USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 666 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 45 MET CE :methyl -176:sc= -1.58 (180deg=-1.16) USER MOD Set 1.2: A 80 MET CE :methyl -179:sc= -1.36 (180deg=-1.22) USER MOD Set 2.1: A 35 CYS SG : rot 7:sc= 0.639 USER MOD Set 2.2: A 69 SER OG : rot 106:sc= 0.848 USER MOD Set 2.3: A 71 THR OG1 : rot 141:sc= 1.44 USER MOD Set 3.1: A 17 LYS NZ :NH3+ 142:sc= 0.576 (180deg=0) USER MOD Set 3.2: A 18 ASN : amide:sc= 0.615 K(o=2.2,f=-5.2!) USER MOD Set 3.3: A 21 LYS NZ :NH3+ -107:sc= 0.965 (180deg=0) USER MOD Set 4.1: A 16 GLN : amide:sc= -2.78 K(o=-5.3,f=-6.3) USER MOD Set 4.2: A 81 MET CE :methyl -164:sc= -2.52! (180deg=-2.93!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.28 X(o=-0.28,f=-7.8e-05) USER MOD Single : A 5 TYR OH : rot 30:sc= -0.412 USER MOD Single : A 6 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0105) USER MOD Single : A 11 GLN : amide:sc= -0.199 X(o=-0.2,f=-0.45) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0723 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= -0.632 USER MOD Single : A 38 THR OG1 : rot 140:sc= -0.334 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.0447) USER MOD Single : A 47 MET CE :methyl -113:sc= -6.67! (180deg=-11.4!) USER MOD Single : A 50 GLN :FLIP amide:sc= -0.264 F(o=-0.91,f=-0.26) USER MOD Single : A 51 ASN : amide:sc= -0.0195 X(o=-0.019,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.331 USER MOD Single : A 58 GLN : amide:sc= -0.545 X(o=-0.54,f=-0.32) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -144:sc= 0 (180deg=-0.52) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.031 1.148 7.456 1.00 0.00 N ATOM 2 CA MET A 1 -6.648 0.790 7.021 1.00 0.00 C ATOM 3 C MET A 1 -6.167 1.795 5.969 1.00 0.00 C ATOM 4 O MET A 1 -5.988 1.455 4.797 1.00 0.00 O ATOM 5 CB MET A 1 -6.651 -0.628 6.434 1.00 0.00 C ATOM 6 CG MET A 1 -5.218 -1.167 6.371 1.00 0.00 C ATOM 7 SD MET A 1 -5.258 -2.963 6.139 1.00 0.00 S ATOM 8 CE MET A 1 -3.480 -3.204 5.904 1.00 0.00 C ATOM 0 H1 MET A 1 -8.358 0.466 8.170 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.030 2.104 7.865 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.670 1.124 6.636 1.00 0.00 H new ATOM 0 HA MET A 1 -5.973 0.821 7.876 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.269 -1.284 7.047 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.089 -0.617 5.436 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.677 -0.696 5.551 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.684 -0.920 7.289 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.275 -4.262 5.741 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.147 -2.632 5.038 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.946 -2.863 6.791 1.00 0.00 H new ATOM 20 N ASN A 2 -5.960 3.043 6.412 1.00 0.00 N ATOM 21 CA ASN A 2 -5.495 4.117 5.525 1.00 0.00 C ATOM 22 C ASN A 2 -6.477 4.336 4.369 1.00 0.00 C ATOM 23 O ASN A 2 -6.369 3.710 3.311 1.00 0.00 O ATOM 24 CB ASN A 2 -4.102 3.798 4.965 1.00 0.00 C ATOM 25 CG ASN A 2 -3.035 4.251 5.960 1.00 0.00 C ATOM 26 OD1 ASN A 2 -2.300 3.429 6.506 1.00 0.00 O ATOM 27 ND2 ASN A 2 -2.902 5.524 6.229 1.00 0.00 N ATOM 0 H ASN A 2 -6.107 3.333 7.379 1.00 0.00 H new ATOM 0 HA ASN A 2 -5.438 5.031 6.116 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -4.010 2.728 4.779 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.959 4.301 4.009 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -2.190 5.834 6.890 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -3.510 6.207 5.777 1.00 0.00 H new ATOM 34 N ASP A 3 -7.440 5.234 4.589 1.00 0.00 N ATOM 35 CA ASP A 3 -8.449 5.539 3.569 1.00 0.00 C ATOM 36 C ASP A 3 -8.099 6.813 2.786 1.00 0.00 C ATOM 37 O ASP A 3 -8.669 7.067 1.723 1.00 0.00 O ATOM 38 CB ASP A 3 -9.825 5.716 4.218 1.00 0.00 C ATOM 39 CG ASP A 3 -10.358 4.357 4.667 1.00 0.00 C ATOM 40 OD1 ASP A 3 -9.942 3.893 5.718 1.00 0.00 O ATOM 41 OD2 ASP A 3 -11.173 3.797 3.951 1.00 0.00 O ATOM 0 H ASP A 3 -7.543 5.760 5.457 1.00 0.00 H new ATOM 0 HA ASP A 3 -8.469 4.699 2.875 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -9.752 6.389 5.072 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -10.516 6.173 3.510 1.00 0.00 H new ATOM 46 N ILE A 4 -7.160 7.612 3.315 1.00 0.00 N ATOM 47 CA ILE A 4 -6.754 8.856 2.644 1.00 0.00 C ATOM 48 C ILE A 4 -6.146 8.570 1.264 1.00 0.00 C ATOM 49 O ILE A 4 -6.262 9.385 0.347 1.00 0.00 O ATOM 50 CB ILE A 4 -5.739 9.641 3.494 1.00 0.00 C ATOM 51 CG1 ILE A 4 -4.499 8.779 3.778 1.00 0.00 C ATOM 52 CG2 ILE A 4 -6.390 10.048 4.820 1.00 0.00 C ATOM 53 CD1 ILE A 4 -3.396 9.125 2.775 1.00 0.00 C ATOM 0 H ILE A 4 -6.674 7.423 4.192 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.653 9.459 2.518 1.00 0.00 H new ATOM 0 HB ILE A 4 -5.433 10.531 2.944 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -4.148 8.952 4.795 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.753 7.722 3.705 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -5.672 10.604 5.422 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -7.259 10.675 4.621 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -6.703 9.155 5.361 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -2.516 8.514 2.976 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.750 8.929 1.763 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.135 10.179 2.870 1.00 0.00 H new ATOM 65 N TYR A 5 -5.510 7.401 1.124 1.00 0.00 N ATOM 66 CA TYR A 5 -4.901 7.012 -0.155 1.00 0.00 C ATOM 67 C TYR A 5 -5.987 6.751 -1.202 1.00 0.00 C ATOM 68 O TYR A 5 -5.799 7.021 -2.389 1.00 0.00 O ATOM 69 CB TYR A 5 -4.053 5.742 0.005 1.00 0.00 C ATOM 70 CG TYR A 5 -2.847 6.035 0.869 1.00 0.00 C ATOM 71 CD1 TYR A 5 -2.935 5.903 2.259 1.00 0.00 C ATOM 72 CD2 TYR A 5 -1.641 6.437 0.280 1.00 0.00 C ATOM 73 CE1 TYR A 5 -1.822 6.173 3.061 1.00 0.00 C ATOM 74 CE2 TYR A 5 -0.526 6.707 1.082 1.00 0.00 C ATOM 75 CZ TYR A 5 -0.617 6.574 2.474 1.00 0.00 C ATOM 76 OH TYR A 5 0.482 6.841 3.265 1.00 0.00 O ATOM 0 H TYR A 5 -5.404 6.714 1.871 1.00 0.00 H new ATOM 0 HA TYR A 5 -4.261 7.832 -0.481 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -4.650 4.950 0.456 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -3.732 5.383 -0.973 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.864 5.592 2.713 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -1.572 6.539 -0.793 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.892 6.072 4.134 1.00 0.00 H new ATOM 0 HE2 TYR A 5 0.404 7.018 0.628 1.00 0.00 H new ATOM 0 HH TYR A 5 0.446 6.288 4.073 1.00 0.00 H new ATOM 86 N LYS A 6 -7.128 6.224 -0.739 1.00 0.00 N ATOM 87 CA LYS A 6 -8.254 5.927 -1.630 1.00 0.00 C ATOM 88 C LYS A 6 -8.944 7.212 -2.109 1.00 0.00 C ATOM 89 O LYS A 6 -9.646 7.207 -3.121 1.00 0.00 O ATOM 90 CB LYS A 6 -9.284 5.043 -0.917 1.00 0.00 C ATOM 91 CG LYS A 6 -9.197 3.613 -1.461 1.00 0.00 C ATOM 92 CD LYS A 6 -8.051 2.865 -0.771 1.00 0.00 C ATOM 93 CE LYS A 6 -7.207 2.130 -1.819 1.00 0.00 C ATOM 94 NZ LYS A 6 -7.970 0.965 -2.356 1.00 0.00 N ATOM 0 H LYS A 6 -7.294 5.996 0.241 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.852 5.400 -2.495 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.100 5.046 0.157 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.287 5.441 -1.069 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.139 3.091 -1.291 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.034 3.633 -2.539 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.428 3.567 -0.216 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.451 2.154 -0.049 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.945 2.810 -2.630 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.272 1.790 -1.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.369 0.431 -3.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.257 0.347 -1.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.816 1.305 -2.856 1.00 0.00 H new ATOM 108 N ALA A 7 -8.740 8.312 -1.377 1.00 0.00 N ATOM 109 CA ALA A 7 -9.347 9.594 -1.747 1.00 0.00 C ATOM 110 C ALA A 7 -8.801 10.095 -3.091 1.00 0.00 C ATOM 111 O ALA A 7 -9.516 10.751 -3.850 1.00 0.00 O ATOM 112 CB ALA A 7 -9.066 10.649 -0.673 1.00 0.00 C ATOM 0 H ALA A 7 -8.166 8.341 -0.534 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.422 9.435 -1.835 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.524 11.595 -0.963 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.485 10.320 0.278 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.989 10.784 -0.568 1.00 0.00 H new ATOM 118 N ALA A 8 -7.529 9.779 -3.375 1.00 0.00 N ATOM 119 CA ALA A 8 -6.901 10.206 -4.630 1.00 0.00 C ATOM 120 C ALA A 8 -7.424 9.387 -5.807 1.00 0.00 C ATOM 121 O ALA A 8 -7.758 9.938 -6.857 1.00 0.00 O ATOM 122 CB ALA A 8 -5.379 10.052 -4.553 1.00 0.00 C ATOM 0 H ALA A 8 -6.923 9.236 -2.760 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.153 11.255 -4.782 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.933 10.374 -5.494 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.992 10.665 -3.739 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.128 9.007 -4.371 1.00 0.00 H new ATOM 128 N VAL A 9 -7.501 8.066 -5.618 1.00 0.00 N ATOM 129 CA VAL A 9 -7.999 7.178 -6.671 1.00 0.00 C ATOM 130 C VAL A 9 -9.494 7.425 -6.928 1.00 0.00 C ATOM 131 O VAL A 9 -10.010 7.115 -8.004 1.00 0.00 O ATOM 132 CB VAL A 9 -7.761 5.708 -6.289 1.00 0.00 C ATOM 133 CG1 VAL A 9 -8.691 5.294 -5.146 1.00 0.00 C ATOM 134 CG2 VAL A 9 -8.017 4.812 -7.506 1.00 0.00 C ATOM 0 H VAL A 9 -7.228 7.593 -4.756 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.451 7.395 -7.588 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.728 5.596 -5.960 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.509 4.251 -4.889 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.499 5.921 -4.276 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -9.728 5.415 -5.459 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.848 3.770 -7.233 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.047 4.937 -7.839 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.338 5.091 -8.312 1.00 0.00 H new ATOM 144 N GLU A 10 -10.181 7.996 -5.930 1.00 0.00 N ATOM 145 CA GLU A 10 -11.607 8.295 -6.060 1.00 0.00 C ATOM 146 C GLU A 10 -11.835 9.618 -6.806 1.00 0.00 C ATOM 147 O GLU A 10 -12.930 9.864 -7.315 1.00 0.00 O ATOM 148 CB GLU A 10 -12.260 8.385 -4.677 1.00 0.00 C ATOM 149 CG GLU A 10 -12.607 6.978 -4.183 1.00 0.00 C ATOM 150 CD GLU A 10 -13.108 7.047 -2.744 1.00 0.00 C ATOM 151 OE1 GLU A 10 -12.286 6.959 -1.844 1.00 