USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 691 hydrogens (18 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 NoAdj-H: A 52 ASNHD21 : A 52 ASN ND2 : A1052 NAG C1 :(H bumps) USER MOD NoAdj-H: A 78 ASNHD21 : A 78 ASN ND2 : A1078 NAG C1 :(H bumps) USER MOD Set 1.1: A 50 GLN : amide:sc= -0.53 K(o=0.48,f=-5!) USER MOD Set 1.2: A1052 NAG O3 : rot 26:sc= 1.01 USER MOD Set 2.1: A 43 SER OG : rot -150:sc= -0.671 USER MOD Set 2.2: A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 13 GLN :FLIP amide:sc= -0.329 F(o=-5.9,f=-2.7) USER MOD Set 3.2: A 29 MET CE :methyl -136:sc= -2.41 (180deg=-6.05!) USER MOD Single : A 1 ALA N :NH3+ 135:sc= 0.0289 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.0133 X(o=-0.013,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.306! USER MOD Single : A 15 ASN : amide:sc= -4.21! C(o=-4.2!,f=-11!) USER MOD Single : A 19 SER OG : rot -4:sc= 0.775! USER MOD Single : A 20 GLN : amide:sc= -1.5 K(o=-1.5,f=-5.1!) USER MOD Single : A 27 GLN : amide:sc=-0.00341 X(o=-0.0034,f=0) USER MOD Single : A 34 SER OG : rot 45:sc= -0.253 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl -139:sc= -0.227 (180deg=-2.94!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 32:sc= -0.115! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= -1.33 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.0968 X(o=-0.097,f=-0.0059) USER MOD Single : A 69 THR OG1 : rot 180:sc= -2.17! USER MOD Single : A 71 MET CE :methyl 167:sc= -5.49! (180deg=-5.98!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HE2:sc= -25.4! C(o=-25!,f=-27!) USER MOD Single : A 80 THR OG1 : rot -50:sc= -3.52! USER MOD Single : A 83 HIS : no HE2:sc= -9.77! C(o=-9.8!,f=-11!) USER MOD Single : A 85 SER OG : rot 180:sc= -0.0339 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0382 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HE2:sc= -0.0954 X(o=-0.095,f=-0.33) USER MOD Single : A 91 LYS NZ :NH3+ -155:sc= -0.778! (180deg=-2.26!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A1052 NAG O4 : rot 160:sc= 0 USER MOD Single : A1052 NAG O6 : rot 30:sc= 0.0108 USER MOD Single : A1078 NAG O3 : rot 5:sc= 0.3 USER MOD Single : A1078 NAG O4 : rot -152:sc= 1.05 USER MOD Single : A1078 NAG O6 : rot 180:sc= 0.896 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 10.370 12.105 12.537 1.00 0.00 N ATOM 2 CA ALA A 1 10.373 13.496 12.015 1.00 0.00 C ATOM 3 C ALA A 1 8.958 13.958 11.687 1.00 0.00 C ATOM 4 O ALA A 1 8.115 13.163 11.270 1.00 0.00 O ATOM 5 CB ALA A 1 11.260 13.595 10.782 1.00 0.00 C ATOM 0 H1 ALA A 1 11.129 11.561 12.080 1.00 0.00 H new ATOM 0 H2 ALA A 1 10.525 12.120 13.565 1.00 0.00 H new ATOM 0 H3 ALA A 1 9.453 11.659 12.332 1.00 0.00 H new ATOM 0 HA ALA A 1 10.773 14.150 12.790 1.00 0.00 H new ATOM 0 HB1 ALA A 1 11.253 14.620 10.410 1.00 0.00 H new ATOM 0 HB2 ALA A 1 12.279 13.311 11.043 1.00 0.00 H new ATOM 0 HB3 ALA A 1 10.884 12.926 10.008 1.00 0.00 H new ATOM 13 N PRO A 2 8.677 15.257 11.873 1.00 0.00 N ATOM 14 CA PRO A 2 7.359 15.832 11.599 1.00 0.00 C ATOM 15 C PRO A 2 7.073 15.927 10.104 1.00 0.00 C ATOM 16 O PRO A 2 6.197 15.237 9.583 1.00 0.00 O ATOM 17 CB PRO A 2 7.430 17.239 12.215 1.00 0.00 C ATOM 18 CG PRO A 2 8.704 17.281 12.995 1.00 0.00 C ATOM 19 CD PRO A 2 9.616 16.268 12.366 1.00 0.00 C ATOM 0 HA PRO A 2 6.560 15.217 12.012 1.00 0.00 H new ATOM 0 HB2 PRO A 2 7.421 18.006 11.440 1.00 0.00 H new ATOM 0 HB3 PRO A 2 6.571 17.427 12.859 1.00 0.00 H new ATOM 0 HG2 PRO A 2 9.147 18.276 12.963 1.00 0.00 H new ATOM 0 HG3 PRO A 2 8.526 17.045 14.044 1.00 0.00 H new ATOM 0 HD2 PRO A 2 10.207 16.700 11.559 1.00 0.00 H new ATOM 0 HD3 PRO A 2 10.319 15.851 13.088 1.00 0.00 H new ATOM 27 N ASP A 3 7.818 16.791 9.421 1.00 0.00 N ATOM 28 CA ASP A 3 7.646 16.983 7.986 1.00 0.00 C ATOM 29 C ASP A 3 6.237 17.478 7.674 1.00 0.00 C ATOM 30 O ASP A 3 5.249 16.887 8.113 1.00 0.00 O ATOM 31 CB ASP A 3 7.936 15.677 7.235 1.00 0.00 C ATOM 32 CG ASP A 3 6.711 15.105 6.546 1.00 0.00 C ATOM 33 OD1 ASP A 3 6.231 15.727 5.575 1.00 0.00 O ATOM 34 OD2 ASP A 3 6.232 14.035 6.978 1.00 0.00 O ATOM 0 H ASP A 3 8.547 17.369 9.839 1.00 0.00 H new ATOM 0 HA ASP A 3 8.355 17.740 7.652 1.00 0.00 H new ATOM 0 HB2 ASP A 3 8.713 15.856 6.492 1.00 0.00 H new ATOM 0 HB3 ASP A 3 8.329 14.941 7.936 1.00 0.00 H new ATOM 39 N VAL A 4 6.151 18.568 6.918 1.00 0.00 N ATOM 40 CA VAL A 4 4.862 19.140 6.552 1.00 0.00 C ATOM 41 C VAL A 4 3.913 18.064 6.041 1.00 0.00 C ATOM 42 O VAL A 4 4.244 16.879 6.037 1.00 0.00 O ATOM 43 CB VAL A 4 5.008 20.232 5.476 1.00 0.00 C ATOM 44 CG1 VAL A 4 5.974 21.311 5.937 1.00 0.00 C ATOM 45 CG2 VAL A 4 5.463 19.625 4.157 1.00 0.00 C ATOM 0 H VAL A 4 6.957 19.071 6.548 1.00 0.00 H new ATOM 0 HA VAL A 4 4.451 19.590 7.456 1.00 0.00 H new ATOM 0 HB VAL A 4 4.033 20.694 5.319 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.064 22.074 5.163 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.600 21.767 6.854 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.952 20.868 6.125 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.561 20.412 3.409 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.426 19.134 4.295 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.728 18.893 3.820 1.00 0.00 H new ATOM 55 N GLN A 5 2.730 18.485 5.613 1.00 0.00 N ATOM 56 CA GLN A 5 1.729 17.557 5.104 1.00 0.00 C ATOM 57 C GLN A 5 1.961 17.250 3.628 1.00 0.00 C ATOM 58 O GLN A 5 1.485 17.970 2.751 1.00 0.00 O ATOM 59 CB GLN A 5 0.327 18.132 5.303 1.00 0.00 C ATOM 60 CG GLN A 5 -0.567 17.266 6.177 1.00 0.00 C ATOM 61 CD GLN A 5 -1.884 16.924 5.508 1.00 0.00 C ATOM 62 OE1 GLN A 5 -2.956 17.252 6.016 1.00 0.00 O ATOM 63 NE2 GLN A 5 -1.808 16.260 4.360 1.00 0.00 N ATOM 0 H GLN A 5 2.440 19.463 5.608 1.00 0.00 H new ATOM 0 HA GLN A 5 1.819 16.626 5.664 1.00 0.00 H new ATOM 0 HB2 GLN A 5 0.410 19.122 5.751 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.146 18.261 4.329 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.041 16.345 6.427 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -0.764 17.785 7.115 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -0.897 16.009 3.976 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -2.660 16.002 3.863 1.00 0.00 H new ATOM 72 N ASP A 6 2.689 16.169 3.362 1.00 0.00 N ATOM 73 CA ASP A 6 2.977 15.756 1.992 1.00 0.00 C ATOM 74 C ASP A 6 2.216 14.478 1.652 1.00 0.00 C ATOM 75 O ASP A 6 2.044 13.604 2.502 1.00 0.00 O ATOM 76 CB ASP A 6 4.485 15.550 1.801 1.00 0.00 C ATOM 77 CG ASP A 6 4.846 14.118 1.450 1.00 0.00 C ATOM 78 OD1 ASP A 6 4.697 13.741 0.268 