0.00 O ATOM 152 OE2 GLU A 10 -14.307 7.187 -2.561 1.00 0.00 O ATOM 0 H GLU A 10 -9.774 8.257 -5.032 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.060 7.485 -6.632 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.583 8.872 -3.975 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -13.161 8.997 -4.728 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.370 6.535 -4.823 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.729 6.335 -4.242 1.00 0.00 H new ATOM 159 N GLN A 11 -10.799 10.472 -6.861 1.00 0.00 N ATOM 160 CA GLN A 11 -10.924 11.767 -7.542 1.00 0.00 C ATOM 161 C GLN A 11 -9.822 11.969 -8.596 1.00 0.00 C ATOM 162 O GLN A 11 -9.471 13.104 -8.929 1.00 0.00 O ATOM 163 CB GLN A 11 -10.870 12.914 -6.519 1.00 0.00 C ATOM 164 CG GLN A 11 -9.458 13.034 -5.925 1.00 0.00 C ATOM 165 CD GLN A 11 -9.511 13.807 -4.607 1.00 0.00 C ATOM 166 OE1 GLN A 11 -10.389 14.647 -4.401 1.00 0.00 O ATOM 167 NE2 GLN A 11 -8.610 13.574 -3.689 1.00 0.00 N ATOM 0 H GLN A 11 -9.883 10.292 -6.450 1.00 0.00 H new ATOM 0 HA GLN A 11 -11.887 11.772 -8.053 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -11.151 13.852 -6.999 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -11.593 12.734 -5.723 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -9.039 12.042 -5.758 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.800 13.543 -6.629 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -7.881 12.880 -3.854 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -8.636 14.086 -2.807 1.00 0.00 H new ATOM 176 N LEU A 12 -9.288 10.864 -9.128 1.00 0.00 N ATOM 177 CA LEU A 12 -8.238 10.955 -10.150 1.00 0.00 C ATOM 178 C LEU A 12 -8.843 11.258 -11.525 1.00 0.00 C ATOM 179 O LEU A 12 -10.061 11.399 -11.665 1.00 0.00 O ATOM 180 CB LEU A 12 -7.414 9.657 -10.232 1.00 0.00 C ATOM 181 CG LEU A 12 -8.184 8.339 -10.076 1.00 0.00 C ATOM 182 CD1 LEU A 12 -9.426 8.338 -10.971 1.00 0.00 C ATOM 183 CD2 LEU A 12 -7.269 7.178 -10.475 1.00 0.00 C ATOM 0 H LEU A 12 -9.558 9.914 -8.875 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.576 11.770 -9.857 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.902 9.640 -11.194 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.644 9.694 -9.462 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.500 8.229 -9.038 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -9.962 7.396 -10.849 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.078 9.165 -10.690 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.124 8.452 -12.012 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.808 6.237 -10.367 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.957 7.301 -11.512 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.390 7.169 -9.830 1.00 0.00 H new ATOM 195 N THR A 13 -7.977 11.355 -12.537 1.00 0.00 N ATOM 196 CA THR A 13 -8.430 11.640 -13.901 1.00 0.00 C ATOM 197 C THR A 13 -8.465 10.365 -14.735 1.00 0.00 C ATOM 198 O THR A 13 -7.926 9.330 -14.340 1.00 0.00 O ATOM 199 CB THR A 13 -7.497 12.644 -14.600 1.00 0.00 C ATOM 200 OG1 THR A 13 -6.236 12.676 -13.943 1.00 0.00 O ATOM 201 CG2 THR A 13 -8.123 14.037 -14.579 1.00 0.00 C ATOM 0 H THR A 13 -6.968 11.242 -12.440 1.00 0.00 H new ATOM 0 HA THR A 13 -9.431 12.064 -13.822 1.00 0.00 H new ATOM 0 HB THR A 13 -7.353 12.331 -15.634 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.648 13.316 -14.395 1.00 0.00 H new ATOM 0 HG21 THR A 13 -7.457 14.743 -15.076 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.080 14.014 -15.100 1.00 0.00 H new ATOM 0 HG23 THR A 13 -8.279 14.350 -13.547 1.00 0.00 H new ATOM 209 N ASP A 14 -9.085 10.469 -15.912 1.00 0.00 N ATOM 210 CA ASP A 14 -9.165 9.332 -16.825 1.00 0.00 C ATOM 211 C ASP A 14 -7.772 9.011 -17.358 1.00 0.00 C ATOM 212 O ASP A 14 -7.429 7.850 -17.564 1.00 0.00 O ATOM 213 CB ASP A 14 -10.095 9.637 -18.004 1.00 0.00 C ATOM 214 CG ASP A 14 -11.535 9.309 -17.616 1.00 0.00 C ATOM 215 OD1 ASP A 14 -12.185 10.170 -17.045 1.00 0.00 O ATOM 216 OD2 ASP A 14 -11.966 8.202 -17.897 1.00 0.00 O ATOM 0 H ASP A 14 -9.534 11.320 -16.251 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.566 8.480 -16.277 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.013 10.687 -18.283 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -9.800 9.052 -18.875 1.00 0.00 H new ATOM 221 N GLU A 15 -6.963 10.059 -17.557 1.00 0.00 N ATOM 222 CA GLU A 15 -5.596 9.880 -18.045 1.00 0.00 C ATOM 223 C GLU A 15 -4.727 9.223 -16.967 1.00 0.00 C ATOM 224 O GLU A 15 -3.811 8.459 -17.276 1.00 0.00 O ATOM 225 CB GLU A 15 -4.979 11.228 -18.435 1.00 0.00 C ATOM 226 CG GLU A 15 -5.596 11.716 -19.751 1.00 0.00 C ATOM 227 CD GLU A 15 -4.968 10.968 -20.926 1.00 0.00 C ATOM 228 OE1 GLU A 15 -3.943 11.421 -21.410 1.00 0.00 O ATOM 229 OE2 GLU A 15 -5.520 9.955 -21.323 1.00 0.00 O ATOM 0 H GLU A 15 -7.230 11.029 -17.389 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.635 9.236 -18.924 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.153 11.960 -17.647 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.899 11.127 -18.544 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.674 11.555 -19.740 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.435 12.788 -19.863 1.00 0.00 H new ATOM 236 N GLN A 16 -5.036 9.524 -15.697 1.00 0.00 N ATOM 237 CA GLN A 16 -4.290 8.955 -14.573 1.00 0.00 C ATOM 238 C GLN A 16 -4.517 7.447 -14.482 1.00 0.00 C ATOM 239 O GLN A 16 -3.563 6.672 -14.384 1.00 0.00 O ATOM 240 CB GLN A 16 -4.725 9.604 -13.256 1.00 0.00 C ATOM 241 CG GLN A 16 -3.640 9.395 -12.197 1.00 0.00 C ATOM 242 CD GLN A 16 -4.236 9.595 -10.808 1.00 0.00 C ATOM 243 OE1 GLN A 16 -4.349 8.645 -10.032 1.00 0.00 O ATOM 244 NE2 GLN A 16 -4.631 10.785 -10.444 1.00 0.00 N ATOM 0 H GLN A 16 -5.792 10.154 -15.427 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.231 9.151 -14.744 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.901 10.669 -13.405 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.666 9.169 -12.918 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.222 8.392 -12.283 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.821 10.097 -12.357 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.538 11.572 -11.086 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.033 10.928 -9.517 1.00 0.00 H new ATOM 253 N LYS A 17 -5.790 7.035 -14.518 1.00 0.00 N ATOM 254 CA LYS A 17 -6.118 5.610 -14.443 1.00 0.00 C ATOM 255 C LYS A 17 -5.764 4.908 -15.757 1.00 0.00 C ATOM 256 O LYS A 17 -5.406 3.734 -15.758 1.00 0.00 O ATOM 257 CB LYS A 17 -7.605 5.382 -14.103 1.00 0.00 C ATOM 258 CG LYS A 17 -8.520 6.169 -15.051 1.00 0.00 C ATOM 259 CD LYS A 17 -8.743 5.371 -16.337 1.00 0.00 C ATOM 260 CE LYS A 17 -10.227 5.395 -16.716 1.00 0.00 C ATOM 261 NZ LYS A 17 -10.363 5.523 -18.196 1.00 0.00 N ATOM 0 H LYS A 17 -6.595 7.656 -14.597 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.523 5.181 -13.637 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.837 4.319 -14.169 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.796 5.686 -13.074 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.475 6.369 -14.566 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.072 7.135 -15.285 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -8.146 5.793 -17.145 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.411 4.342 -16.199 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.715 4.483 -16.373 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.726 6.228 -16.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.160 4.941 -18.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.536 6.518 -18.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.487 5.200 -18.654 1.00 0.00 H new ATOM 275 N ASN A 18 -5.845 5.645 -16.874 1.00 0.00 N ATOM 276 CA ASN A 18 -5.507 5.074 -18.183 1.00 0.00 C ATOM 277 C ASN A 18 -4.017 4.737 -18.246 1.00 0.00 C ATOM 278 O ASN A 18 -3.620 3.764 -18.889 1.00 0.00 O ATOM 279 CB ASN A 18 -5.839 6.056 -19.314 1.00 0.00 C ATOM 280 CG ASN A 18 -7.291 5.872 -19.757 1.00 0.00 C ATOM 281 OD1 ASN A 18 -7.841 4.774 -19.675 1.00 0.00 O ATOM 282 ND2 ASN A 18 -7.951 6.895 -20.230 1.00 0.00 N ATOM 0 H ASN A 18 -6.137 6.622 -16.898 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.099 4.167 -18.310 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -5.680 7.080 -18.976 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.169 5.892 -20.158 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -8.919 6.783 -20.530 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -7.498 7.806 -20.299 1.00 0.00 H new ATOM 289 N GLU A 19 -3.201 5.551 -17.564 1.00 0.00 N ATOM 290 CA GLU A 19 -1.754 5.335 -17.532 1.00 0.00 C ATOM 291 C GLU A 19 -1.437 3.933 -17.006 1.00 0.00 C ATOM 292 O GLU A 19 -0.641 3.201 -17.597 1.00 0.00 O ATOM 293 CB GLU A 19 -1.081 6.378 -16.632 1.00 0.00 C ATOM 294 CG GLU A 19 0.441 6.238 -16.722 1.00 0.00 C ATOM 295 CD GLU A 19 1.105 7.303 -15.850 1.00 0.00 C ATOM 296 OE1 GLU A 19 0.945 7.237 -14.641 1.00 0.00 O ATOM 297 OE2 GLU A 19 1.765 8.165 -16.403 1.00 0.00 O ATOM 0 H GLU A 19 -3.519 6.360 -17.031 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.371 5.433 -18.548 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.381 7.381 -16.935 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.407 6.246 -15.600 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.745 5.244 -16.395 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.766 6.346 -17.757 1.00 0.00 H new ATOM 304 N PHE A 20 -2.074 3.570 -15.889 1.00 0.00 N ATOM 305 CA PHE A 20 -1.861 2.253 -15.286 1.00 0.00 C ATOM 306 C PHE A 20 -2.704 1.188 -15.990 1.00 0.00 C ATOM 307 O PHE A 20 -2.217 0.101 -16.286 1.00 0.00 O ATOM 308 CB PHE A 20 -2.243 2.276 -13.805 1.00 0.00 C ATOM 309 CG PHE A 20 -1.113 2.862 -12.993 1.00 0.00 C ATOM 310 CD1 PHE A 20 -0.101 2.028 -12.500 1.00 0.00 C ATOM 311 CD2 PHE A 20 -1.079 4.235 -12.725 1.00 0.00 C ATOM 312 CE1 PHE A 20 0.941 2.564 -11.740 1.00 0.00 C ATOM 313 CE2 PHE A 20 -0.037 4.773 -11.964 1.00 0.00 C ATOM 314 CZ PHE A 20 0.974 3.938 -11.469 1.00 0.00 C ATOM 0 H PHE A 20 -2.735 4.164 -15.388 1.00 0.00 H new ATOM 0 HA PHE A 20 -0.804 2.009 -15.393 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.149 2.866 -13.663 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.464 1.265 -13.461 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -0.127 0.969 -12.708 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.858 4.879 -13.106 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.721 1.920 -11.362 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.011 5.833 -11.757 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.778 4.353 -10.879 1.00 0.00 H new ATOM 324 N LYS A 21 -3.976 1.518 -16.242 1.00 0.00 N ATOM 325 CA LYS A 21 -4.902 0.588 -16.904 1.00 0.00 C ATOM 326 C LYS A 21 -4.317 0.054 -18.216 1.00 0.00 C ATOM 327 O LYS A 21 -4.565 -1.092 -18.587 1.00 0.00 O ATOM 328 CB LYS A 21 -6.240 1.281 -17.186 1.00 0.00 C ATOM 329 CG LYS A 21 -7.238 0.276 -17.772 1.00 0.00 C ATOM 330 CD LYS A 21 -7.470 0.586 -19.253 1.00 0.00 C ATOM 331 CE LYS A 21 -8.662 1.536 -19.399 1.00 0.00 C ATOM 332 NZ LYS A 21 -8.592 2.229 -20.718 1.00 0.00 N ATOM 0 H LYS A 21 -4.388 2.419 -15.999 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.061 -0.254 -16.230 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.639 1.708 -16.266 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.092 2.107 -17.882 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.857 -0.739 -17.658 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.181 0.325 -17.228 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.577 1.038 -19.684 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.658 -0.336 -19.803 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.596 0.979 -19.319 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.657 2.268 -18.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.315 3.221 -20.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.888 1.757 -21.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.523 2.193 -21.179 1.00 0.00 H new ATOM 346 N ALA A 22 -3.534 0.889 -18.910 1.00 0.00 N ATOM 347 CA ALA A 22 -2.913 0.471 -20.172 1.00 0.00 C ATOM 348 C ALA A 22 -2.021 -0.747 -19.936 1.00 0.00 C ATOM 349 O ALA A 22 -2.192 -1.791 -20.570 1.00 0.00 O ATOM 350 CB ALA A 22 -2.068 1.604 -20.756 1.00 0.00 C ATOM 0 H ALA A 22 -3.318 1.844 -18.624 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.706 0.217 -20.875 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.615 1.275 -21.692 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.702 2.471 -20.944 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.284 1.875 -20.049 1.00 0.00 H new ATOM 356 N ALA A 23 -1.083 -0.602 -18.995 1.00 0.00 N ATOM 357 CA ALA A 23 -0.173 -1.693 -18.644 1.00 0.00 C ATOM 358 C ALA A 23 -0.955 -2.827 -17.982 1.00 0.00 C ATOM 359 O ALA A 23 -0.673 -4.004 -18.197 1.00 0.00 O ATOM 360 CB ALA A 23 0.907 -1.200 -17.675 1.00 0.00 C ATOM 0 H ALA A 23 -0.935 0.257 -18.465 1.00 0.00 H new ATOM 0 HA ALA A 23 0.301 -2.053 -19.557 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.575 -2.024 -17.425 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.479 -0.399 -18.144 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.437 -0.825 -16.766 1.00 0.00 H new ATOM 366 N PHE A 24 -1.951 -2.447 -17.178 1.00 0.00 N ATOM 367 CA PHE A 24 -2.792 -3.422 -16.480 1.00 0.00 C ATOM 368 C PHE A 24 -3.495 -4.348 -17.477 1.00 0.00 C ATOM 369 O PHE A 24 -3.563 -5.558 -17.269 1.00 0.00 O ATOM 370 CB PHE A 24 -3.854 -2.696 -15.643 1.00 0.00 C ATOM 371 CG PHE A 24 -4.408 -3.628 -14.592 1.00 0.00 C ATOM 372 CD1 PHE A 24 -5.316 -4.632 -14.949 1.00 0.00 C ATOM 373 CD2 PHE A 24 -4.014 -3.486 -13.258 1.00 0.00 C ATOM 374 CE1 PHE A 24 -5.826 -5.493 -13.972 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.524 -4.347 -12.284 1.00 0.00 C ATOM 376 CZ PHE A 24 -5.429 -5.350 -12.642 1.00 0.00 C ATOM 0 H PHE A 24 -2.194 -1.474 -16.995 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.149 -4.017 -15.831 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.417 -1.818 -15.168 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.658 -2.343 -16.288 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.623 -4.742 -15.979 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.315 -2.710 -12.981 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.526 -6.268 -14.247 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.219 -4.238 -11.254 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.822 -6.016 -11.888 1.00 0.00 H new ATOM 386 N ASP A 25 -4.029 -3.758 -18.551 1.00 0.00 N ATOM 387 CA ASP A 25 -4.748 -4.527 -19.571 1.00 0.00 C ATOM 388 C ASP A 25 -3.838 -5.544 -20.266 1.00 0.00 C ATOM 389 O ASP A 25 -4.218 -6.703 -20.442 1.00 0.00 O ATOM 390 CB ASP A 25 -5.336 -3.586 -20.630 1.00 0.00 C ATOM 391 CG ASP A 25 -6.610 -4.198 -21.208 1.00 0.00 C ATOM 392 OD1 ASP A 25 -6.503 -4.944 -22.167 1.00 0.00 O ATOM 393 OD2 ASP A 25 -7.673 -3.911 -20.681 1.00 0.00 O ATOM 0 H ASP A 25 -3.977 -2.756 -18.736 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.546 -5.066 -19.061 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.556 -2.615 -20.186 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.609 -3.416 -21.424 1.00 0.00 H new ATOM 398 N ILE A 26 -2.647 -5.097 -20.675 1.00 0.00 N ATOM 399 CA ILE A 26 -1.706 -5.985 -21.373 1.00 0.00 C ATOM 400 C ILE A 26 -1.156 -7.075 -20.442 1.00 0.00 C ATOM 401 O ILE A 26 -1.008 -8.227 -20.853 1.00 0.00 O ATOM 402 CB ILE A 26 -0.540 -5.194 -21.988 1.00 0.00 C ATOM 403 CG1 ILE A 26 0.160 -4.354 -20.911 1.00 0.00 C ATOM 404 CG2 ILE A 26 -1.079 -4.269 -23.083 1.00 0.00 C ATOM 405 CD1 ILE A 26 1.364 -3.630 -21.517 1.00 0.00 C ATOM 0 H ILE A 26 -2.313 -4.143 -20.539 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.267 -6.466 -22.174 1.00 0.00 H new ATOM 0 HB ILE A 26 0.179 -5.894 -22.413 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.538 -3.629 -20.492 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.485 -4.995 -20.091 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.255 -3.706 -23.522 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.564 -4.865 -23.856 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.802 -3.577 -22.651 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.856 -3.036 -20.747 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.067 -4.362 -21.915 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.028 -2.976 -22.321 1.00 0.00 H new ATOM 417 N PHE A 27 -0.858 -6.708 -19.190 1.00 0.00 N ATOM 418 CA PHE A 27 -0.328 -7.683 -18.227 1.00 0.00 C ATOM 419 C PHE A 27 -1.425 -8.648 -17.759 1.00 0.00 C ATOM 420 O PHE A 27 -1.151 -9.816 -17.476 1.00 0.00 O ATOM 421 CB PHE A 27 0.282 -6.978 -17.006 1.00 0.00 C ATOM 422 CG PHE A 27 1.545 -6.247 -17.416 1.00 0.00 C ATOM 423 CD1 PHE A 27 2.531 -6.904 -18.165 1.00 0.00 C ATOM 424 CD2 PHE A 27 1.721 -4.907 -17.056 1.00 0.00 C ATOM 425 CE1 PHE A 27 3.688 -6.219 -18.553 1.00 0.00 C ATOM 426 CE2 PHE A 27 2.880 -4.225 -17.442 1.00 0.00 C ATOM 427 CZ PHE A 27 3.861 -4.881 -18.192 1.00 0.00 C ATOM 0 H PHE A 27 -0.971 -5.763 -18.824 1.00 0.00 H new ATOM 0 HA PHE A 27 0.451 -8.249 -18.737 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.436 -6.275 -16.584 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.509 -7.707 -16.228 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.398 -7.939 -18.443 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.962 -4.399 -16.480 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.447 -6.725 -19.131 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.017 -3.191 -17.161 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.754 -4.352 -18.492 1.00 0.00 H new ATOM 437 N ILE A 28 -2.668 -8.154 -17.694 1.00 0.00 N ATOM 438 CA ILE A 28 -3.799 -8.986 -17.272 1.00 0.00 C ATOM 439 C ILE A 28 -4.616 -9.425 -18.507 1.00 0.00 C ATOM 440 O ILE A 28 -5.844 -9.528 -18.480 1.00 0.00 O ATOM 441 CB ILE A 28 -4.655 -8.206 -16.245 1.00 0.00 C ATOM 442 CG1 ILE A 28 -5.224 -9.175 -15.198 1.00 0.00 C ATOM 443 CG2 ILE A 28 -5.794 -7.421 -16.915 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.312 -10.057 -15.812 1.00 0.00 C ATOM 0 H ILE A 28 -2.913 -7.192 -17.926 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.441 -9.893 -16.784 1.00 0.00 H new ATOM 0 HB ILE A 28 -4.005 -7.479 -15.759 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.424 -9.800 -14.801 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.635 -8.612 -14.360 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.367 -6.890 -16.154 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.375 -6.703 -17.621 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.449 -8.112 -17.446 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.701 -10.736 -15.053 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.121 -9.429 -16.187 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.891 -10.635 -16.634 1.00 0.00 H new ATOM 456 N GLN A 29 -3.894 -9.697 -19.598 1.00 0.00 N ATOM 457 CA GLN A 29 -4.518 -10.130 -20.850 1.00 0.00 C ATOM 458 C GLN A 29 -4.905 -11.608 -20.778 1.00 0.00 C ATOM 459 O GLN A 29 -6.052 -11.975 -21.038 1.00 0.00 O ATOM 460 CB GLN A 29 -3.550 -9.922 -22.022 1.00 0.00 C ATOM 461 CG GLN A 29 -4.273 -10.188 -23.344 1.00 0.00 C ATOM 462 CD GLN A 29 -3.360 -9.809 -24.506 1.00 0.00 C ATOM 463 OE1 GLN A 29 -2.925 -10.672 -25.268 1.00 0.00 O ATOM 464 NE2 GLN A 29 -3.040 -8.555 -24.690 1.00 0.00 N ATOM 0 H GLN A 29 -2.877 -9.625 -19.639 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.416 -9.532 -21.004 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.161 -8.904 -22.008 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.695 -10.591 -21.923 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.551 -11.240 -23.414 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.196 -9.610 -23.389 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.400 -7.839 -24.059 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.430 -8.293 -25.465 1.00 0.00 H new ATOM 473 N ASP A 30 -3.929 -12.450 -20.425 1.00 0.00 N ATOM 474 CA ASP A 30 -4.167 -13.891 -20.323 1.00 0.00 C ATOM 475 C ASP A 30 -4.623 -14.297 -18.912 1.00 0.00 C ATOM 476 O ASP A 30 -4.889 -15.474 -18.660 1.00 0.00 O ATOM 477 CB ASP A 30 -2.890 -14.664 -20.679 1.00 0.00 C ATOM 478 CG ASP A 30 -2.636 -14.573 -22.183 1.00 0.00 C ATOM 479 OD1 ASP A 30 -2.132 -13.550 -22.620 1.00 0.00 O ATOM 480 OD2 ASP A 30 -2.946 -15.529 -22.874 1.00 0.00 O ATOM 0 H ASP A 30 -2.975 -12.161 -20.207 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.963 -14.138 -21.026 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.041 -14.255 -20.132 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.989 -15.707 -20.380 1.00 0.00 H new ATOM 485 N ALA A 31 -4.726 -13.320 -17.995 1.00 0.00 N ATOM 486 CA ALA A 31 -5.164 -13.614 -16.631 1.00 0.00 C ATOM 487 C ALA A 31 -6.677 -13.468 -16.514 1.00 0.00 C ATOM 488 O ALA A 31 -7.301 -12.670 -17.218 1.00 0.00 O ATOM 489 CB ALA A 31 -4.495 -12.677 -15.621 1.00 0.00 C ATOM 0 H ALA A 31 -4.515 -12.338 -18.174 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.874 -14.641 -16.409 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.840 -12.919 -14.616 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.413 -12.799 -15.673 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.755 -11.645 -15.855 1.00 0.00 H new ATOM 495 N GLU A 32 -7.251 -14.250 -15.605 1.00 0.00 N ATOM 496 CA GLU A 32 -8.696 -14.221 -15.370 1.00 0.00 C ATOM 497 C GLU A 32 -8.973 -14.004 -13.881 1.00 0.00 C ATOM 498 O GLU A 32 -9.798 -14.691 -13.272 1.00 0.00 O ATOM 499 CB GLU A 32 -9.344 -15.533 -15.831 1.00 0.00 C ATOM 500 CG GLU A 32 -9.380 -15.580 -17.362 1.00 0.00 C ATOM 501 CD GLU A 32 -9.148 -17.011 -17.838 1.00 0.00 C ATOM 502 OE1 GLU A 32 -7.999 -17.370 -18.036 1.00 0.00 O ATOM 503 OE2 GLU A 32 -10.124 -17.727 -18.000 1.00 0.00 O ATOM 0 H GLU A 32 -6.742 -14.911 -15.019 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.125 -13.400 -15.944 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.782 -16.383 -15.444 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.355 -15.611 -15.431 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.342 -15.218 -17.724 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.616 -14.921 -17.774 1.00 0.00 H new ATOM 510 N ASP A 33 -8.255 -13.039 -13.302 1.00 0.00 N ATOM 511 CA ASP A 33 -8.401 -12.723 -11.878 1.00 0.00 C ATOM 512 C ASP A 33 -8.713 -11.237 -11.675 1.00 0.00 C ATOM 513 O ASP A 33 -9.591 -10.880 -10.886 1.00 0.00 O ATOM 514 CB ASP A 33 -7.119 -13.079 -11.101 1.00 0.00 C ATOM 515 CG ASP A 33 -5.895 -13.016 -12.020 1.00 0.00 C ATOM 516 OD1 ASP A 33 -5.485 -11.918 -12.362 1.00 0.00 O ATOM 517 OD2 ASP A 33 -5.390 -14.070 -12.370 1.00 0.00 O ATOM 0 H ASP A 33 -7.570 -12.465 -13.794 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.230 -13.319 -11.497 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.990 -12.389 -10.267 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.211 -14.079 -10.677 1.00 0.00 H new ATOM 522 N GLY A 34 -7.979 -10.379 -12.389 1.00 0.00 N ATOM 523 CA GLY A 34 -8.172 -8.932 -12.281 1.00 0.00 C ATOM 524 C GLY A 34 -7.009 -8.281 -11.532 1.00 0.00 C ATOM 525 O GLY A 34 -7.203 -7.341 -10.759 1.00 0.00 O ATOM 0 H GLY A 34 -7.250 -10.660 -13.044 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.257 -8.497 -13.277 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.107 -8.724 -11.761 1.00 0.00 H new ATOM 529 N CYS A 35 -5.796 -8.795 -11.770 1.00 0.00 N ATOM 530 CA CYS A 35 -4.599 -8.266 -11.115 1.00 0.00 C ATOM 531 C CYS A 35 -3.343 -8.670 -11.887 1.00 0.00 C ATOM 532 O CYS A 35 -3.289 -9.744 -12.493 1.00 0.00 O ATOM 533 CB CYS A 35 -4.495 -8.786 -9.678 1.00 0.00 C ATOM 534 SG CYS A 35 -4.876 -10.556 -9.633 1.00 0.00 S ATOM 0 H CYS A 35 -5.620 -9.572 -12.408 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.680 -7.179 -11.099 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.491 -8.611 -9.291 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.185 -8.240 -9.034 1.00 0.00 H new ATOM 0 HG CYS A 35 -5.005 -11.003 -10.847 1.00 0.00 H new ATOM 540 N ILE A 36 -2.331 -7.799 -11.852 1.00 0.00 N ATOM 541 CA ILE A 36 -1.070 -8.075 -12.548 1.00 0.00 C ATOM 542 C ILE A 36 -0.119 -8.845 -11.629 1.00 0.00 C ATOM 543 O ILE A 36 -0.456 -9.145 -10.484 1.00 0.00 O ATOM 544 CB ILE A 36 -0.396 -6.769 -13.016 1.00 0.00 C ATOM 545 CG1 ILE A 36 0.124 -5.976 -11.808 1.00 0.00 C ATOM 546 CG2 ILE A 36 -1.405 -5.914 -13.791 1.00 0.00 C ATOM 547 CD1 ILE A 36 1.652 -6.081 -11.745 1.00 0.00 C ATOM 0 H ILE A 36 -2.358 -6.908 -11.356 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.296 -8.680 -13.426 1.00 0.00 H new ATOM 0 HB ILE A 36 0.443 -7.021 -13.664 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.176 -4.931 -11.889 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.316 -6.363 -10.889 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.924 -4.992 -14.120 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.760 -6.468 -14.660 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.249 -5.673 -13.145 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.020 -5.518 -10.887 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.941 -7.127 -11.644 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.083 -5.673 -12.659 1.00 0.00 H new ATOM 559 N SER A 37 1.069 -9.166 -12.143 1.00 0.00 N ATOM 560 CA SER A 37 2.055 -9.907 -11.357 1.00 0.00 C ATOM 561 C SER A 37 2.992 -8.949 -10.619 1.00 0.00 C ATOM 562 O SER A 37 3.811 -8.267 -11.237 1.00 0.00 O ATOM 563 CB SER A 37 2.884 -10.821 -12.266 1.00 0.00 C ATOM 564 OG SER A 37 3.091 -12.068 -11.619 1.00 0.00 O ATOM 0 H SER A 37 1.369 -8.928 -13.088 1.00 0.00 H new ATOM 0 HA SER A 37 1.516 -10.511 -10.627 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.369 -10.972 -13.215 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.842 -10.354 -12.494 1.00 0.00 H new ATOM 0 HG SER A 37 3.620 -12.654 -12.200 1.00 0.00 H new ATOM 570 N THR A 38 2.863 -8.912 -9.286 1.00 0.00 N ATOM 571 CA THR A 38 3.712 -8.044 -8.454 1.00 0.00 C ATOM 572 C THR A 38 5.190 -8.331 -8.725 1.00 0.00 C ATOM 573 O THR A 38 6.010 -7.416 -8.795 1.00 0.00 O ATOM 574 CB THR A 38 3.444 -8.264 -6.958 1.00 0.00 C ATOM 575 OG1 THR A 38 3.641 -9.633 -6.633 1.00 0.00 O ATOM 576 CG2 THR A 38 2.010 -7.861 -6.623 1.00 0.00 C ATOM 0 H THR A 38 2.186 -9.467 -8.763 1.00 0.00 H new ATOM 0 HA THR A 38 3.471 -7.013 -8.714 1.00 0.00 H new ATOM 0 HB THR A 38 4.134 -7.651 -6.378 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.093 -9.702 -5.766 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.826 -8.020 -5.560 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.862 -6.808 -6.864 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.316 -8.467 -7.205 1.00 0.00 H new ATOM 584 N LYS A 39 5.512 -9.618 -8.884 1.00 0.00 N ATOM 585 CA LYS A 39 6.893 -10.026 -9.163 1.00 0.00 C ATOM 586 C LYS A 39 7.370 -9.451 -10.503 1.00 0.00 C ATOM 587 O LYS A 39 8.562 -9.208 -10.694 1.00 0.00 O ATOM 588 CB LYS A 39 7.024 -11.557 -9.188 1.00 0.00 C ATOM 589 CG LYS A 39 5.996 -12.168 -10.152 1.00 0.00 C ATOM 590 CD LYS A 39 5.062 -13.108 -9.382 1.00 0.00 C ATOM 591 CE LYS A 39 5.751 -14.461 -9.172 1.00 0.00 C ATOM 592 NZ LYS A 39 5.410 -15.378 -10.297 1.00 0.00 N ATOM 0 H LYS A 39 4.845 -10.387 -8.825 1.00 0.00 H new ATOM 0 HA LYS A 39 7.518 -9.633 -8.361 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.031 -11.837 -9.496 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.874 -11.957 -8.185 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.418 -11.378 -10.632 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.506 -12.715 -10.944 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.801 -12.669 -8.419 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.132 -13.244 -9.933 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.831 -14.325 -9.115 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.435 -14.898 -8.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.879 -16.295 -10.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.380 -15.517 -10.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.733 -14.962 -11.194 1.00 0.00 H new ATOM 606 N GLU A 40 6.419 -9.223 -11.422 1.00 0.00 N ATOM 607 CA GLU A 40 6.745 -8.662 -12.734 1.00 0.00 C ATOM 608 C GLU A 40 6.316 -7.189 -12.817 1.00 0.00 C ATOM 609 O GLU A 40 6.085 -6.662 -13.910 1.00 0.00 O ATOM 610 CB GLU A 40 6.042 -9.451 -13.844 1.00 0.00 C ATOM 611 CG GLU A 40 6.473 -10.920 -13.792 1.00 0.00 C ATOM 612 CD GLU A 40 5.772 -11.696 -14.903 1.00 0.00 C ATOM 613 OE1 GLU A 40 6.305 -11.735 -16.001 1.00 0.00 O ATOM 614 OE2 GLU A 40 4.712 -12.242 -14.640 1.00 0.00 O ATOM 0 H GLU A 40 5.428 -9.418 -11.279 1.00 0.00 H new ATOM 0 HA GLU A 40 7.825 -8.730 -12.867 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.961 -9.376 -13.727 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.288 -9.025 -14.817 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.554 -10.997 -13.907 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.224 -11.349 -12.821 1.00 0.00 H new ATOM 621 N LEU A 41 6.218 -6.526 -11.653 1.00 0.00 N ATOM 622 CA LEU A 41 5.823 -5.112 -11.611 1.00 0.00 C ATOM 623 C LEU A 41 6.843 -4.240 -12.346 1.00 0.00 C ATOM 624 O LEU A 41 6.498 -3.177 -12.856 1.00 0.00 O ATOM 625 CB LEU A 41 5.699 -4.615 -10.169 1.00 0.00 C ATOM 626 CG LEU A 41 4.463 -3.759 -9.880 1.00 0.00 C ATOM 627 CD1 LEU A 41 4.084 -3.892 -8.403 1.00 0.00 C ATOM 628 CD2 LEU A 41 4.772 -2.294 -10.195 1.00 0.00 C ATOM 0 H LEU A 41 6.405 -6.942 -10.740 1.00 0.00 H new ATOM 0 HA LEU A 41 4.853 -5.035 -12.103 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.687 -5.478 -9.504 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.589 -4.035 -9.923 1.00 0.00 H new ATOM 0 HG LEU A 41 3.634 -4.098 -10.501 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.204 -3.283 -8.197 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.864 -4.935 -8.176 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.914 -3.553 -7.783 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.892 -1.684 -9.989 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.601 -1.955 -9.574 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.043 -2.197 -11.246 1.00 0.00 H new ATOM 640 N GLY A 42 8.101 -4.702 -12.404 1.00 0.00 N ATOM 641 CA GLY A 42 9.155 -3.956 -13.095 1.00 0.00 C ATOM 642 C GLY A 42 8.763 -3.678 -14.549 1.00 0.00 C ATOM 643 O GLY A 42 9.099 -2.632 -15.102 1.00 0.00 O ATOM 0 H GLY A 42 8.408 -5.580 -11.985 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.339 -3.015 -12.577 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.086 -4.523 -13.067 1.00 0.00 H new ATOM 647 N LYS A 43 8.036 -4.631 -15.152 1.00 0.00 N ATOM 648 CA LYS A 43 7.582 -4.492 -16.542 1.00 0.00 C ATOM 649 C LYS A 43 6.554 -3.361 -16.675 1.00 0.00 C ATOM 650 O LYS A 43 6.406 -2.770 -17.745 1.00 0.00 O ATOM 651 CB LYS A 43 6.937 -5.794 -17.037 1.00 0.00 C ATOM 652 CG LYS A 43 7.922 -6.956 -16.877 1.00 0.00 C ATOM 653 CD LYS A 43 7.425 -8.160 -17.680 1.00 0.00 C ATOM 654 CE LYS A 43 8.502 -9.249 -17.695 1.00 0.00 C ATOM 655 NZ LYS A 43 9.557 -8.899 -18.690 1.00 0.00 N ATOM 0 H LYS A 43 7.752 -5.501 -14.701 1.00 0.00 H new ATOM 0 HA LYS A 43 8.460 -4.261 -17.146 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.027 -5.997 -16.473 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.648 -5.692 -18.083 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.912 -6.658 -17.223 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.019 -7.222 -15.824 1.00 0.00 H new ATOM 0 HD2 LYS A 43 6.507 -8.549 -17.240 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.187 -7.856 -18.699 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.943 -9.351 -16.704 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.056 -10.211 -17.