1.00 0.00 O ATOM 79 OD2 ASP A 6 5.279 13.375 2.355 1.00 0.00 O ATOM 0 H ASP A 6 3.090 15.563 4.078 1.00 0.00 H new ATOM 0 HA ASP A 6 2.648 16.545 1.315 1.00 0.00 H new ATOM 0 HB2 ASP A 6 4.840 16.213 1.012 1.00 0.00 H new ATOM 0 HB3 ASP A 6 5.004 15.837 2.715 1.00 0.00 H new ATOM 84 N CYS A 7 1.758 14.376 0.409 1.00 0.00 N ATOM 85 CA CYS A 7 1.013 13.203 -0.033 1.00 0.00 C ATOM 86 C CYS A 7 -0.464 13.336 0.329 1.00 0.00 C ATOM 87 O CYS A 7 -0.817 14.028 1.283 1.00 0.00 O ATOM 88 CB CYS A 7 1.594 11.937 0.600 1.00 0.00 C ATOM 89 SG CYS A 7 1.672 10.509 -0.528 1.00 0.00 S ATOM 0 H CYS A 7 1.889 15.089 -0.308 1.00 0.00 H new ATOM 0 HA CYS A 7 1.100 13.130 -1.117 1.00 0.00 H new ATOM 0 HB2 CYS A 7 2.598 12.154 0.964 1.00 0.00 H new ATOM 0 HB3 CYS A 7 0.992 11.668 1.468 1.00 0.00 H new ATOM 94 N PRO A 8 -1.348 12.675 -0.436 1.00 0.00 N ATOM 95 CA PRO A 8 -2.793 12.720 -0.204 1.00 0.00 C ATOM 96 C PRO A 8 -3.226 11.845 0.971 1.00 0.00 C ATOM 97 O PRO A 8 -4.384 11.434 1.054 1.00 0.00 O ATOM 98 CB PRO A 8 -3.395 12.186 -1.516 1.00 0.00 C ATOM 99 CG PRO A 8 -2.243 11.974 -2.449 1.00 0.00 C ATOM 100 CD PRO A 8 -1.017 11.840 -1.592 1.00 0.00 C ATOM 0 HA PRO A 8 -3.124 13.727 0.052 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.934 11.254 -1.346 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.109 12.896 -1.934 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.393 11.079 -3.053 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.144 12.812 -3.139 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.833 10.805 -1.306 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.122 12.193 -2.105 1.00 0.00 H new ATOM 108 N GLU A 9 -2.296 11.566 1.878 1.00 0.00 N ATOM 109 CA GLU A 9 -2.589 10.744 3.046 1.00 0.00 C ATOM 110 C GLU A 9 -3.177 9.399 2.634 1.00 0.00 C ATOM 111 O GLU A 9 -4.257 9.335 2.046 1.00 0.00 O ATOM 112 CB GLU A 9 -3.556 11.475 3.980 1.00 0.00 C ATOM 113 CG GLU A 9 -3.171 11.384 5.448 1.00 0.00 C ATOM 114 CD GLU A 9 -2.444 12.621 5.941 1.00 0.00 C ATOM 115 OE1 GLU A 9 -1.705 13.235 5.144 1.00 0.00 O ATOM 116 OE2 GLU A 9 -2.615 12.975 7.127 1.00 0.00 O ATOM 0 H GLU A 9 -1.333 11.897 1.827 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.653 10.561 3.574 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.604 12.525 3.690 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.556 11.062 3.849 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.070 11.233 6.046 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -2.537 10.510 5.600 1.00 0.00 H new ATOM 123 N CYS A 10 -2.459 8.326 2.947 1.00 0.00 N ATOM 124 CA CYS A 10 -2.905 6.979 2.610 1.00 0.00 C ATOM 125 C CYS A 10 -4.425 6.861 2.686 1.00 0.00 C ATOM 126 O CYS A 10 -4.994 6.714 3.767 1.00 0.00 O ATOM 127 CB CYS A 10 -2.260 5.955 3.547 1.00 0.00 C ATOM 128 SG CYS A 10 -1.557 4.505 2.696 1.00 0.00 S ATOM 0 H CYS A 10 -1.564 8.363 3.435 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.597 6.775 1.585 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.471 6.446 4.116 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.006 5.615 4.265 1.00 0.00 H new ATOM 133 N THR A 11 -5.072 6.907 1.526 1.00 0.00 N ATOM 134 CA THR A 11 -6.521 6.785 1.448 1.00 0.00 C ATOM 135 C THR A 11 -6.881 5.539 0.656 1.00 0.00 C ATOM 136 O THR A 11 -6.279 4.484 0.851 1.00 0.00 O ATOM 137 CB THR A 11 -7.132 8.031 0.803 1.00 0.00 C ATOM 138 OG1 THR A 11 -8.458 7.785 0.370 1.00 0.00 O ATOM 139 CG2 THR A 11 -6.346 8.538 -0.386 1.00 0.00 C ATOM 0 H THR A 11 -4.612 7.029 0.624 1.00 0.00 H new ATOM 0 HA THR A 11 -6.928 6.697 2.455 1.00 0.00 H new ATOM 0 HB THR A 11 -7.112 8.791 1.584 1.00 0.00 H new ATOM 0 HG1 THR A 11 -8.825 8.597 -0.037 1.00 0.00 H new ATOM 0 HG21 THR A 11 -6.835 9.422 -0.795 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.335 8.795 -0.071 1.00 0.00 H new ATOM 0 HG23 THR A 11 -6.302 7.762 -1.150 1.00 0.00 H new ATOM 147 N LEU A 12 -7.847 5.654 -0.242 1.00 0.00 N ATOM 148 CA LEU A 12 -8.259 4.520 -1.056 1.00 0.00 C ATOM 149 C LEU A 12 -8.396 4.913 -2.519 1.00 0.00 C ATOM 150 O LEU A 12 -8.938 5.970 -2.841 1.00 0.00 O ATOM 151 CB LEU A 12 -9.585 3.959 -0.550 1.00 0.00 C ATOM 152 CG LEU A 12 -9.465 2.819 0.461 1.00 0.00 C ATOM 153 CD1 LEU A 12 -8.268 3.027 1.366 1.00 0.00 C ATOM 154 CD2 LEU A 12 -10.733 2.713 1.281 1.00 0.00 C ATOM 0 H LEU A 12 -8.359 6.517 -0.426 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.487 3.755 -0.975 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.154 4.769 -0.094 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.162 3.606 -1.405 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.321 1.887 -0.086 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.202 2.204 2.077 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.359 3.061 0.765 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.380 3.966 1.907 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.636 1.898 1.998 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.900 3.648 1.816 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.578 2.517 0.621 1.00 0.00 H new ATOM 166 N GLN A 13 -7.918 4.045 -3.403 1.00 0.00 N ATOM 167 CA GLN A 13 -8.008 4.295 -4.835 1.00 0.00 C ATOM 168 C GLN A 13 -9.278 3.703 -5.384 1.00 0.00 C ATOM 169 O GLN A 13 -9.285 3.073 -6.440 1.00 0.00 O ATOM 170 CB GLN A 13 -6.840 3.687 -5.577 1.00 0.00 C ATOM 171 CG GLN A 13 -5.511 3.848 -4.873 1.00 0.00 C ATOM 172 CD GLN A 13 -4.453 4.478 -5.759 1.00 0.00 C ATOM 173 OE1 GLN A 13 -4.562 5.784 -5.975 1.00 0.00 O flip ATOM 174 NE2 GLN A 13 -3.549 3.799 -6.244 1.00 0.00 N flip ATOM 0 H GLN A 13 -7.466 3.165 -3.154 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.998 5.376 -4.977 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.033 2.625 -5.729 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.774 4.143 -6.565 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.648 4.463 -3.983 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -5.162 2.872 -4.535 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -3.503 2.798 -6.052 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.845 4.237 -6.838 1.00 0.00 H new ATOM 183 N GLU A 14 -10.330 3.890 -4.628 1.00 0.00 N ATOM 184 CA GLU A 14 -11.645 3.359 -4.974 1.00 0.00 C ATOM 185 C GLU A 14 -11.626 2.755 -6.356 1.00 0.00 C ATOM 186 O GLU A 14 -11.354 3.423 -7.352 1.00 0.00 O ATOM 187 CB GLU A 14 -12.742 4.407 -4.889 1.00 0.00 C ATOM 188 CG GLU A 14 -14.111 3.822 -4.554 1.00 0.00 C ATOM 189 CD GLU A 14 -15.006 4.813 -3.834 1.00 0.00 C ATOM 190 OE1 GLU A 14 -14.798 5.028 -2.621 1.00 0.00 O ATOM 191 OE2 GLU