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.962 -9.770 -19.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.139 -8.331 -19.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.307 -8.351 -18.222 1.00 0.00 H new ATOM 669 N VAL A 44 5.846 -3.069 -15.578 1.00 0.00 N ATOM 670 CA VAL A 44 4.834 -2.010 -15.581 1.00 0.00 C ATOM 671 C VAL A 44 5.457 -0.685 -15.128 1.00 0.00 C ATOM 672 O VAL A 44 5.127 0.376 -15.655 1.00 0.00 O ATOM 673 CB VAL A 44 3.623 -2.376 -14.679 1.00 0.00 C ATOM 674 CG1 VAL A 44 3.545 -3.895 -14.476 1.00 0.00 C ATOM 675 CG2 VAL A 44 3.733 -1.706 -13.303 1.00 0.00 C ATOM 0 H VAL A 44 5.955 -3.548 -14.684 1.00 0.00 H new ATOM 0 HA VAL A 44 4.465 -1.901 -16.601 1.00 0.00 H new ATOM 0 HB VAL A 44 2.725 -2.019 -15.183 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.691 -4.134 -13.842 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.428 -4.386 -15.442 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.460 -4.246 -13.999 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.871 -1.981 -12.695 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.647 -2.037 -12.809 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.759 -0.623 -13.427 1.00 0.00 H new ATOM 685 N MET A 45 6.370 -0.766 -14.151 1.00 0.00 N ATOM 686 CA MET A 45 7.044 0.426 -13.633 1.00 0.00 C ATOM 687 C MET A 45 7.822 1.120 -14.747 1.00 0.00 C ATOM 688 O MET A 45 7.790 2.345 -14.869 1.00 0.00 O ATOM 689 CB MET A 45 8.013 0.055 -12.506 1.00 0.00 C ATOM 690 CG MET A 45 7.230 -0.236 -11.222 1.00 0.00 C ATOM 691 SD MET A 45 7.810 0.859 -9.902 1.00 0.00 S ATOM 692 CE MET A 45 7.612 -0.305 -8.530 1.00 0.00 C ATOM 0 H MET A 45 6.656 -1.639 -13.708 1.00 0.00 H new ATOM 0 HA MET A 45 6.281 1.099 -13.243 1.00 0.00 H new ATOM 0 HB2 MET A 45 8.599 -0.819 -12.791 1.00 0.00 H new ATOM 0 HB3 MET A 45 8.717 0.870 -12.337 1.00 0.00 H new ATOM 0 HG2 MET A 45 6.164 -0.086 -11.391 1.00 0.00 H new ATOM 0 HG3 MET A 45 7.363 -1.278 -10.930 1.00 0.00 H new ATOM 0 HE1 MET A 45 7.851 0.195 -7.591 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.582 -0.660 -8.500 1.00 0.00 H new ATOM 0 HE3 MET A 45 8.284 -1.152 -8.671 1.00 0.00 H new ATOM 702 N ARG A 46 8.516 0.318 -15.566 1.00 0.00 N ATOM 703 CA ARG A 46 9.297 0.867 -16.681 1.00 0.00 C ATOM 704 C ARG A 46 8.394 1.637 -17.651 1.00 0.00 C ATOM 705 O ARG A 46 8.822 2.617 -18.266 1.00 0.00 O ATOM 706 CB ARG A 46 10.039 -0.248 -17.436 1.00 0.00 C ATOM 707 CG ARG A 46 9.051 -1.313 -17.930 1.00 0.00 C ATOM 708 CD ARG A 46 9.411 -1.734 -19.357 1.00 0.00 C ATOM 709 NE ARG A 46 8.639 -2.913 -19.755 1.00 0.00 N ATOM 710 CZ ARG A 46 8.877 -3.559 -20.906 1.00 0.00 C ATOM 711 NH1 ARG A 46 9.814 -3.143 -21.727 1.00 0.00 N ATOM 712 NH2 ARG A 46 8.165 -4.612 -21.214 1.00 0.00 N ATOM 0 H ARG A 46 8.553 -0.698 -15.480 1.00 0.00 H new ATOM 0 HA ARG A 46 10.032 1.554 -16.262 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.579 0.176 -18.283 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.780 -0.707 -16.782 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.075 -2.179 -17.269 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.035 -0.920 -17.903 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.212 -0.913 -20.046 1.00 0.00 H new ATOM 0 HD3 ARG A 46 10.477 -1.952 -19.420 1.00 0.00 H new ATOM 0 HE ARG A 46 7.900 -3.252 -19.140 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.370 -2.321 -21.492 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.986 -3.642 -22.600 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.434 -4.937 -20.581 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.340 -5.108 -22.088 1.00 0.00 H new ATOM 726 N MET A 47 7.136 1.193 -17.767 1.00 0.00 N ATOM 727 CA MET A 47 6.169 1.853 -18.647 1.00 0.00 C ATOM 728 C MET A 47 5.584 3.100 -17.972 1.00 0.00 C ATOM 729 O MET A 47 5.206 4.058 -18.646 1.00 0.00 O ATOM 730 CB MET A 47 5.023 0.902 -19.003 1.00 0.00 C ATOM 731 CG MET A 47 5.549 -0.233 -19.885 1.00 0.00 C ATOM 732 SD MET A 47 4.214 -0.841 -20.943 1.00 0.00 S ATOM 733 CE MET A 47 3.523 -2.029 -19.767 1.00 0.00 C ATOM 0 H MET A 47 6.768 0.385 -17.265 1.00 0.00 H new ATOM 0 HA MET A 47 6.697 2.144 -19.555 1.00 0.00 H new ATOM 0 HB2 MET A 47 4.581 0.494 -18.094 1.00 0.00 H new ATOM 0 HB3 MET A 47 4.235 1.446 -19.525 1.00 0.00 H new ATOM 0 HG2 MET A 47 6.379 0.122 -20.496 1.00 0.00 H new ATOM 0 HG3 MET A 47 5.933 -1.042 -19.264 1.00 0.00 H new ATOM 0 HE1 MET A 47 3.679 -3.042 -20.139 1.00 0.00 H new ATOM 0 HE2 MET A 47 4.018 -1.916 -18.803 1.00 0.00 H new ATOM 0 HE3 MET A 47 2.455 -1.846 -19.650 1.00 0.00 H new ATOM 743 N LEU A 48 5.527 3.078 -16.632 1.00 0.00 N ATOM 744 CA LEU A 48 5.001 4.215 -15.872 1.00 0.00 C ATOM 745 C LEU A 48 5.992 5.379 -15.905 1.00 0.00 C ATOM 746 O LEU A 48 5.602 6.547 -15.828 1.00 0.00 O ATOM 747 CB LEU A 48 4.752 3.817 -14.410 1.00 0.00 C ATOM 748 CG LEU A 48 3.318 3.387 -14.072 1.00 0.00 C ATOM 749 CD1 LEU A 48 2.335 4.454 -14.548 1.00 0.00 C ATOM 750 CD2 LEU A 48 3.000 2.056 -14.761 1.00 0.00 C ATOM 0 H LEU A 48 5.836 2.292 -16.060 1.00 0.00 H new ATOM 0 HA LEU A 48 4.060 4.520 -16.331 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.426 2.999 -14.155 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.019 4.660 -13.773 1.00 0.00 H new ATOM 0 HG LEU A 48 3.227 3.266 -12.993 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.318 4.145 -14.306 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.555 5.399 -14.051 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.429 4.580 -15.627 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.981 1.755 -14.518 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.096 2.173 -15.840 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.696 1.292 -14.415 1.00 0.00 H new ATOM 762 N GLY A 49 7.278 5.040 -16.023 1.00 0.00 N ATOM 763 CA GLY A 49 8.338 6.047 -16.071 1.00 0.00 C ATOM 764 C GLY A 49 9.277 5.925 -14.869 1.00 0.00 C ATOM 765 O GLY A 49 9.775 6.931 -14.358 1.00 0.00 O ATOM 0 H GLY A 49 7.609 4.077 -16.087 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.908 5.934 -16.993 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.896 7.043 -16.090 1.00 0.00 H new ATOM 769 N GLN A 50 9.514 4.685 -14.421 1.00 0.00 N ATOM 770 CA GLN A 50 10.399 4.449 -13.273 1.00 0.00 C ATOM 771 C GLN A 50 10.937 3.015 -13.279 1.00 0.00 C ATOM 772 O GLN A 50 10.356 2.121 -13.894 1.00 0.00 O ATOM 773 CB GLN A 50 9.654 4.702 -11.953 1.00 0.00 C ATOM 774 CG GLN A 50 8.382 3.846 -11.892 1.00 0.00 C ATOM 775 CD GLN A 50 7.201 4.712 -11.462 1.00 0.00 C ATOM 776 OE1 GLN A 50 6.690 5.567 -12.308 1.00 0.00 O flip ATOM 777 NE2 GLN A 50 6.731 4.612 -10.330 1.00 0.00 N flip ATOM 0 H GLN A 50 9.112 3.841 -14.829 1.00 0.00 H new ATOM 0 HA GLN A 50 11.235 5.143 -13.356 1.00 0.00 H new ATOM 0 HB2 GLN A 50 10.302 4.464 -11.109 1.00 0.00 H new ATOM 0 HB3 GLN A 50 9.396 5.758 -11.869 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.184 3.402 -12.867 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.518 3.024 -11.189 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.130 3.945 -9.669 1.00 0.00 H new ATOM 0 HE22 GLN A 50 5.943 5.196 -10.052 1.00 0.00 H new ATOM 786 N ASN A 51 12.056 2.807 -12.581 1.00 0.00 N ATOM 787 CA ASN A 51 12.666 1.478 -12.505 1.00 0.00 C ATOM 788 C ASN A 51 13.476 1.336 -11.210 1.00 0.00 C ATOM 789 O ASN A 51 14.663 1.670 -11.164 1.00 0.00 O ATOM 790 CB ASN A 51 13.575 1.232 -13.715 1.00 0.00 C ATOM 791 CG ASN A 51 13.510 -0.243 -14.106 1.00 0.00 C ATOM 792 OD1 ASN A 51 14.464 -0.990 -13.893 1.00 0.00 O ATOM 793 ND2 ASN A 51 12.426 -0.712 -14.669 1.00 0.00 N ATOM 0 H ASN A 51 12.553 3.533 -12.066 1.00 0.00 H new ATOM 0 HA ASN A 51 11.868 0.736 -12.509 1.00 0.00 H new ATOM 0 HB2 ASN A 51 13.262 1.856 -14.552 1.00 0.00 H new ATOM 0 HB3 ASN A 51 14.601 1.511 -13.476 1.00 0.00 H new ATOM 0 HD21 ASN A 51 12.372 -1.696 -14.931 1.00 0.00 H new ATOM 0 HD22 ASN A 51 11.635 -0.093 -14.846 1.00 0.00 H new ATOM 800 N PRO A 52 12.833 0.847 -10.141 1.00 0.00 N ATOM 801 CA PRO A 52 13.487 0.665 -8.827 1.00 0.00 C ATOM 802 C PRO A 52 14.309 -0.628 -8.738 1.00 0.00 C ATOM 803 O PRO A 52 14.678 -1.218 -9.756 1.00 0.00 O ATOM 804 CB PRO A 52 12.291 0.616 -7.881 1.00 0.00 C ATOM 805 CG PRO A 52 11.091 0.167 -8.702 1.00 0.00 C ATOM 806 CD PRO A 52 11.411 0.446 -10.174 1.00 0.00 C ATOM 0 HA PRO A 52 14.209 1.451 -8.607 1.00 0.00 H new ATOM 0 HB2 PRO A 52 12.477 -0.076 -7.060 1.00 0.00 H new ATOM 0 HB3 PRO A 52 12.110 1.595 -7.437 1.00 0.00 H new ATOM 0 HG2 PRO A 52 10.895 -0.894 -8.546 1.00 0.00 H new ATOM 0 HG3 PRO A 52 10.194 0.705 -8.396 1.00 0.00 H new ATOM 0 HD2 PRO A 52 11.256 -0.437 -10.794 1.00 0.00 H new ATOM 0 HD3 PRO A 52 10.779 1.236 -10.581 1.00 0.00 H new ATOM 814 N THR A 53 14.587 -1.056 -7.502 1.00 0.00 N ATOM 815 CA THR A 53 15.362 -2.278 -7.264 1.00 0.00 C ATOM 816 C THR A 53 14.409 -3.417 -6.869 1.00 0.00 C ATOM 817 O THR A 53 13.203 -3.196 -6.743 1.00 0.00 O ATOM 818 CB THR A 53 16.396 -2.038 -6.143 1.00 0.00 C ATOM 819 OG1 THR A 53 15.783 -2.220 -4.871 1.00 0.00 O ATOM 820 CG2 THR A 53 16.950 -0.613 -6.234 1.00 0.00 C ATOM 0 H THR A 53 14.288 -0.576 -6.653 1.00 0.00 H new ATOM 0 HA THR A 53 15.893 -2.553 -8.175 1.00 0.00 H new ATOM 0 HB THR A 53 17.211 -2.752 -6.262 1.00 0.00 H new ATOM 0 HG1 THR A 53 16.445 -2.068 -4.164 1.00 0.00 H new ATOM 0 HG21 THR A 53 17.678 -0.454 -5.439 1.00 0.00 H new ATOM 0 HG22 THR A 53 17.432 -0.471 -7.201 1.00 0.00 H new ATOM 0 HG23 THR A 53 16.134 0.102 -6.127 1.00 0.00 H new ATOM 828 N PRO A 54 14.922 -4.639 -6.653 1.00 0.00 N ATOM 829 CA PRO A 54 14.069 -5.778 -6.258 1.00 0.00 C ATOM 830 C PRO A 54 13.634 -5.692 -4.791 1.00 0.00 C ATOM 831 O PRO A 54 12.590 -6.227 -4.410 1.00 0.00 O ATOM 832 CB PRO A 54 14.974 -6.978 -6.511 1.00 0.00 C ATOM 833 CG PRO A 54 16.407 -6.469 -6.474 1.00 0.00 C ATOM 834 CD PRO A 54 16.362 -4.968 -6.777 1.00 0.00 C ATOM 0 HA PRO A 54 13.131 -5.820 -6.812 1.00 0.00 H new ATOM 0 HB2 PRO A 54 14.818 -7.746 -5.753 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.751 -7.433 -7.476 1.00 0.00 H new ATOM 0 HG2 PRO A 54 16.855 -6.651 -5.497 1.00 0.00 H new ATOM 0 HG3 PRO A 54 17.020 -6.992 -7.208 1.00 0.00 H new ATOM 0 HD2 PRO A 54 16.967 -4.397 -6.073 1.00 0.00 H new ATOM 0 HD3 PRO A 54 16.741 -4.747 -7.775 1.00 0.00 H new ATOM 842 N GLU A 55 14.436 -4.989 -3.982 1.00 0.00 N ATOM 843 CA GLU A 