A 14 -15.916 5.371 -4.482 1.00 0.00 O ATOM 0 H GLU A 14 -10.310 4.413 -3.753 1.00 0.00 H new ATOM 0 HA GLU A 14 -11.871 2.588 -4.238 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.474 5.143 -4.131 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -12.804 4.936 -5.840 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -14.599 3.498 -5.473 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -13.982 2.936 -3.932 1.00 0.00 H new ATOM 198 N ASN A 15 -11.894 1.478 -6.381 1.00 0.00 N ATOM 199 CA ASN A 15 -11.893 0.708 -7.600 1.00 0.00 C ATOM 200 C ASN A 15 -13.023 1.099 -8.534 1.00 0.00 C ATOM 201 O ASN A 15 -14.174 0.711 -8.335 1.00 0.00 O ATOM 202 CB ASN A 15 -11.974 -0.776 -7.278 1.00 0.00 C ATOM 203 CG ASN A 15 -10.854 -1.561 -7.919 1.00 0.00 C ATOM 204 OD1 ASN A 15 -10.995 -2.087 -9.023 1.00 0.00 O ATOM 205 ND2 ASN A 15 -9.731 -1.644 -7.225 1.00 0.00 N ATOM 0 H ASN A 15 -12.122 0.935 -5.548 1.00 0.00 H new ATOM 0 HA ASN A 15 -10.958 0.924 -8.117 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -11.940 -0.914 -6.197 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -12.932 -1.168 -7.619 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -8.936 -2.160 -7.601 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -9.660 -1.192 -6.314 1.00 0.00 H new ATOM 212 N PRO A 16 -12.692 1.826 -9.610 1.00 0.00 N ATOM 213 CA PRO A 16 -13.653 2.211 -10.621 1.00 0.00 C ATOM 214 C PRO A 16 -13.818 1.056 -11.589 1.00 0.00 C ATOM 215 O PRO A 16 -14.468 1.157 -12.629 1.00 0.00 O ATOM 216 CB PRO A 16 -13.010 3.425 -11.305 1.00 0.00 C ATOM 217 CG PRO A 16 -11.584 3.476 -10.832 1.00 0.00 C ATOM 218 CD PRO A 16 -11.341 2.265 -9.965 1.00 0.00 C ATOM 0 HA PRO A 16 -14.642 2.451 -10.230 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -13.056 3.328 -12.390 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -13.538 4.342 -11.044 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.900 3.481 -11.681 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.401 4.391 -10.269 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -10.794 1.490 -10.502 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.754 2.515 -9.081 1.00 0.00 H new ATOM 226 N PHE A 17 -13.190 -0.047 -11.201 1.00 0.00 N ATOM 227 CA PHE A 17 -13.191 -1.280 -11.957 1.00 0.00 C ATOM 228 C PHE A 17 -14.213 -2.252 -11.389 1.00 0.00 C ATOM 229 O PHE A 17 -15.178 -2.629 -12.054 1.00 0.00 O ATOM 230 CB PHE A 17 -11.798 -1.906 -11.871 1.00 0.00 C ATOM 231 CG PHE A 17 -11.497 -2.866 -12.976 1.00 0.00 C ATOM 232 CD1 PHE A 17 -12.497 -3.651 -13.522 1.00 0.00 C ATOM 233 CD2 PHE A 17 -10.210 -2.979 -13.470 1.00 0.00 C ATOM 234 CE1 PHE A 17 -12.216 -4.536 -14.547 1.00 0.00 C ATOM 235 CE2 PHE A 17 -9.921 -3.860 -14.494 1.00 0.00 C ATOM 236 CZ PHE A 17 -10.927 -4.640 -15.034 1.00 0.00 C ATOM 0 H PHE A 17 -12.657 -0.104 -10.333 1.00 0.00 H new ATOM 0 HA PHE A 17 -13.451 -1.067 -12.994 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -11.052 -1.111 -11.880 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -11.701 -2.424 -10.917 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -13.506 -3.572 -13.144 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -9.422 -2.371 -13.050 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -13.003 -5.145 -14.966 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -8.912 -3.939 -14.872 1.00 0.00 H new ATOM 0 HZ PHE A 17 -10.706 -5.330 -15.835 1.00 0.00 H new ATOM 246 N PHE A 18 -13.974 -2.656 -10.149 1.00 0.00 N ATOM 247 CA PHE A 18 -14.841 -3.594 -9.455 1.00 0.00 C ATOM 248 C PHE A 18 -16.174 -2.944 -9.107 1.00 0.00 C ATOM 249 O PHE A 18 -17.202 -3.618 -9.024 1.00 0.00 O ATOM 250 CB PHE A 18 -14.151 -4.090 -8.183 1.00 0.00 C ATOM 251 CG PHE A 18 -12.752 -4.604 -8.410 1.00 0.00 C ATOM 252 CD1 PHE A 18 -12.147 -4.499 -9.654 1.00 0.00 C ATOM 253 CD2 PHE A 18 -12.040 -5.194 -7.376 1.00 0.00 C ATOM 254 CE1 PHE A 18 -10.866 -4.969 -9.862 1.00 0.00 C ATOM 255 CE2 PHE A 18 -10.756 -5.667 -7.580 1.00 0.00 C ATOM 256 CZ PHE A 18 -10.169 -5.555 -8.825 1.00 0.00 C ATOM 0 H PHE A 18 -13.175 -2.343 -9.598 1.00 0.00 H new ATOM 0 HA PHE A 18 -15.036 -4.440 -10.114 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -14.116 -3.276 -7.459 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -14.752 -4.884 -7.741 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -12.686 -4.043 -10.471 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -12.493 -5.285 -6.400 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -10.409 -4.878 -10.836 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -10.213 -6.124 -6.766 1.00 0.00 H new ATOM 0 HZ PHE A 18 -9.167 -5.925 -8.987 1.00 0.00 H new ATOM 266 N SER A 19 -16.145 -1.631 -8.904 1.00 0.00 N ATOM 267 CA SER A 19 -17.342 -0.878 -8.566 1.00 0.00 C ATOM 268 C SER A 19 -18.581 -1.537 -9.154 1.00 0.00 C ATOM 269 O SER A 19 -18.725 -1.642 -10.372 1.00 0.00 O ATOM 270 CB SER A 19 -17.226 0.560 -9.068 1.00 0.00 C ATOM 271 OG SER A 19 -17.509 0.643 -10.453 1.00 0.00 O ATOM 0 H SER A 19 -15.299 -1.066 -8.969 1.00 0.00 H new ATOM 0 HA SER A 19 -17.439 -0.867 -7.480 1.00 0.00 H new ATOM 0 HB2 SER A 19 -17.915 1.198 -8.514 1.00 0.00 H new ATOM 0 HB3 SER A 19 -16.221 0.935 -8.876 1.00 0.00 H new ATOM 0 HG SER A 19 -17.659 -0.257 -10.811 1.00 0.00 H new ATOM 277 N GLN A 20 -19.468 -1.982 -8.278 1.00 0.00 N ATOM 278 CA GLN A 20 -20.698 -2.640 -8.702 1.00 0.00 C ATOM 279 C GLN A 20 -21.908 -1.745 -8.455 1.00 0.00 C ATOM 280 O GLN A 20 -21.776 -0.623 -7.965 1.00 0.00 O ATOM 281 CB GLN A 20 -20.875 -3.975 -7.970 1.00 0.00 C ATOM 282 CG GLN A 20 -19.564 -4.644 -7.584 1.00 0.00 C ATOM 283 CD GLN A 20 -19.597 -5.219 -6.181 1.00 0.00 C ATOM 284 OE1 GLN A 20 -20.423 -4.827 -5.356 1.00 0.00 O ATOM 285 NE2 GLN A 20 -18.697 -6.156 -5.901 1.00 0.00 N ATOM 0 H GLN A 20 -19.361 -1.900 -7.267 1.00 0.00 H new ATOM 0 HA GLN A 20 -20.623 -2.832 -9.772 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -21.466 -3.809 -7.069 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -21.445 -4.654 -8.605 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -19.343 -5.440 -8.295 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -18.754 -3.918 -7.657 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -18.030 -6.452 -6.614 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -18.673 -6.579 -4.973 1.00 0.00 H new ATOM 294 N PRO A 21 -23.107 -2.238 -8.799 1.00 0.00 N ATOM 295 CA PRO A 21 -24.358 -1.490 -8.623 1.00 0.00 C ATOM 296 C PRO A 21 -24.616 -1.130 -7.163 1.00 0.00 C ATOM 297 O PRO A 21 -25.610 -1.556 -6.574 1.00 0.00 O ATOM 298 CB PRO A 21 -25.436 -2.456 -9.133 1.00 0.00 C ATOM 299 CG PRO A 21 -24.708 -3.442 -9.983 1.00 0.00 C ATOM 300 CD PRO A 21 -23.335 -3.564 -9.390 1.00 0.00 C ATOM 0 HA PRO A 21 -24.338 -0.539 -9.155 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -25.945 -2.950 -8.306 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -26.198 -1.928 -9.707 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -25.218 -4.405 -9.988 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -24.658 -3.103 -11.018 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -23.289 -4.353 -8.639 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -22.588 -3.801 -10.148 1.00 0.00 H new ATOM 308 N GLY A 22 -23.714 -0.343 -6.584 1.00 0.00 N ATOM 309 CA GLY A 22 -23.863 0.063 -5.198 1.00 0.00 C ATOM 310 C GLY A 22 -22.663 -0.305 -4.348 1.00 0.00 C ATOM 311 O GLY A 22 -22.803 -0.592 -3.159 1.00 0.00 O ATOM 0 H GLY A 22 -22.883 0.021 -7.050 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -24.017 1.141 -5.154 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -24.755 -0.404 -4.781 1.00 0.00 H new ATOM 315 N ALA A 23 -21.480 -0.299 -4.953 1.00 0.00 N ATOM 316 CA ALA A 23 -20.260 -0.637 -4.234 1.00 0.00 C ATOM 317 C ALA A 23 -19.032 -0.257 -5.030 1.00 0.00 C ATOM 318 O ALA A 23 -18.729 -0.847 -6.064 1.00 0.00 O ATOM 319 CB ALA A 23 -20.251 -2.113 -3.891 1.00 0.00 C ATOM 0 H ALA A 23 -21.342 -0.065 -5.936 1.00 0.00 H new ATOM 0 HA ALA A 23 -20.237 -0.064 -3.307 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -19.334 -2.356 -3.353 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -21.112 -2.346 -3.264 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -20.300 -2.700 -4.808 1.00 0.00 H new ATOM 325 N PRO A 24 -18.331 0.767 -4.546 1.00 0.00 N ATOM 326 CA PRO A 24 -17.142 1.308 -5.163 1.00 0.00 C ATOM 327 C PRO A 24 -15.856 0.814 -4.517 1.00 0.00 C ATOM 328 O PRO A 24 -15.296 1.456 -3.631 1.00 0.00 O ATOM 329 CB PRO A 24 -17.342 2.802 -4.925 1.00 0.00 C ATOM 330 CG PRO A 24 -18.208 2.913 -3.699 1.00 0.00 C ATOM 331 CD PRO A 24 -18.660 1.525 -3.343 1.00 0.00 C ATOM 0 HA PRO A 24 -17.029 1.018 -6.208 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -16.387 3.305 -4.775 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -17.819 3.274 -5.784 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -17.651 3.359 -2.875 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -19.065 3.559 -3.891 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -18.139 1.141 -2.466 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -19.726 1.490 -3.120 1.00 0.00 H new ATOM 339 N ILE A 25 -15.411 -0.339 -4.980 1.00 0.00 N ATOM 340 CA ILE A 25 -14.210 -0.983 -4.506 1.00 0.00 C ATOM 341 C ILE A 25 -13.037 -0.030 -4.362 1.00 0.00 C ATOM 342 O ILE A 25 -13.199 1.181 -4.475 1.00 0.00 O ATOM 343 CB ILE A 25 -13.875 -2.135 -5.451 1.00 0.00 C ATOM 344 CG1 ILE A 25 -15.024 -3.109 -5.396 1.00 0.00 C ATOM 345 CG2 ILE A 25 -12.603 -2.818 -5.016 1.00 0.00 C ATOM 346 CD1 ILE A 25 -15.469 -3.310 -3.975 1.00 0.00 C ATOM 0 H ILE A 25 -15.889 -0.863 -5.713 1.00 0.00 H new ATOM 0 HA ILE A 25 -14.398 -1.360 -3.501 1.00 0.00 H new ATOM 0 HB ILE A 25 -13.727 -1.764 -6.465 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -15.855 -2.736 -5.995 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -14.722 -4.063 -5.828 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -12.378 -3.637 -5.699 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -11.783 -2.100 -5.027 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -12.728 -3.211 -4.007 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -16.299 -4.016 -3.950 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -14.640 -3.704 -3.386 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -15.791 -2.356 -3.556 1.00 0.00 H new ATOM 358 N LEU A 26 -11.867 -0.583 -4.032 1.00 0.00 N ATOM 359 CA LEU A 26 -10.689 0.226 -3.778 1.00 0.00 C ATOM 360 C LEU A 26 -9.395 -0.528 -3.928 1.00 0.00 C ATOM 361 O LEU A 26 -9.304 -1.553 -4.597 1.00 0.00 O ATOM 362 CB LEU A 26 -10.783 0.703 -2.352 1.00 0.00 C ATOM 363 CG LEU A 26 -12.156 0.493 -1.757 1.00 0.00 C ATOM 364 CD1 LEU A 26 -12.067 0.130 -0.299 1.00 0.00 C ATOM 365 CD2 LEU A 26 -13.030 1.717 -1.954 1.00 0.00 C ATOM 0 H LEU A 26 -11.718 -1.588 -3.936 1.00 0.00 H new ATOM 0 HA LEU A 26 -10.673 1.034 -4.510 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -10.045 0.176 -1.747 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -10.531 1.763 -2.310 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.619 -0.341 -2.284 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -13.070 -0.015 0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.495 -0.791 -0.188 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.571 0.933 0.246 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -14.012 1.537 -1.516 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -12.568 2.576 -1.468 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -13.139 1.918 -3.020 1.00 0.00 H new ATOM 377 N GLN A 27 -8.404 0.021 -3.258 1.00 0.00 N ATOM 378 CA GLN A 27 -7.063 -0.541 -3.235 1.00 0.00 C ATOM 379 C GLN A 27 -6.057 0.461 -2.674 1.00 0.00 C ATOM 380 O GLN A 27 -4.975 0.660 -3.225 1.00 0.00 O ATOM 381 CB GLN A 27 -6.655 -1.007 -4.633 1.00 0.00 C ATOM 382 CG GLN A 27 -5.264 -1.615 -4.695 1.00 0.00 C ATOM 383 CD GLN A 27 -5.271 -3.019 -5.268 1.00 0.00 C ATOM 384 OE1 GLN A 27 -4.876 -3.976 -4.601 1.00 0.00 O ATOM 385 NE2 GLN A 27 -5.721 -3.150 -6.512 1.00 0.00 N ATOM 0 H GLN A 27 -8.503 0.875 -2.709 1.00 0.00 H new ATOM 0 HA GLN A 27 -7.067 -1.408 -2.574 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -7.379 -1.742 -4.987 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -6.702 -0.159 -5.316 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -4.620 -0.980 -5.304 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -4.835 -1.637 -3.693 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.039 -2.330 -7.028 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.749 -4.071 -6.950 1.00 0.00 H new ATOM 394 N CYS A 28 -6.439 1.064 -1.555 1.00 0.00 N ATOM 395 CA CYS A 28 -5.610 2.040 -0.845 1.00 0.00 C ATOM 396 C CYS A 28 -4.977 3.074 -1.777 1.00 0.00 C ATOM 397 O CYS A 28 -4.244 2.737 -2.705 1.00 0.00 O ATOM 398 CB CYS A 28 -4.521 1.330 -0.036 1.00 0.00 C ATOM 399 SG CYS A 28 -4.077 2.178 1.520 1.00 0.00 S ATOM 0 H CYS A 28 -7.339 0.891 -1.108 1.00 0.00 H new ATOM 0 HA CYS A 28 -6.275 2.580 -0.171 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -4.856 0.319 0.196 