55 14.122 -4.808 -2.566 1.00 0.00 C ATOM 844 C GLU A 55 13.085 -3.695 -2.397 1.00 0.00 C ATOM 845 O GLU A 55 12.167 -3.806 -1.582 1.00 0.00 O ATOM 846 CB GLU A 55 15.383 -4.444 -1.771 1.00 0.00 C ATOM 847 CG GLU A 55 16.429 -5.555 -1.928 1.00 0.00 C ATOM 848 CD GLU A 55 17.736 -4.957 -2.446 1.00 0.00 C ATOM 849 OE1 GLU A 55 17.836 -4.748 -3.646 1.00 0.00 O ATOM 850 OE2 GLU A 55 18.617 -4.717 -1.636 1.00 0.00 O ATOM 0 H GLU A 55 15.301 -4.540 -4.284 1.00 0.00 H new ATOM 0 HA GLU A 55 13.721 -5.747 -2.186 1.00 0.00 H new ATOM 0 HB2 GLU A 55 15.788 -3.496 -2.126 1.00 0.00 H new ATOM 0 HB3 GLU A 55 15.135 -4.310 -0.718 1.00 0.00 H new ATOM 0 HG2 GLU A 55 16.597 -6.048 -0.971 1.00 0.00 H new ATOM 0 HG3 GLU A 55 16.066 -6.316 -2.619 1.00 0.00 H new ATOM 857 N GLU A 56 13.239 -2.623 -3.187 1.00 0.00 N ATOM 858 CA GLU A 56 12.307 -1.495 -3.126 1.00 0.00 C ATOM 859 C GLU A 56 10.989 -1.843 -3.819 1.00 0.00 C ATOM 860 O GLU A 56 9.919 -1.410 -3.388 1.00 0.00 O ATOM 861 CB GLU A 56 12.912 -0.254 -3.793 1.00 0.00 C ATOM 862 CG GLU A 56 12.743 0.957 -2.869 1.00 0.00 C ATOM 863 CD GLU A 56 13.904 1.013 -1.879 1.00 0.00 C ATOM 864 OE1 GLU A 56 13.821 0.347 -0.859 1.00 0.00 O ATOM 865 OE2 GLU A 56 14.860 1.721 -2.155 1.00 0.00 O ATOM 0 H GLU A 56 13.992 -2.516 -3.867 1.00 0.00 H new ATOM 0 HA GLU A 56 12.116 -1.282 -2.074 1.00 0.00 H new ATOM 0 HB2 GLU A 56 13.969 -0.420 -4.003 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.422 -0.067 -4.749 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.709 1.874 -3.457 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.797 0.888 -2.332 1.00 0.00 H new ATOM 872 N LEU A 57 11.079 -2.641 -4.889 1.00 0.00 N ATOM 873 CA LEU A 57 9.896 -3.061 -5.632 1.00 0.00 C ATOM 874 C LEU A 57 8.959 -3.851 -4.713 1.00 0.00 C ATOM 875 O LEU A 57 7.750 -3.610 -4.684 1.00 0.00 O ATOM 876 CB LEU A 57 10.331 -3.921 -6.831 1.00 0.00 C ATOM 877 CG LEU A 57 9.290 -4.882 -7.419 1.00 0.00 C ATOM 878 CD1 LEU A 57 9.169 -6.124 -6.531 1.00 0.00 C ATOM 879 CD2 LEU A 57 7.930 -4.185 -7.531 1.00 0.00 C ATOM 0 H LEU A 57 11.958 -3.006 -5.255 1.00 0.00 H new ATOM 0 HA LEU A 57 9.360 -2.186 -5.999 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.659 -3.251 -7.626 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.199 -4.507 -6.529 1.00 0.00 H new ATOM 0 HG LEU A 57 9.612 -5.185 -8.415 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.428 -6.803 -6.954 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.134 -6.628 -6.477 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.859 -5.826 -5.529 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.200 -4.877 -7.950 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.602 -3.866 -6.542 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.020 -3.315 -8.182 1.00 0.00 H new ATOM 891 N GLN A 58 9.537 -4.788 -3.955 1.00 0.00 N ATOM 892 CA GLN A 58 8.754 -5.605 -3.025 1.00 0.00 C ATOM 893 C GLN A 58 8.170 -4.740 -1.905 1.00 0.00 C ATOM 894 O GLN A 58 7.056 -4.983 -1.443 1.00 0.00 O ATOM 895 CB GLN A 58 9.622 -6.712 -2.416 1.00 0.00 C ATOM 896 CG GLN A 58 8.731 -7.744 -1.714 1.00 0.00 C ATOM 897 CD GLN A 58 7.844 -8.455 -2.739 1.00 0.00 C ATOM 898 OE1 GLN A 58 8.317 -9.302 -3.496 1.00 0.00 O ATOM 899 NE2 GLN A 58 6.572 -8.158 -2.807 1.00 0.00 N ATOM 0 H GLN A 58 10.535 -4.998 -3.967 1.00 0.00 H new ATOM 0 HA GLN A 58 7.937 -6.060 -3.586 1.00 0.00 H new ATOM 0 HB2 GLN A 58 10.210 -7.196 -3.196 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.328 -6.283 -1.704 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.349 -8.472 -1.189 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.111 -7.252 -0.964 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.178 -7.456 -2.180 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.974 -8.628 -3.487 1.00 0.00 H new ATOM 908 N GLU A 59 8.932 -3.722 -1.482 1.00 0.00 N ATOM 909 CA GLU A 59 8.476 -2.815 -0.423 1.00 0.00 C ATOM 910 C GLU A 59 7.180 -2.106 -0.830 1.00 0.00 C ATOM 911 O GLU A 59 6.304 -1.872 0.004 1.00 0.00 O ATOM 912 CB GLU A 59 9.542 -1.755 -0.122 1.00 0.00 C ATOM 913 CG GLU A 59 10.551 -2.309 0.889 1.00 0.00 C ATOM 914 CD GLU A 59 10.100 -1.963 2.306 1.00 0.00 C ATOM 915 OE1 GLU A 59 9.273 -2.685 2.839 1.00 0.00 O ATOM 916 OE2 GLU A 59 10.590 -0.980 2.839 1.00 0.00 O ATOM 0 H GLU A 59 9.858 -3.508 -1.853 1.00 0.00 H new ATOM 0 HA GLU A 59 8.296 -3.418 0.467 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.053 -1.469 -1.041 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.072 -0.855 0.275 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.636 -3.390 0.778 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.539 -1.890 0.699 1.00 0.00 H new ATOM 923 N MET A 60 7.065 -1.776 -2.124 1.00 0.00 N ATOM 924 CA MET A 60 5.866 -1.098 -2.632 1.00 0.00 C ATOM 925 C MET A 60 4.656 -2.019 -2.533 1.00 0.00 C ATOM 926 O MET A 60 3.579 -1.607 -2.108 1.00 0.00 O ATOM 927 CB MET A 60 6.044 -0.677 -4.097 1.00 0.00 C ATOM 928 CG MET A 60 7.300 0.184 -4.244 1.00 0.00 C ATOM 929 SD MET A 60 6.887 1.919 -3.929 1.00 0.00 S ATOM 930 CE MET A 60 8.543 2.460 -3.438 1.00 0.00 C ATOM 0 H MET A 60 7.778 -1.965 -2.829 1.00 0.00 H new ATOM 0 HA MET A 60 5.710 -0.209 -2.021 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.122 -1.560 -4.731 1.00 0.00 H new ATOM 0 HB3 MET A 60 5.169 -0.120 -4.433 1.00 0.00 H new ATOM 0 HG2 MET A 60 8.066 -0.151 -3.545 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.713 0.074 -5.247 1.00 0.00 H new ATOM 0 HE1 MET A 60 8.521 3.522 -3.194 1.00 0.00 H new ATOM 0 HE2 MET A 60 8.867 1.894 -2.565 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.240 2.290 -4.259 1.00 0.00 H new ATOM 940 N ILE A 61 4.857 -3.275 -2.928 1.00 0.00 N ATOM 941 CA ILE A 61 3.781 -4.271 -2.881 1.00 0.00 C ATOM 942 C ILE A 61 3.391 -4.559 -1.429 1.00 0.00 C ATOM 943 O ILE A 61 2.214 -4.564 -1.083 1.00 0.00 O ATOM 944 CB ILE A 61 4.220 -5.576 -3.559 1.00 0.00 C ATOM 945 CG1 ILE A 61 4.618 -5.291 -5.013 1.00 0.00 C ATOM 946 CG2 ILE A 61 3.064 -6.582 -3.539 1.00 0.00 C ATOM 947 CD1 ILE A 61 5.776 -6.205 -5.415 1.00 0.00 C ATOM 0 H ILE A 61 5.746 -3.628 -3.282 1.00 0.00 H new ATOM 0 HA ILE A 61 2.921 -3.867 -3.415 1.00 0.00 H new ATOM 0 HB ILE A 61 5.073 -5.990 -3.021 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.766 -5.455 -5.673 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.910 -4.247 -5.123 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.379 -7.508 -4.021 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.779 -6.789 -2.507 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.210 -6.166 -4.074 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.058 -6.002 -6.448 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.629 -6.019 -4.763 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.467 -7.246 -5.321 1.00 0.00 H new ATOM 959 N ASP A 62 4.397 -4.795 -0.586 1.00 0.00 N ATOM 960 CA ASP A 62 4.155 -5.082 0.833 1.00 0.00 C ATOM 961 C ASP A 62 3.374 -3.948 1.510 1.00 0.00 C ATOM 962 O ASP A 62 2.607 -4.188 2.444 1.00 0.00 O ATOM 963 CB ASP A 62 5.483 -5.283 1.573 1.00 0.00 C ATOM 964 CG ASP A 62 5.888 -6.753 1.506 1.00 0.00 C ATOM 965 OD1 ASP A 62 6.213 -7.212 0.422 1.00 0.00 O ATOM 966 OD2 ASP A 62 5.866 -7.401 2.540 1.00 0.00 O ATOM 0 H ASP A 62 5.381 -4.794 -0.856 1.00 0.00 H new ATOM 0 HA ASP A 62 3.562 -5.995 0.882 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.258 -4.661 1.126 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.383 -4.970 2.612 1.00 0.00 H new ATOM 971 N GLU A 63 3.579 -2.712 1.038 1.00 0.00 N ATOM 972 CA GLU A 63 2.890 -1.555 1.617 1.00 0.00 C ATOM 973 C GLU A 63 1.512 -1.357 0.975 1.00 0.00 C ATOM 974 O GLU A 63 0.502 -1.253 1.673 1.00 0.00 O ATOM 975 CB GLU A 63 3.722 -0.281 1.424 1.00 0.00 C ATOM 976 CG GLU A 63 4.947 -0.324 2.344 1.00 0.00 C ATOM 977 CD GLU A 63 4.592 0.284 3.698 1.00 0.00 C ATOM 978 OE1 GLU A 63 4.757 1.484 3.850 1.00 0.00 O ATOM 979 OE2 GLU A 63 4.159 -0.460 4.564 1.00 0.00 O ATOM 0 H GLU A 63 4.208 -2.490 0.267 1.00 0.00 H new ATOM 0 HA GLU A 63 2.761 -1.748 2.682 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.038 -0.195 0.384 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.117 0.598 1.647 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.282 -1.353 2.473 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.773 0.226 1.893 1.00 0.00 H new ATOM 986 N VAL A 64 1.487 -1.296 -0.361 1.00 0.00 N ATOM 987 CA VAL A 64 0.234 -1.098 -1.101 1.00 0.00 C ATOM 988 C VAL A 64 -0.675 -2.322 -0.982 1.00 0.00 C ATOM 989 O VAL A 64 -1.792 -2.230 -0.467 1.00 0.00 O ATOM 990 CB VAL A 64 0.531 -0.843 -2.584 1.00 0.00 C ATOM 991 CG1 VAL A 64 -0.778 -0.644 -3.350 1.00 0.00 C ATOM 992 CG2 VAL A 64 1.399 0.408 -2.716 1.00 0.00 C ATOM 0 H VAL A 64 2.315 -1.380 -0.950 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.273 -0.235 -0.669 1.00 0.00 H new ATOM 0 HB VAL A 64 1.059 -1.701 -3.000 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.560 -0.463 -4.403 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.394 -1.538 -3.255 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.314 0.211 -2.939 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.613 0.593 -3.769 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.870 1.264 -2.297 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.334 0.260 -2.176 1.00 0.00 H new ATOM 1002 N ASP A 65 -0.185 -3.462 -1.475 1.00 0.00 N ATOM 1003 CA ASP A 65 -0.945 -4.711 -1.439 1.00 0.00 C ATOM 1004 C ASP A 65 -1.289 -5.076 0.009 1.00 0.00 C ATOM 1005 O ASP A 65 -0.467 -5.635 0.741 1.00 0.00 O ATOM 1006 CB ASP A 65 -0.123 -5.837 -2.076 1.00 0.00 C ATOM 1007 CG ASP A 65 -0.949 -6.540 -3.148 1.00 0.00 C ATOM 1008 OD1 ASP A 65 -1.695 -7.444 -2.804 1.00 0.00 O ATOM 1009 OD2 ASP A 65 -0.819 -6.164 -4.302 1.00 0.00 O ATOM 0 H ASP A 65 0.737 -3.544 -1.904 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.870 -4.579 -2.000 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.788 -5.430 -2.515 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.183 -6.552 -1.313 1.00 0.00 H new ATOM 1014 N GLU A 66 -2.516 -4.731 0.416 1.00 0.00 N ATOM 1015 CA GLU A 66 -2.978 -5.002 1.785 1.00 0.00 C ATOM 1016 C GLU A 66 -3.091 -6.505 2.051 1.00 0.00 C ATOM 1017 O GLU A 66 -2.801 -6.971 3.153 1.00 0.00 O ATOM 1018 CB GLU A 66 -4.341 -4.339 2.047 1.00 0.00 C ATOM 1019 CG GLU A 66 -5.348 -4.721 0.950 1.00 0.00 C ATOM 1020 CD GLU A 66 -6.447 -5.601 1.543 1.00 0.00 C ATOM 1021 OE1 GLU A 66 -7.239 -5.089 2.317 1.00 0.00 O ATOM 1022 OE2 GLU A 66 -6.483 -6.774 1.210 1.00 0.00 O ATOM 0 H GLU A 66 -3.204 -4.267 -0.177 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.235 -4.580 2.461 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.721 -4.648 3.021 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.224 -3.256 2.080 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.784 -3.822 0.514 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.839 -5.251 0.145 1.00 0.00 H new ATOM 1029 N ASP A 67 -3.512 -7.253 1.031 1.00 0.00 N ATOM 1030 CA ASP A 67 -3.659 -8.704 1.163 1.00 0.00 C ATOM 1031 C ASP A 67 -2.318 -9.407 0.945 1.00 0.00 C ATOM 1032 O ASP A 67 -2.014 -10.397 1.612 1.00 0.00 O ATOM 1033 CB ASP A 67 -4.690 -9.252 0.160 1.00 0.00 C ATOM 1034 CG ASP A 67 -4.457 -8.656 -1.233 1.00 0.00 C ATOM 1035 OD1 ASP A 67 -4.842 -7.516 -1.445 1.00 0.00 O ATOM 1036 OD2 ASP A 67 -3.904 -9.349 -2.065 1.00 0.00 O ATOM 0 H ASP A 67 -3.755 -6.883 0.112 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.011 -8.905 2.175 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.618 -10.339 0.113 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.698 -9.014 0.500 1.00 0.00 H new ATOM 1041 N GLY A 68 -1.524 -8.888 0.003 1.00 0.00 N ATOM 1042 CA GLY A 68 -0.219 -9.477 -0.297 1.00 0.00 C ATOM 1043 C GLY A 68 -0.389 -10.808 -1.025 1.00 0.00 C ATOM 1044 O GLY A 68 0.219 -11.815 -0.660 1.00 0.00 O ATOM 0 H GLY A 68 -1.760 -8.070 -0.559 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.364 -8.791 -0.912 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.339 -9.629 0.627 1.00 0.00 H new ATOM 1048 N SER A 69 -1.232 -10.793 -2.061 1.00 0.00 N ATOM 1049 CA SER A 69 -1.498 -11.998 -2.848 1.00 0.00 C ATOM 1050 C SER A 69 -0.466 -12.187 -3.974 1.00 0.00 C ATOM 1051 O SER A 69 -0.573 -13.127 -4.765 1.00 0.00 O ATOM 1052 CB SER A 69 -2.896 -11.918 -3.474 1.00 0.00 C ATOM 1053 OG SER A 69 -2.980 -10.756 -4.295 1.00 0.00 O ATOM 0 H SER A 69 -1.739 -9.964 -2.372 1.00 0.00 H new ATOM 0 HA SER A 69 -1.431 -12.848 -2.168 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.093 -12.811 -4.067 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.655 -11.881 -2.693 1.00 0.00 H new ATOM 0 HG SER A 69 -2.946 -11.019 -5.238 1.00 0.00 H new ATOM 1059 N GLY A 70 0.519 -11.280 -4.057 1.00 0.00 N ATOM 1060 CA GLY A 70 1.532 -11.359 -5.108 1.00 0.00 C ATOM 1061 C GLY A 70 0.956 -10.881 -6.443 1.00 0.00 C ATOM 1062 O GLY A 70 1.471 -11.218 -7.510 1.00 0.00 O ATOM 0 H GLY A 70 0.631 -10.495 -3.416 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.394 -10.749 -4.837 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.886 -12.386 -5.204 1.00 0.00 H new ATOM 1066 N THR A 71 -0.128 -10.093 -6.367 1.00 0.00 N ATOM 1067 CA THR A 71 -0.782 -9.573 -7.567 1.00 0.00 C ATOM 1068 C THR A 71 -1.343 -8.177 -7.296 1.00 0.00 C ATOM 1069 O THR A 71 -2.069 -7.963 -6.321 1.00 0.00 O ATOM 1070 CB THR A 71 -1.923 -10.503 -8.008 1.00 0.00 C ATOM 1071 OG1 THR A 71 -2.971 -10.467 -7.046 1.00 0.00 O ATOM 1072 CG2 THR A 71 -1.398 -11.935 -8.135 1.00 0.00 C ATOM 0 H THR A 71 -0.564 -9.806 -5.491 1.00 0.00 H new ATOM 0 HA THR A 71 -0.040 -9.520 -8.364 1.00 0.00 H new ATOM 0 HB THR A 71 -2.306 -10.169 -8.972 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.837 -10.480 -7.505 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.209 -12.593 -8.448 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.599 -11.965 -8.876 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.012 -12.268 -7.172 1.00 0.00 H new ATOM 1080 N VAL A 72 -0.995 -7.228 -8.166 1.00 0.00 N ATOM 1081 CA VAL A 72 -1.469 -5.853 -8.004 1.00 0.00 C ATOM 1082 C VAL A 72 -2.775 -5.641 -8.761 1.00 0.00 C ATOM 1083 O VAL A 72 -2.824 -5.755 -9.987 1.00 0.00 O ATOM 1084 CB VAL A 72 -0.444 -4.838 -8.525 1.00 0.00 C ATOM 1085 CG1 VAL A 72 -0.809 -3.440 -8.017 1.00 0.00 C ATOM 1086 CG2 VAL A 72 0.958 -5.198 -8.031 1.00 0.00 C ATOM 0 H VAL A 72 -0.396 -7.382 -8.977 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.622 -5.697 -6.936 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.455 -4.855 -9.615 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.081 -2.717 -8.386 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.802 -3.170 -8.376 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.803 -3.436 -6.927 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.675 -4.469 -8.409 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.973 -5.191 -6.941 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.227 -6.191 -8.391 1.00 0.00 H new ATOM 1096 N ASP A 73 -3.821 -5.297 -8.016 1.00 0.00 N ATOM 1097 CA ASP A 73 -5.124 -5.028 -8.619 1.00 0.00 C ATOM 1098 C ASP A 73 -5.134 -3.589 -9.124 1.00 0.00 C ATOM 1099 O ASP A 73 -4.210 -2.829 -8.839 1.00 0.00 O ATOM 1100 CB ASP A 73 -6.247 -5.219 -7.594 1.00 0.00 C ATOM 1101 CG ASP A 73 -6.377 -6.700 -7.247 1.00 0.00 C ATOM 1102 OD1 ASP A 73 -5.645 -7.155 -6.382 1.00 0.00 O ATOM 1103 OD2 ASP A 73 -7.207 -7.359 -7.849 1.00 0.00 O ATOM 0 H ASP A 73 -3.794 -5.198 -7.001 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.291 -5.724 -9.441 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.034 -4.642 -6.694 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.188 -4.846 -7.997 1.00 0.00 H new ATOM 1108 N PHE A 74 -6.165 -3.209 -9.878 1.00 0.00 N ATOM 1109 CA PHE A 74 -6.228 -1.842 -10.397 1.00 0.00 C ATOM 1110 C PHE A 74 -6.261 -0.827 -9.251 1.00 0.00 C ATOM 1111 O PHE A 74 -5.650 0.241 -9.343 1.00 0.00 O ATOM 1112 CB PHE A 74 -7.446 -1.640 -11.301 1.00 0.00 C ATOM 1113 CG PHE A 74 -7.232 -0.410 -12.148 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -6.031 -0.252 -12.851 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -8.228 0.569 -12.232 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.828 0.886 -13.635 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -8.022 1.708 -13.017 1.00 0.00 C ATOM 1118 CZ PHE A 74 -6.823 1.865 -13.717 1.00 0.00 C ATOM 0 H PHE A 74 -6.948 -3.809 -10.138 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.329 -1.680 -10.992 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.592 -2.514 -11.936 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.348 -1.530 -10.698 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.263 -1.009 -12.787 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.155 0.445 -11.691 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.903 1.010 -14.178 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.789 2.466 -13.082 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.664 2.745 -14.323 1.00 0.00 H new ATOM 1128 N ASP A 75 -6.955 -1.178 -8.161 1.00 0.00 N ATOM 1129 CA ASP A 75 -7.028 -0.293 -6.994 1.00 0.00 C ATOM 1130 C ASP A 75 -5.637 -0.135 -6.376 1.00 0.00 C ATOM 1131 O ASP A 75 -5.232 0.968 -6.009 1.00 0.00 O ATOM 1132 CB ASP A 75 -7.986 -0.857 -5.939 1.00 0.00 C ATOM 1133 CG ASP A 75 -9.418 -0.457 -6.283 1.00 0.00 C ATOM 1134 OD1 ASP A 75 -10.052 -1.184 -7.031 1.00 0.00 O ATOM 1135 OD2 ASP A 75 -9.859 0.570 -5.793 1.00 0.00 O ATOM 0 H ASP A 75 -7.466 -2.055 -8.064 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.401 0.676 -7.325 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -7.901 -1.943 -5.899 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -7.719 -0.480 -4.952 1.00 0.00 H new ATOM 1140 N GLU A 76 -4.907 -1.255 -6.288 1.00 0.00 N ATOM 1141 CA GLU A 76 -3.549 -1.244 -5.732 1.00 0.00 C ATOM 1142 C GLU A 76 -2.556 -0.647 -6.743 1.00 0.00 C ATOM 1143 O GLU A 76 -1.509 -0.118 -6.365 1.00 0.00 O ATOM 1144 CB GLU A 76 -3.101 -2.669 -5.368 1.00 0.00 C ATOM 1145 CG GLU A 76 -4.139 -3.324 -4.441 1.00 0.00 C ATOM 1146 CD GLU A 76 -3.803 -4.804 -4.224 1.00 0.00 C ATOM 1147 OE1 GLU A 76 -3.537 -5.489 -5.197 1.00 0.00 O ATOM 1148 OE2 GLU A 76 -3.827 -5.235 -3.082 1.00 0.00 O ATOM 0 H GLU A 76 -5.231 -2.173 -6.592 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.562 -0.629 -4.832 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.982 -3.264 -6.273 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.129 -2.639 -4.876 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.159 -2.805 -3.483 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.134 -3.230 -4.875 1.00 0.00 H new ATOM 1155 N PHE A 77 -2.905 -0.740 -8.035 1.00 0.00 N ATOM 1156 CA PHE A 77 -2.057 -0.216 -9.108 1.00 0.00 C ATOM 1157 C PHE A 77 -2.002 1.310 -9.051 1.00 0.00 C ATOM 1158 O PHE A 77 -0.922 1.904 -9.005 1.00 0.00 O ATOM 1159 CB PHE A 77 -2.621 -0.645 -10.473 1.00 0.00 C ATOM 1160 CG PHE A 77 -1.521 -0.870 -11.492 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -0.181 -1.042 -11.103 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -1.861 -0.918 -12.848 1.00 0.00 C ATOM 1163 CE1 PHE A 77 0.805 -1.257 -12.071 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -0.874 -1.136 -13.812 1.00 0.00 C ATOM 1165 CZ PHE A 77 0.459 -1.306 -13.425 1.00 0.00 C ATOM 0 H PHE A 77 -3.769 -1.174 -8.359 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.051 -0.616 -8.978 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.200 -1.561 -10.355 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -3.305 0.120 -10.840 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.087 -1.008 -10.057 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.889 -0.786 -13.150 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.835 -1.385 -11.773 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.141 -1.173 -14.858 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.221 -1.475 -14.172 1.00 0.00 H new ATOM 1175 N LEU A 78 -3.184 1.933 -9.051 1.00 0.00 N ATOM 1176 CA LEU A 78 -3.283 3.395 -8.995 1.00 0.00 C ATOM 1177 C LEU A 78 -2.796 3.923 -7.640 1.00 0.00 C ATOM 1178 O LEU A 78 -2.267 5.033 -7.552 1.00 0.00 O ATOM 1179 CB LEU A 78 -4.733 3.844 -9.223 1.00 0.00 C ATOM 1180 CG LEU A 78 -5.162 3.999 -10.695 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -4.488 2.934 -11.566 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -6.682 3.844 -10.798 1.00 0.00 C ATOM 0 H LEU A 78 -4.082 1.451 -9.089 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.650 3.802 -9.783 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.396 3.123 -8.745 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.882 4.798 -8.718 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.860 4.986 -11.046 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.803 3.059 -12.602 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.405 3.042 -11.500 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.776 1.943 -11.216 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.989 3.953 -11.838 