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -3.628 1.235 -0.654 1.00 0.00 H new ATOM 404 N MET A 29 -5.263 4.342 -1.492 1.00 0.00 N ATOM 405 CA MET A 29 -4.734 5.465 -2.260 1.00 0.00 C ATOM 406 C MET A 29 -3.744 6.267 -1.418 1.00 0.00 C ATOM 407 O MET A 29 -3.651 6.077 -0.206 1.00 0.00 O ATOM 408 CB MET A 29 -5.880 6.376 -2.716 1.00 0.00 C ATOM 409 CG MET A 29 -5.415 7.680 -3.343 1.00 0.00 C ATOM 410 SD MET A 29 -6.786 8.768 -3.779 1.00 0.00 S ATOM 411 CE MET A 29 -7.593 7.808 -5.057 1.00 0.00 C ATOM 0 H MET A 29 -5.869 4.620 -0.720 1.00 0.00 H new ATOM 0 HA MET A 29 -4.216 5.072 -3.135 1.00 0.00 H new ATOM 0 HB2 MET A 29 -6.496 5.837 -3.436 1.00 0.00 H new ATOM 0 HB3 MET A 29 -6.515 6.602 -1.859 1.00 0.00 H new ATOM 0 HG2 MET A 29 -4.753 8.197 -2.649 1.00 0.00 H new ATOM 0 HG3 MET A 29 -4.831 7.461 -4.237 1.00 0.00 H new ATOM 0 HE1 MET A 29 -7.857 8.460 -5.890 1.00 0.00 H new ATOM 0 HE2 MET A 29 -6.917 7.027 -5.407 1.00 0.00 H new ATOM 0 HE3 MET A 29 -8.497 7.351 -4.653 1.00 0.00 H new ATOM 421 N GLY A 30 -3.014 7.170 -2.064 1.00 0.00 N ATOM 422 CA GLY A 30 -2.051 7.992 -1.353 1.00 0.00 C ATOM 423 C GLY A 30 -0.837 7.213 -0.888 1.00 0.00 C ATOM 424 O GLY A 30 -0.526 6.151 -1.426 1.00 0.00 O ATOM 0 H GLY A 30 -3.072 7.348 -3.067 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -1.727 8.806 -2.002 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -2.537 8.447 -0.490 1.00 0.00 H new ATOM 428 N CYS A 31 -0.149 7.748 0.116 1.00 0.00 N ATOM 429 CA CYS A 31 1.041 7.107 0.660 1.00 0.00 C ATOM 430 C CYS A 31 1.188 7.420 2.146 1.00 0.00 C ATOM 431 O CYS A 31 0.359 8.121 2.727 1.00 0.00 O ATOM 432 CB CYS A 31 2.285 7.572 -0.098 1.00 0.00 C ATOM 433 SG CYS A 31 2.903 9.205 0.421 1.00 0.00 S ATOM 0 H CYS A 31 -0.397 8.627 0.570 1.00 0.00 H new ATOM 0 HA CYS A 31 0.935 6.029 0.541 1.00 0.00 H new ATOM 0 HB2 CYS A 31 3.077 6.835 0.038 1.00 0.00 H new ATOM 0 HB3 CYS A 31 2.058 7.603 -1.164 1.00 0.00 H new ATOM 438 N CYS A 32 2.247 6.899 2.755 1.00 0.00 N ATOM 439 CA CYS A 32 2.499 7.126 4.174 1.00 0.00 C ATOM 440 C CYS A 32 3.529 8.234 4.374 1.00 0.00 C ATOM 441 O CYS A 32 4.544 8.038 5.042 1.00 0.00 O ATOM 442 CB CYS A 32 2.983 5.837 4.838 1.00 0.00 C ATOM 443 SG CYS A 32 2.936 5.875 6.659 1.00 0.00 S ATOM 0 H CYS A 32 2.944 6.318 2.290 1.00 0.00 H new ATOM 0 HA CYS A 32 1.564 7.438 4.639 1.00 0.00 H new ATOM 0 HB2 CYS A 32 2.369 5.007 4.487 1.00 0.00 H new ATOM 0 HB3 CYS A 32 4.005 5.636 4.516 1.00 0.00 H new ATOM 448 N PHE A 33 3.259 9.398 3.792 1.00 0.00 N ATOM 449 CA PHE A 33 4.161 10.539 3.905 1.00 0.00 C ATOM 450 C PHE A 33 5.520 10.218 3.292 1.00 0.00 C ATOM 451 O PHE A 33 6.434 9.764 3.980 1.00 0.00 O ATOM 452 CB PHE A 33 4.329 10.943 5.371 1.00 0.00 C ATOM 453 CG PHE A 33 3.037 10.969 6.135 1.00 0.00 C ATOM 454 CD1 PHE A 33 2.087 11.947 5.884 1.00 0.00 C ATOM 455 CD2 PHE A 33 2.772 10.015 7.103 1.00 0.00 C ATOM 456 CE1 PHE A 33 0.897 11.972 6.585 1.00 0.00 C ATOM 457 CE2 PHE A 33 1.584 10.035 7.807 1.00 0.00 C ATOM 458 CZ PHE A 33 0.645 11.014 7.548 1.00 0.00 C ATOM 0 H PHE A 33 2.422 9.576 3.237 1.00 0.00 H new ATOM 0 HA PHE A 33 3.723 11.373 3.357 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.015 10.248 5.855 1.00 0.00 H new ATOM 0 HB3 PHE A 33 4.790 11.930 5.418 1.00 0.00 H new ATOM 0 HD1 PHE A 33 2.279 12.698 5.132 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.502 9.247 7.310 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.165 12.739 6.381 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.389 9.285 8.560 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.285 11.031 8.097 1.00 0.00 H new ATOM 468 N SER A 34 5.642 10.457 1.990 1.00 0.00 N ATOM 469 CA SER A 34 6.885 10.196 1.274 1.00 0.00 C ATOM 470 C SER A 34 6.626 10.058 -0.222 1.00 0.00 C ATOM 471 O SER A 34 5.985 9.105 -0.666 1.00 0.00 O ATOM 472 CB SER A 34 7.550 8.926 1.809 1.00 0.00 C ATOM 473 OG SER A 34 6.593 7.903 2.027 1.00 0.00 O ATOM 0 H SER A 34 4.893 10.832 1.408 1.00 0.00 H new ATOM 0 HA SER A 34 7.555 11.041 1.434 1.00 0.00 H new ATOM 0 HB2 SER A 34 8.303 8.580 1.101 1.00 0.00 H new ATOM 0 HB3 SER A 34 8.068 9.148 2.742 1.00 0.00 H new ATOM 0 HG SER A 34 5.988 7.852 1.258 1.00 0.00 H new ATOM 479 N ARG A 35 7.121 11.018 -0.996 1.00 0.00 N ATOM 480 CA ARG A 35 6.934 11.004 -2.442 1.00 0.00 C ATOM 481 C ARG A 35 8.271 11.061 -3.173 1.00 0.00 C ATOM 482 O ARG A 35 9.296 11.420 -2.592 1.00 0.00 O ATOM 483 CB ARG A 35 6.052 12.177 -2.872 1.00 0.00 C ATOM 484 CG ARG A 35 4.572 11.832 -2.928 1.00 0.00 C ATOM 485 CD ARG A 35 4.091 11.668 -4.360 1.00 0.00 C ATOM 486 NE ARG A 35 3.252 12.785 -4.785 1.00 0.00 N ATOM 487 CZ ARG A 35 1.929 12.806 -4.653 1.00 0.00 C ATOM 488 NH1 ARG A 35 1.296 11.769 -4.121 1.00 0.00 N ATOM 489 NH2 ARG A 35 1.236 13.863 -5.054 1.00 0.00 N ATOM 0 H ARG A 35 7.654 11.814 -0.647 1.00 0.00 H new ATOM 0 HA ARG A 35 6.442 10.068 -2.708 1.00 0.00 H new ATOM 0 HB2 ARG A 35 6.198 13.005 -2.178 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.374 12.523 -3.854 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.391 10.910 -2.375 1.00 0.00 H new ATOM 0 HG3 ARG A 35 3.996 12.617 -2.437 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.951 11.587 -5.025 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.530 10.738 -4.450 1.00 0.00 H new ATOM 0 HE ARG A 35 3.706 13.595 -5.207 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.824 10.953 -3.812 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.281 11.788 -4.021 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.718 14.663 -5.465 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.221 13.876 -4.952 1.00 0.00 H new ATOM 503 N ALA A 36 8.250 10.702 -4.451 1.00 0.00 N ATOM 504 CA ALA A 36 9.454 10.707 -5.272 1.00 0.00 C ATOM 505 C ALA A 36 9.207 9.990 -6.594 1.00 0.00 C ATOM 506 O ALA A 36 8.323 9.138 -6.691 1.00 0.00 O ATOM 507 CB ALA A 36 10.608 10.057 -4.523 1.00 0.00 C ATOM 0 H ALA A 36 7.408 10.402 -4.943 1.00 0.00 H new ATOM 0 HA ALA A 36 9.718 11.742 -5.488 1.00 0.00 H new ATOM 0 HB1 ALA A 36 11.500 10.068 -5.149 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.803 10.610 -3.604 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.349 9.027 -4.279 1.00 0.00 H new ATOM 513 N TYR A 37 9.988 10.337 -7.611 1.00 0.00 N ATOM 514 CA TYR A 37 9.841 9.719 -8.924 1.00 0.00 C ATOM 515 C TYR A 37 10.261 8.249 -8.883 1.00 0.00 C ATOM 516 O TYR A 37 9.432 7.358 -9.059 1.00 0.00 O ATOM 517 CB TYR A 37 10.660 10.479 -9.969 1.00 0.00 C ATOM 518 CG TYR A 37 9.819 11.248 -10.963 1.00 0.00 C ATOM 519 CD1 TYR A 37 8.585 10.766 -11.381 1.00 0.00 C ATOM 520 CD2 TYR A 37 10.262 12.457 -11.484 1.00 0.00 C ATOM 521 CE1 TYR A 37 7.817 11.467 -12.292 1.00 0.00 C ATOM 522 CE2 TYR A 37 9.500 13.164 -12.394 1.00 0.00 C ATOM 523 CZ TYR A 37 8.280 12.665 -12.795 1.00 0.00 C ATOM 524 OH TYR A 37 7.520 13.368 -13.704 1.00 0.00 O ATOM 0 H TYR A 37 10.726 11.039 -7.553 1.00 0.00 H new ATOM 0 HA TYR A 37 8.789 9.766 -9.206 1.00 0.00 H new ATOM 0 HB2 TYR A 37 11.328 11.173 -9.459 1.00 0.00 H new ATOM 0 HB3 TYR A 37 11.288 9.771 -10.510 1.00 0.00 H new ATOM 0 HD1 TYR A 37 8.220 9.829 -10.988 1.00 0.00 H new ATOM 0 HD2 TYR A 37 11.218 12.851 -11.172 1.00 0.00 H new ATOM 0 HE1 TYR A 37 6.860 11.079 -12.608 1.00 0.00 H new ATOM 0 HE2 TYR A 37 9.859 14.103 -12.789 1.00 0.00 H new ATOM 0 HH TYR A 37 7.990 14.190 -13.957 1.00 0.00 H new ATOM 534 N PRO A 38 11.556 7.972 -8.645 1.00 0.00 N ATOM 535 CA PRO A 38 12.071 6.601 -8.579 1.00 0.00 C ATOM 536 C PRO A 38 11.580 5.865 -7.335 1.00 0.00 C ATOM 537 O PRO A 38 10.456 6.076 -6.880 1.00 0.00 O ATOM 538 CB PRO A 38 13.597 6.775 -8.523 1.00 0.00 C ATOM 539 CG PRO A 38 13.853 8.213 -8.834 1.00 0.00 C ATOM 540 CD PRO A 38 12.619 8.959 -8.420 1.00 0.00 C ATOM 0 HA PRO A 38 11.734 6.005 -9.427 1.00 0.00 H new ATOM 0 HB2 PRO A 38 13.985 6.513 -7.539 1.00 0.00 H new ATOM 0 HB3 PRO A 38 14.092 6.125 -9.244 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.727 8.578 -8.295 1.00 0.00 H new ATOM 0 HG3 PRO A 38 14.053 8.351 -9.896 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.666 9.273 -7.377 1.00 0.00 H new ATOM 0 HD3 PRO A 38 12.470 9.858 -9.017 1.00 0.00 H new ATOM 548 N THR A 39 12.433 5.002 -6.789 1.00 0.00 N ATOM 549 CA THR A 39 12.090 4.237 -5.597 1.00 0.00 C ATOM 550 C THR A 39 13.074 4.530 -4.467 1.00 0.00 C ATOM 551 O THR A 39 14.192 4.016 -4.457 1.00 0.00 O ATOM 552 CB THR A 39 12.086 2.739 -5.915 1.00 0.00 C ATOM 553 OG1 THR A 39 10.815 2.332 -6.392 1.00 0.00 O ATOM 554 CG2 THR A 39 12.430 1.868 -4.725 1.00 0.00 C ATOM 0 H THR A 39 13.367 4.816 -7.155 1.00 0.00 H new ATOM 0 HA THR A 39 11.093 4.534 -5.272 1.00 0.00 H new ATOM 0 HB THR A 39 12.857 2.605 -6.674 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.832 1.373 -6.591 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.408 0.820 -5.023 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.427 2.122 -4.364 1.00 0.00 H new ATOM 0 HG23 THR A 39 11.703 2.034 -3.930 1.00 0.00 H new ATOM 562 N PRO A 40 12.665 5.361 -3.495 1.00 0.00 N ATOM 563 CA PRO A 40 13.512 5.718 -2.356 1.00 0.00 C ATOM 564 C PRO A 40 14.243 4.511 -1.782 1.00 0.00 C ATOM 565 O PRO A 40 13.693 3.769 -0.967 1.00 0.00 O ATOM 566 CB PRO A 40 12.511 6.272 -1.346 1.00 0.00 C ATOM 567 CG PRO A 40 11.422 6.857 -2.179 1.00 0.00 C ATOM 568 CD PRO A 40 11.344 6.015 -3.429 1.00 0.00 C ATOM 0 HA PRO A 40 14.300 6.421 -2.628 1.00 0.00 H new ATOM 0 HB2 PRO A 40 12.132 5.487 -0.692 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.969 7.026 -0.706 1.00 0.00 H new ATOM 0 HG2 PRO A 40 10.473 6.845 -1.643 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.636 7.897 -2.424 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.538 5.284 -3.369 1.00 0.00 H new ATOM 0 HD3 PRO A 40 11.155 6.626 -4.312 1.00 0.00 H new ATOM 576 N LEU A 41 15.483 4.316 -2.215 1.00 0.00 N ATOM 577 CA LEU A 41 16.288 3.195 -1.748 1.00 0.00 C ATOM 578 C LEU A 41 16.903 3.489 -0.383 1.00 0.00 C ATOM 579 O LEU A 41 17.615 4.479 -0.210 1.00 0.00 O ATOM 580 CB LEU A 41 17.388 2.880 -2.760 1.00 0.00 C ATOM 581 CG LEU A 41 17.317 1.484 -3.378 1.00 0.00 C ATOM 582 CD1 LEU A 41 16.110 1.367 -4.296 1.00 0.00 C ATOM 583 CD2 LEU A 41 18.601 1.177 -4.134 1.00 0.00 C ATOM 0 H LEU A 41 15.953 4.920 -2.889 1.00 0.00 H new ATOM 0 HA LEU A 41 15.634 2.329 -1.647 1.00 0.00 H new ATOM 0 HB2 LEU A 41 17.346 3.618 -3.561 1.00 0.00 H new ATOM 0 HB3 LEU A 41 18.355 2.995 -2.271 1.00 0.00 H new ATOM 0 HG LEU A 41 17.206 0.753 -2.577 1.00 0.00 H new ATOM 0 HD11 LEU A 41 16.076 0.366 -4.727 1.00 0.00 H new ATOM 0 HD12 LEU A 41 15.199 1.547 -3.725 1.00 0.00 H new ATOM 0 HD13 LEU A 41 16.188 2.104 -5.096 1.00 0.00 H new ATOM 0 HD21 LEU A 41 18.537 0.180 -4.569 1.00 0.00 H new ATOM 0 HD22 LEU A 41 18.740 1.911 -4.928 1.00 0.00 H new ATOM 0 HD23 LEU A 41 19.447 1.220 -3.447 1.00 0.00 H new ATOM 595 N ARG A 42 16.624 2.618 0.581 1.00 0.00 N ATOM 596 CA ARG A 42 17.145 2.772 1.934 1.00 0.00 C ATOM 597 C ARG A 42 17.254 1.413 2.619 1.00 0.00 C ATOM 598 O ARG A 42 16.280 0.663 2.689 1.00 0.00 O ATOM 599 CB ARG A 42 16.246 3.727 2.737 1.00 0.00 C ATOM 600 CG ARG A 42 15.717 3.161 4.050 1.00 0.00 C ATOM 601 CD ARG A 42 16.442 3.756 5.247 1.00 0.00 C ATOM 602 NE ARG A 42 17.395 2.819 5.835 1.00 0.00 N ATOM 603 CZ ARG A 42 17.058 1.624 6.308 1.00 0.00 C ATOM 604 NH1 ARG A 42 15.797 1.217 6.251 1.00 0.00 N ATOM 605 NH2 ARG A 42 17.982 0.833 6.836 1.00 0.00 N ATOM 0 H ARG A 42 16.037 1.794 0.449 1.00 0.00 H new ATOM 0 HA ARG A 42 18.145 3.203 1.884 1.00 0.00 H new ATOM 0 HB2 ARG A 42 16.807 4.637 2.951 1.00 0.00 H new ATOM 0 HB3 ARG A 42 15.398 4.014 2.115 1.00 0.00 H new ATOM 0 HG2 ARG A 42 14.650 3.366 4.132 1.00 0.00 H new ATOM 0 HG3 ARG A 42 15.835 2.077 4.054 1.00 0.00 H new ATOM 0 HD2 ARG A 42 16.967 4.660 4.939 1.00 0.00 H new ATOM 0 HD3 ARG A 42 15.713 4.052 6.001 1.00 0.00 H new ATOM 0 HE ARG A 42 18.375 3.098 5.886 1.00 0.00 H new ATOM 0 HH11 ARG A 42 15.084 1.822 5.843 1.00 0.00 H new ATOM 0 HH12 ARG A 42 15.540 0.299 6.615 1.00 0.00 H new ATOM 0 HH21 ARG A 42 18.953 1.142 6.880 1.00 0.00 H new ATOM 0 HH22 ARG A 42 17.722 -0.084 7.199 1.00 0.00 H new ATOM 619 N SER A 43 18.445 1.095 3.116 1.00 0.00 N ATOM 620 CA SER A 43 18.671 -0.180 3.788 1.00 0.00 C ATOM 621 C SER A 43 19.969 -0.158 4.587 1.00 0.00 C ATOM 622 O SER A 43 20.576 0.895 4.779 1.00 0.00 O ATOM 623 CB SER A 43 18.713 -1.317 2.766 1.00 0.00 C ATOM 624 OG SER A 43 18.223 -0.889 1.507 1.00 0.00 O ATOM 0 H SER A 43 19.265 1.699 3.067 1.00 0.00 H new ATOM 0 HA SER A 43 17.844 -0.346 4.479 1.00 0.00 H new ATOM 0 HB2 SER A 43 19.737 -1.676 2.659 1.00 0.00 H new ATOM 0 HB3 SER A 43 18.117 -2.156 3.126 1.00 0.00 H new ATOM 0 HG SER A 43 17.815 -1.648 1.040 1.00 0.00 H new ATOM 630 N LYS A 44 20.390 -1.332 5.047 1.00 0.00 N ATOM 631 CA LYS A 44 21.617 -1.453 5.823 1.00 0.00 C ATOM 632 C LYS A 44 22.684 -2.201 5.033 1.00 0.00 C ATOM 633 O LYS A 44 23.840 -2.276 5.447 1.00 0.00 O ATOM 634 CB LYS A 44 21.342 -2.181 7.140 1.00 0.00 C ATOM 635 CG LYS A 44 21.017 -3.655 6.963 1.00 0.00 C ATOM 636 CD LYS A 44 20.266 -4.210 8.162 1.00 0.00 C ATOM 637 CE LYS A 44 20.081 -5.715 8.057 1.00 0.00 C ATOM 638 NZ LYS A 44 18.877 -6.070 7.258 1.00 0.00 N ATOM 0 H LYS A 44 19.899 -2.213 4.895 1.00 0.00 H new ATOM 0 HA LYS A 44 21.983 -0.449 6.039 1.00 0.00 H new ATOM 0 HB2 LYS A 44 22.213 -2.085 7.788 1.00 0.00 H new ATOM 0 HB3 LYS A 44 20.511 -1.693 7.649 1.00 0.00 H new ATOM 0 HG2 LYS A 44 20.417 -3.790 6.063 1.00 0.00 H new ATOM 0 HG3 LYS A 44 21.940 -4.217 6.819 1.00 0.00 H new ATOM 0 HD2 LYS A 44 20.811 -3.972 9.076 1.00 0.00 H new ATOM 0 HD3 LYS A 44 19.292 -3.727 8.237 1.00 0.00 H new ATOM 0 HE2 LYS A 44 20.965 -6.159 7.599 1.00 0.00 H new ATOM 0 HE3 LYS A 44 19.992 -6.141 9.