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.973 2.858 -10.435 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.168 4.610 -10.194 1.00 0.00 H new ATOM 1194 N VAL A 79 -2.966 3.108 -6.589 1.00 0.00 N ATOM 1195 CA VAL A 79 -2.526 3.493 -5.245 1.00 0.00 C ATOM 1196 C VAL A 79 -1.004 3.674 -5.229 1.00 0.00 C ATOM 1197 O VAL A 79 -0.496 4.703 -4.789 1.00 0.00 O ATOM 1198 CB VAL A 79 -2.942 2.422 -4.220 1.00 0.00 C ATOM 1199 CG1 VAL A 79 -1.997 2.437 -3.016 1.00 0.00 C ATOM 1200 CG2 VAL A 79 -4.369 2.704 -3.743 1.00 0.00 C ATOM 0 H VAL A 79 -3.401 2.187 -6.644 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.000 4.436 -4.975 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.893 1.443 -4.696 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.306 1.674 -2.302 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.980 2.232 -3.349 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.032 3.416 -2.538 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.666 1.947 -3.017 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.409 3.689 -3.278 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.049 2.677 -4.594 1.00 0.00 H new ATOM 1210 N MET A 80 -0.290 2.655 -5.720 1.00 0.00 N ATOM 1211 CA MET A 80 1.176 2.685 -5.779 1.00 0.00 C ATOM 1212 C MET A 80 1.704 4.026 -6.310 1.00 0.00 C ATOM 1213 O MET A 80 2.765 4.490 -5.891 1.00 0.00 O ATOM 1214 CB MET A 80 1.684 1.568 -6.694 1.00 0.00 C ATOM 1215 CG MET A 80 2.891 0.889 -6.051 1.00 0.00 C ATOM 1216 SD MET A 80 4.414 1.494 -6.825 1.00 0.00 S ATOM 1217 CE MET A 80 4.193 0.689 -8.431 1.00 0.00 C ATOM 0 H MET A 80 -0.705 1.797 -6.083 1.00 0.00 H new ATOM 0 HA MET A 80 1.540 2.546 -4.761 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.893 0.838 -6.868 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.959 1.977 -7.666 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.909 1.094 -4.981 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.817 -0.192 -6.167 1.00 0.00 H new ATOM 0 HE1 MET A 80 5.044 0.917 -9.073 1.00 0.00 H new ATOM 0 HE2 MET A 80 4.123 -0.390 -8.291 1.00 0.00 H new ATOM 0 HE3 MET A 80 3.278 1.054 -8.898 1.00 0.00 H new ATOM 1227 N MET A 81 0.955 4.642 -7.236 1.00 0.00 N ATOM 1228 CA MET A 81 1.367 5.923 -7.812 1.00 0.00 C ATOM 1229 C MET A 81 1.312 7.034 -6.761 1.00 0.00 C ATOM 1230 O MET A 81 2.305 7.725 -6.527 1.00 0.00 O ATOM 1231 CB MET A 81 0.461 6.295 -8.986 1.00 0.00 C ATOM 1232 CG MET A 81 1.082 7.456 -9.769 1.00 0.00 C ATOM 1233 SD MET A 81 0.350 9.018 -9.219 1.00 0.00 S ATOM 1234 CE MET A 81 -1.372 8.610 -9.598 1.00 0.00 C ATOM 0 H MET A 81 0.073 4.277 -7.596 1.00 0.00 H new ATOM 0 HA MET A 81 2.393 5.817 -8.164 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.325 5.434 -9.640 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.527 6.577 -8.621 1.00 0.00 H new ATOM 0 HG2 MET A 81 2.161 7.475 -9.617 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.913 7.319 -10.837 1.00 0.00 H new ATOM 0 HE1 MET A 81 -1.969 9.522 -9.606 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.426 8.133 -10.576 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.760 7.929 -8.840 1.00 0.00 H new ATOM 1244 N VAL A 82 0.145 7.193 -6.126 1.00 0.00 N ATOM 1245 CA VAL A 82 -0.020 8.224 -5.093 1.00 0.00 C ATOM 1246 C VAL A 82 0.873 7.927 -3.882 1.00 0.00 C ATOM 1247 O VAL A 82 1.274 8.839 -3.160 1.00 0.00 O ATOM 1248 CB VAL A 82 -1.481 8.332 -4.631 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -2.341 8.866 -5.778 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -2.007 6.960 -4.196 1.00 0.00 C ATOM 0 H VAL A 82 -0.687 6.631 -6.305 1.00 0.00 H new ATOM 0 HA VAL A 82 0.275 9.174 -5.539 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.532 9.014 -3.783 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.378 8.943 -5.450 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.981 9.851 -6.075 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.278 8.185 -6.627 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.043 7.054 -3.872 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.951 6.266 -5.035 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.402 6.583 -3.372 1.00 0.00 H new ATOM 1260 N ARG A 83 1.187 6.645 -3.676 1.00 0.00 N ATOM 1261 CA ARG A 83 2.047 6.235 -2.561 1.00 0.00 C ATOM 1262 C ARG A 83 3.475 6.767 -2.755 1.00 0.00 C ATOM 1263 O ARG A 83 4.193 7.012 -1.784 1.00 0.00 O ATOM 1264 CB ARG A 83 2.100 4.705 -2.453 1.00 0.00 C ATOM 1265 CG ARG A 83 0.740 4.170 -1.987 1.00 0.00 C ATOM 1266 CD ARG A 83 0.929 3.241 -0.782 1.00 0.00 C ATOM 1267 NE ARG A 83 1.361 3.994 0.400 1.00 0.00 N ATOM 1268 CZ ARG A 83 1.496 3.409 1.600 1.00 0.00 C ATOM 1269 NH1 ARG A 83 1.234 2.132 1.757 1.00 0.00 N ATOM 1270 NH2 ARG A 83 1.894 4.120 2.624 1.00 0.00 N ATOM 0 H ARG A 83 0.861 5.877 -4.262 1.00 0.00 H new ATOM 0 HA ARG A 83 1.624 6.651 -1.647 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.360 4.272 -3.419 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.878 4.408 -1.750 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.086 5.000 -1.718 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.254 3.631 -2.800 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.006 2.724 -0.567 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.668 2.476 -1.020 1.00 0.00 H new ATOM 0 HE ARG A 83 1.564 4.989 0.307 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.924 1.573 0.962 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.340 1.699 2.674 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.099 5.112 2.507 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.999 3.682 3.539 1.00 0.00 H new ATOM 1284 N CYS A 84 3.875 6.944 -4.023 1.00 0.00 N ATOM 1285 CA CYS A 84 5.215 7.448 -4.339 1.00 0.00 C ATOM 1286 C CYS A 84 5.220 8.978 -4.432 1.00 0.00 C ATOM 1287 O CYS A 84 6.184 9.627 -4.025 1.00 0.00 O ATOM 1288 CB CYS A 84 5.709 6.869 -5.669 1.00 0.00 C ATOM 1289 SG CYS A 84 6.295 5.176 -5.410 1.00 0.00 S ATOM 0 H CYS A 84 3.294 6.747 -4.838 1.00 0.00 H new ATOM 0 HA CYS A 84 5.880 7.136 -3.534 1.00 0.00 H new ATOM 0 HB2 CYS A 84 4.903 6.878 -6.403 1.00 0.00 H new ATOM 0 HB3 CYS A 84 6.513 7.486 -6.070 1.00 0.00 H new ATOM 0 HG CYS A 84 6.712 4.684 -6.539 1.00 0.00 H new ATOM 1295 N MET A 85 4.135 9.545 -4.974 1.00 0.00 N ATOM 1296 CA MET A 85 4.026 10.999 -5.120 1.00 0.00 C ATOM 1297 C MET A 85 3.724 11.661 -3.772 1.00 0.00 C ATOM 1298 O MET A 85 4.294 12.700 -3.438 1.00 0.00 O ATOM 1299 CB MET A 85 2.916 11.352 -6.115 1.00 0.00 C ATOM 1300 CG MET A 85 3.326 12.582 -6.925 1.00 0.00 C ATOM 1301 SD MET A 85 4.361 12.071 -8.321 1.00 0.00 S ATOM 1302 CE MET A 85 3.019 11.617 -9.449 1.00 0.00 C ATOM 0 H MET A 85 3.328 9.023 -5.315 1.00 0.00 H new ATOM 0 HA MET A 85 4.981 11.370 -5.492 1.00 0.00 H new ATOM 0 HB2 MET A 85 2.730 10.510 -6.782 1.00 0.00 H new ATOM 0 HB3 MET A 85 1.985 11.548 -5.583 1.00 0.00 H new ATOM 0 HG2 MET A 85 2.440 13.103 -7.287 1.00 0.00 H new ATOM 0 HG3 MET A 85 3.871 13.282 -6.292 1.00 0.00 H new ATOM 0 HE1 MET A 85 3.318 10.752 -10.040 1.00 0.00 H new ATOM 0 HE2 MET A 85 2.127 11.372 -8.873 1.00 0.00 H new ATOM 0 HE3 MET A 85 2.804 12.454 -10.114 1.00 0.00 H new ATOM 1312 N LYS A 86 2.821 11.041 -3.005 1.00 0.00 N ATOM 1313 CA LYS A 86 2.443 11.562 -1.689 1.00 0.00 C ATOM 1314 C LYS A 86 2.912 10.606 -0.592 1.00 0.00 C ATOM 1315 O LYS A 86 3.106 9.412 -0.834 1.00 0.00 O ATOM 1316 CB LYS A 86 0.922 11.722 -1.596 1.00 0.00 C ATOM 1317 CG LYS A 86 0.565 12.736 -0.504 1.00 0.00 C ATOM 1318 CD LYS A 86 -0.077 12.009 0.682 1.00 0.00 C ATOM 1319 CE LYS A 86 -0.661 13.034 1.660 1.00 0.00 C ATOM 1320 NZ LYS A 86 -2.058 13.368 1.260 1.00 0.00 N ATOM 0 H LYS A 86 2.341 10.182 -3.272 1.00 0.00 H new ATOM 0 HA LYS A 86 2.918 12.534 -1.556 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.524 12.054 -2.555 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.460 10.760 -1.375 1.00 0.00 H new ATOM 0 HG2 LYS A 86 1.461 13.265 -0.178 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.121 13.485 -0.899 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -0.862 11.340 0.329 1.00 0.00 H new ATOM 0 HD3 LYS A 86 0.665 11.391 1.188 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -0.648 12.633 2.673 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -0.048 13.936 1.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -2.453 14.064 1.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.058 13.768 0.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.639 12.506 1.276 1.00 0.00 H new ATOM 1334 N ASP A 87 3.093 11.148 0.616 1.00 0.00 N ATOM 1335 CA ASP A 87 3.544 10.347 1.758 1.00 0.00 C ATOM 1336 C ASP A 87 4.978 9.852 1.533 1.00 0.00 C ATOM 1337 O ASP A 87 5.257 8.651 1.575 1.00 0.00 O ATOM 1338 CB ASP A 87 2.611 9.148 1.986 1.00 0.00 C ATOM 1339 CG ASP A 87 2.741 8.667 3.430 1.00 0.00 C ATOM 1340 OD1 ASP A 87 2.121 9.267 4.292 1.00 0.00 O ATOM 1341 OD2 ASP A 87 3.457 7.703 3.651 1.00 0.00 O ATOM 0 H ASP A 87 2.935 12.133 0.828 1.00 0.00 H new ATOM 0 HA ASP A 87 3.521 10.982 2.644 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.579 9.432 1.778 1.00 0.00 H new ATOM 0 HB3 ASP A 87 2.864 8.341 1.299 1.00 0.00 H new ATOM 1346 N ASP A 88 5.885 10.802 1.297 1.00 0.00 N ATOM 1347 CA ASP A 88 7.293 10.472 1.070 1.00 0.00 C ATOM 1348 C ASP A 88 8.178 11.691 1.343 1.00 0.00 C ATOM 1349 O ASP A 88 8.157 12.676 0.602 1.00 0.00 O ATOM 1350 CB ASP A 88 7.525 9.970 -0.368 1.00 0.00 C ATOM 1351 CG ASP A 88 6.995 10.980 -1.388 1.00 0.00 C ATOM 1352 OD1 ASP A 88 5.787 11.079 -1.525 1.00 0.00 O ATOM 1353 OD2 ASP A 88 7.805 11.632 -2.025 1.00 0.00 O ATOM 0 H ASP A 88 5.672 11.799 1.258 1.00 0.00 H new ATOM 0 HA ASP A 88 7.561 9.672 1.760 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.590 9.804 -0.533 1.00 0.00 H new ATOM 0 HB3 ASP A 88 7.028 9.010 -0.508 1.00 0.00 H new ATOM 1358 N SER A 89 8.948 11.611 2.429 1.00 0.00 N ATOM 1359 CA SER A 89 9.839 12.708 2.816 1.00 0.00 C ATOM 1360 C SER A 89 11.302 12.328 2.574 1.00 0.00 C ATOM 1361 O SER A 89 12.004 13.118 1.965 1.00 0.00 O ATOM 1362 CB SER A 89 9.646 13.057 4.295 1.00 0.00 C ATOM 1363 OG SER A 89 10.366 14.245 4.597 1.00 0.00 O ATOM 1364 OXT SER A 89 11.700 11.255 3.005 1.00 0.00 O ATOM 0 H SER A 89 8.974 10.805 3.053 1.00 0.00 H new ATOM 0 HA SER A 89 9.589 13.575 2.204 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.587 13.195 4.512 1.00 0.00 H new ATOM 0 HB3 SER A 89 9.996 12.237 4.922 1.00 0.00 H new ATOM 0 HG SER A 89 10.243 14.471 5.543 1.00 0.00 H new TER 1370 SER A 89 HETATM 1371 CA CA A 90 -3.386 -7.956 -3.840 1.00 0.00 CA