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 18.785 -7.105 7.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 18.030 -5.668 7.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.973 -5.686 6.296 1.00 0.00 H new ATOM 652 N LYS A 45 22.286 -2.754 3.892 1.00 0.00 N ATOM 653 CA LYS A 45 23.206 -3.501 3.043 1.00 0.00 C ATOM 654 C LYS A 45 23.646 -2.668 1.843 1.00 0.00 C ATOM 655 O LYS A 45 23.112 -2.817 0.743 1.00 0.00 O ATOM 656 CB LYS A 45 22.551 -4.797 2.565 1.00 0.00 C ATOM 657 CG LYS A 45 23.215 -5.398 1.337 1.00 0.00 C ATOM 658 CD LYS A 45 23.132 -6.916 1.347 1.00 0.00 C ATOM 659 CE LYS A 45 24.385 -7.545 0.761 1.00 0.00 C ATOM 660 NZ LYS A 45 24.380 -9.028 0.896 1.00 0.00 N ATOM 0 H LYS A 45 21.332 -2.699 3.534 1.00 0.00 H new ATOM 0 HA LYS A 45 24.089 -3.742 3.635 1.00 0.00 H new ATOM 0 HB2 LYS A 45 22.575 -5.527 3.374 1.00 0.00 H new ATOM 0 HB3 LYS A 45 21.502 -4.603 2.342 1.00 0.00 H new ATOM 0 HG2 LYS A 45 22.736 -5.012 0.437 1.00 0.00 H new ATOM 0 HG3 LYS A 45 24.260 -5.090 1.299 1.00 0.00 H new ATOM 0 HD2 LYS A 45 22.991 -7.267 2.369 1.00 0.00 H new ATOM 0 HD3 LYS A 45 22.261 -7.238 0.776 1.00 0.00 H new ATOM 0 HE2 LYS A 45 24.467 -7.277 -0.292 1.00 0.00 H new ATOM 0 HE3 LYS A 45 25.263 -7.138 1.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 25.252 -9.417 0.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 24.328 -9.285 1.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 23.556 -9.419 0.396 1.00 0.00 H new ATOM 674 N THR A 46 24.625 -1.796 2.059 1.00 0.00 N ATOM 675 CA THR A 46 25.142 -0.944 0.993 1.00 0.00 C ATOM 676 C THR A 46 26.442 -1.515 0.436 1.00 0.00 C ATOM 677 O THR A 46 27.362 -1.834 1.188 1.00 0.00 O ATOM 678 CB THR A 46 25.372 0.477 1.510 1.00 0.00 C ATOM 679 OG1 THR A 46 24.219 0.960 2.177 1.00 0.00 O ATOM 680 CG2 THR A 46 25.717 1.463 0.416 1.00 0.00 C ATOM 0 H THR A 46 25.077 -1.660 2.963 1.00 0.00 H new ATOM 0 HA THR A 46 24.403 -0.911 0.192 1.00 0.00 H new ATOM 0 HB THR A 46 26.220 0.404 2.191 1.00 0.00 H new ATOM 0 HG1 THR A 46 24.386 1.869 2.502 1.00 0.00 H new ATOM 0 HG21 THR A 46 25.867 2.451 0.851 1.00 0.00 H new ATOM 0 HG22 THR A 46 26.631 1.145 -0.086 1.00 0.00 H new ATOM 0 HG23 THR A 46 24.902 1.505 -0.306 1.00 0.00 H new ATOM 688 N MET A 47 26.512 -1.649 -0.885 1.00 0.00 N ATOM 689 CA MET A 47 27.703 -2.192 -1.530 1.00 0.00 C ATOM 690 C MET A 47 27.971 -1.505 -2.865 1.00 0.00 C ATOM 691 O MET A 47 27.355 -0.490 -3.191 1.00 0.00 O ATOM 692 CB MET A 47 27.548 -3.698 -1.743 1.00 0.00 C ATOM 693 CG MET A 47 26.229 -4.252 -1.230 1.00 0.00 C ATOM 694 SD MET A 47 24.912 -4.158 -2.458 1.00 0.00 S ATOM 695 CE MET A 47 24.577 -5.896 -2.727 1.00 0.00 C ATOM 0 H MET A 47 25.763 -1.391 -1.527 1.00 0.00 H new ATOM 0 HA MET A 47 28.553 -2.006 -0.874 1.00 0.00 H new ATOM 0 HB2 MET A 47 27.635 -3.917 -2.807 1.00 0.00 H new ATOM 0 HB3 MET A 47 28.368 -4.214 -1.243 1.00 0.00 H new ATOM 0 HG2 MET A 47 26.368 -5.291 -0.930 1.00 0.00 H new ATOM 0 HG3 MET A 47 25.930 -3.700 -0.339 1.00 0.00 H new ATOM 0 HE1 MET A 47 24.419 -6.076 -3.790 1.00 0.00 H new ATOM 0 HE2 MET A 47 25.424 -6.488 -2.381 1.00 0.00 H new ATOM 0 HE3 MET A 47 23.683 -6.184 -2.174 1.00 0.00 H new ATOM 705 N LEU A 48 28.897 -2.071 -3.632 1.00 0.00 N ATOM 706 CA LEU A 48 29.256 -1.522 -4.934 1.00 0.00 C ATOM 707 C LEU A 48 28.056 -1.520 -5.874 1.00 0.00 C ATOM 708 O LEU A 48 26.964 -1.953 -5.503 1.00 0.00 O ATOM 709 CB LEU A 48 30.403 -2.328 -5.546 1.00 0.00 C ATOM 710 CG LEU A 48 31.715 -2.278 -4.761 1.00 0.00 C ATOM 711 CD1 LEU A 48 32.172 -3.680 -4.394 1.00 0.00 C ATOM 712 CD2 LEU A 48 32.788 -1.557 -5.563 1.00 0.00 C ATOM 0 H LEU A 48 29.413 -2.912 -3.373 1.00 0.00 H new ATOM 0 HA LEU A 48 29.580 -0.491 -4.793 1.00 0.00 H new ATOM 0 HB2 LEU A 48 30.090 -3.368 -5.636 1.00 0.00 H new ATOM 0 HB3 LEU A 48 30.587 -1.962 -6.556 1.00 0.00 H new ATOM 0 HG LEU A 48 31.544 -1.722 -3.839 1.00 0.00 H new ATOM 0 HD11 LEU A 48 33.107 -3.624 -3.836 1.00 0.00 H new ATOM 0 HD12 LEU A 48 31.411 -4.162 -3.780 1.00 0.00 H new ATOM 0 HD13 LEU A 48 32.326 -4.262 -5.303 1.00 0.00 H new ATOM 0 HD21 LEU A 48 33.715 -1.531 -4.990 1.00 0.00 H new ATOM 0 HD22 LEU A 48 32.957 -2.085 -6.502 1.00 0.00 H new ATOM 0 HD23 LEU A 48 32.462 -0.538 -5.773 1.00 0.00 H new ATOM 724 N VAL A 49 28.263 -1.026 -7.090 1.00 0.00 N ATOM 725 CA VAL A 49 27.196 -0.961 -8.080 1.00 0.00 C ATOM 726 C VAL A 49 26.402 -2.264 -8.131 1.00 0.00 C ATOM 727 O VAL A 49 26.908 -3.290 -8.584 1.00 0.00 O ATOM 728 CB VAL A 49 27.748 -0.657 -9.486 1.00 0.00 C ATOM 729 CG1 VAL A 49 27.934 0.839 -9.675 1.00 0.00 C ATOM 730 CG2 VAL A 49 29.054 -1.400 -9.719 1.00 0.00 C ATOM 0 H VAL A 49 29.161 -0.665 -7.413 1.00 0.00 H new ATOM 0 HA VAL A 49 26.536 -0.150 -7.772 1.00 0.00 H new ATOM 0 HB VAL A 49 27.024 -1.004 -10.223 1.00 0.00 H new ATOM 0 HG11 VAL A 49 28.325 1.034 -10.674 1.00 0.00 H new ATOM 0 HG12 VAL A 49 26.975 1.343 -9.556 1.00 0.00 H new ATOM 0 HG13 VAL A 49 28.636 1.215 -8.931 1.00 0.00 H new ATOM 0 HG21 VAL A 49 29.429 -1.173 -10.717 1.00 0.00 H new ATOM 0 HG22 VAL A 49 29.788 -1.088 -8.976 1.00 0.00 H new ATOM 0 HG23 VAL A 49 28.883 -2.473 -9.631 1.00 0.00 H new ATOM 740 N GLN A 50 25.153 -2.202 -7.664 1.00 0.00 N ATOM 741 CA GLN A 50 24.254 -3.360 -7.646 1.00 0.00 C ATOM 742 C GLN A 50 23.648 -3.554 -6.260 1.00 0.00 C ATOM 743 O GLN A 50 24.309 -3.334 -5.245 1.00 0.00 O ATOM 744 CB GLN A 50 24.980 -4.637 -8.076 1.00 0.00 C ATOM 745 CG GLN A 50 24.096 -5.874 -8.055 1.00 0.00 C ATOM 746 CD GLN A 50 24.577 -6.955 -9.004 1.00 0.00 C ATOM 747 OE1 GLN A 50 24.244 -6.950 -10.189 1.00 0.00 O ATOM 748 NE2 GLN A 50 25.363 -7.891 -8.486 1.00 0.00 N ATOM 0 H GLN A 50 24.736 -1.350 -7.288 1.00 0.00 H new ATOM 0 HA GLN A 50 23.454 -3.161 -8.359 1.00 0.00 H new ATOM 0 HB2 GLN A 50 25.375 -4.499 -9.083 1.00 0.00 H new ATOM 0 HB3 GLN A 50 25.834 -4.799 -7.418 1.00 0.00 H new ATOM 0 HG2 GLN A 50 24.063 -6.274 -7.042 1.00 0.00 H new ATOM 0 HG3 GLN A 50 23.077 -5.592 -8.319 1.00 0.00 H new ATOM 0 HE21 GLN A 50 25.614 -7.857 -7.498 1.00 0.00 H new ATOM 0 HE22 GLN A 50 25.716 -8.645 -9.076 1.00 0.00 H new ATOM 757 N LYS A 51 22.384 -3.966 -6.226 1.00 0.00 N ATOM 758 CA LYS A 51 21.683 -4.190 -4.967 1.00 0.00 C ATOM 759 C LYS A 51 20.461 -5.080 -5.180 1.00 0.00 C ATOM 760 O LYS A 51 19.545 -4.722 -5.920 1.00 0.00 O ATOM 761 CB LYS A 51 21.257 -2.851 -4.359 1.00 0.00 C ATOM 762 CG LYS A 51 21.185 -2.863 -2.840 1.00 0.00 C ATOM 763 CD LYS A 51 19.827 -3.336 -2.348 1.00 0.00 C ATOM 764 CE LYS A 51 19.813 -3.504 -0.836 1.00 0.00 C ATOM 765 NZ LYS A 51 18.437 -3.718 -0.309 1.00 0.00 N ATOM 0 H LYS A 51 21.824 -4.152 -7.058 1.00 0.00 H new ATOM 0 HA LYS A 51 22.362 -4.695 -4.280 1.00 0.00 H new ATOM 0 HB2 LYS A 51 21.959 -2.079 -4.674 1.00 0.00 H new ATOM 0 HB3 LYS A 51 20.281 -2.576 -4.758 1.00 0.00 H new ATOM 0 HG2 LYS A 51 21.964 -3.515 -2.443 1.00 0.00 H new ATOM 0 HG3 LYS A 51 21.382 -1.861 -2.458 1.00 0.00 H new ATOM 0 HD2 LYS A 51 19.061 -2.619 -2.643 1.00 0.00 H new ATOM 0 HD3 LYS A 51 19.576 -4.284 -2.823 1.00 0.00 H new ATOM 0 HE2 LYS A 51 20.442 -4.350 -0.560 1.00 0.00 H new ATOM 0 HE3 LYS A 51 20.246 -2.619 -0.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 18.474 -3.828 0.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 17.842 -2.900 -0.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 18.032 -4.577 -0.734 1.00 0.00 H new ATOM 779 N ASN A 52 20.454 -6.244 -4.534 1.00 0.00 N ATOM 780 CA ASN A 52 19.343 -7.182 -4.663 1.00 0.00 C ATOM 781 C ASN A 52 18.216 -6.838 -3.694 1.00 0.00 C ATOM 782 O ASN A 52 18.425 -6.135 -2.706 1.00 0.00 O ATOM 783 CB ASN A 52 19.827 -8.615 -4.430 1.00 0.00 C ATOM 784 CG ASN A 52 20.008 -9.373 -5.730 1.00 0.00 C ATOM 785 OD1 ASN A 52 19.108 -10.084 -6.175 1.00 0.00 O ATOM 786 ND2 ASN A 52 21.179 -9.223 -6.344 1.00 0.00 N ATOM 0 H ASN A 52 21.203 -6.559 -3.918 1.00 0.00 H new ATOM 0 HA ASN A 52 18.951 -7.103 -5.677 1.00 0.00 H new ATOM 0 HB2 ASN A 52 20.772 -8.594 -3.888 1.00 0.00 H new ATOM 0 HB3 ASN A 52 19.110 -9.142 -3.800 1.00 0.00 H new ATOM 0 HD22 ASN A 52 21.895 -8.622 -5.936 1.00 0.00 H new ATOM 791 N VAL A 53 17.017 -7.332 -3.991 1.00 0.00 N ATOM 792 CA VAL A 53 15.853 -7.070 -3.154 1.00 0.00 C ATOM 793 C VAL A 53 15.495 -5.588 -3.176 1.00 0.00 C ATOM 794 O VAL A 53 16.376 -4.728 -3.175 1.00 0.00 O ATOM 795 CB VAL A 53 16.091 -7.509 -1.697 1.00 0.00 C ATOM 796 CG1 VAL A 53 14.879 -7.182 -0.839 1.00 0.00 C ATOM 797 CG2 VAL A 53 16.412 -8.995 -1.630 1.00 0.00 C ATOM 0 H VAL A 53 16.827 -7.916 -4.806 1.00 0.00 H new ATOM 0 HA VAL A 53 15.028 -7.652 -3.564 1.00 0.00 H new ATOM 0 HB VAL A 53 16.947 -6.958 -1.307 1.00 0.00 H new ATOM 0 HG11 VAL A 53 15.064 -7.499 0.187 1.00 0.00 H new ATOM 0 HG12 VAL A 53 14.698 -6.107 -0.860 1.00 0.00 H new ATOM 0 HG13 VAL A 53 14.006 -7.705 -1.228 1.00 0.00 H new ATOM 0 HG21 VAL A 53 16.577 -9.285 -0.592 1.00 0.00 H new ATOM 0 HG22 VAL A 53 15.578 -9.566 -2.039 1.00 0.00 H new ATOM 0 HG23 VAL A 53 17.311 -9.200 -2.211 1.00 0.00 H new ATOM 807 N THR A 54 14.199 -5.294 -3.202 1.00 0.00 N ATOM 808 CA THR A 54 13.731 -3.912 -3.231 1.00 0.00 C ATOM 809 C THR A 54 13.264 -3.464 -1.848 1.00 0.00 C ATOM 810 O THR A 54 12.911 -4.288 -1.004 1.00 0.00 O ATOM 811 CB THR A 54 12.599 -3.761 -4.255 1.00 0.00 C ATOM 812 OG1 THR A 54 12.928 -2.778 -5.220 1.00 0.00 O ATOM 813 CG2 THR A 54 11.269 -3.374 -3.643 1.00 0.00 C ATOM 0 H THR A 54 13.455 -5.992 -3.204 1.00 0.00 H new ATOM 0 HA THR A 54 14.563 -3.273 -3.528 1.00 0.00 H new ATOM 0 HB THR A 54 12.492 -4.747 -4.707 1.00 0.00 H new ATOM 0 HG1 THR A 54 12.196 -2.696 -5.866 1.00 0.00 H new ATOM 0 HG21 THR A 54 10.519 -3.286 -4.429 1.00 0.00 H new ATOM 0 HG22 THR A 54 10.960 -4.139 -2.930 1.00 0.00 H new ATOM 0 HG23 THR A 54 11.369 -2.418 -3.129 1.00 0.00 H new ATOM 821 N SER A 55 13.269 -2.153 -1.624 1.00 0.00 N ATOM 822 CA SER A 55 12.851 -1.592 -0.344 1.00 0.00 C ATOM 823 C SER A 55 11.332 -1.612 -0.206 1.00 0.00 C ATOM 824 O SER A 55 10.650 -0.672 -0.617 1.00 0.00 O ATOM 825 CB SER A 55 13.367 -0.159 -0.199 1.00 0.00 C ATOM 826 OG SER A 55 13.156 0.329 1.115 1.00 0.00 O ATOM 0 H SER A 55 13.558 -1.459 -2.313 1.00 0.00 H new ATOM 0 HA SER A 55 13.277 -2.208 0.448 1.00 0.00 H new ATOM 0 HB2 SER A 55 14.430 -0.126 -0.436 1.00 0.00 H new ATOM 0 HB3 SER A 55 12.861 0.487 -0.916 1.00 0.00 H new ATOM 0 HG SER A 55 13.496 1.246 1.182 1.00 0.00 H new ATOM 832 N GLU A 56 10.808 -2.683 0.381 1.00 0.00 N ATOM 833 CA GLU A 56 9.370 -2.817 0.581 1.00 0.00 C ATOM 834 C GLU A 56 8.902 -1.896 1.703 1.00 0.00 C ATOM 835 O GLU A 56 8.300 -2.343 2.679 1.00 0.00 O ATOM 836 CB GLU A 56 9.013 -4.267 0.913 1.00 0.00 C ATOM 837 CG GLU A 56 9.792 -5.286 0.097 1.00 0.00 C ATOM 838 CD GLU A 56 9.058 -5.710 -1.159 1.00 0.00 C ATOM 839 OE1 GLU A 56 7.901 -5.278 -1.343 1.00 0.00 O ATOM 840 OE2 GLU A 56 9.642 -6.470 -1.959 1.00 0.00 O ATOM 0 H GLU A 56 11.357 -3.470 0.726 1.00 0.00 H new ATOM 0 HA GLU A 56 8.865 -2.532 -0.342 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.197 -4.445 1.973 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.947 -4.418 0.745 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.759 -4.864 -0.177 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.990 -6.164 0.712 1.00 0.00 H new ATOM 847 N SER A 57 9.194 -0.608 1.560 1.00 0.00 N ATOM 848 CA SER A 57 8.818 0.379 2.563 1.00 0.00 C ATOM 849 C SER A 57 7.303 0.502 2.684 1.00 0.00 C ATOM 850 O SER A 57 6.556 0.009 1.839 1.00 0.00 O ATOM 851 CB SER A 57 9.422 1.740 2.217 1.00 0.00 C ATOM 852 OG SER A 57 9.118 2.111 0.883 1.00 0.00 O ATOM 0 H SER A 57 9.691 -0.223 0.757 1.00 0.00 H new ATOM 0 HA SER A 57 9.209 0.042 3.523 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.040 2.496 2.904 1.00 0.00 H new ATOM 0 HB3 SER A 57 10.503 1.706 2.350 1.00 0.00 H new ATOM 0 HG SER A 57 9.515 2.986 0.688 1.00 0.00 H new ATOM 858 N THR A 58 6.863 1.173 3.742 1.00 0.00 N ATOM 859 CA THR A 58 5.442 1.380 3.988 1.00 0.00 C ATOM 860 C THR A 58 4.673 0.065 3.967 1.00 0.00 C ATOM 861 O THR A 58 5.167 -0.952 3.480 1.00 0.00 O ATOM 862 CB THR A 58 4.858 2.331 2.944 1.00 0.00 C ATOM 863 OG1 THR A 58 5.283 1.969 1.642 1.00 0.00 O ATOM 864 CG2 THR A 58 5.242 3.775 3.170 1.00 0.00 C ATOM 0 H THR A 58 7.475 1.585 4.447 1.00 0.00 H new ATOM 0 HA THR A 58 5.341 1.819 4.981 1.00 0.00 H new ATOM 0 HB THR A 58 3.776 2.241 3.044 1.00 0.00 H new ATOM 0 HG1 THR A 58 5.395 0.997 1.593 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.795 4.396 2.394 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.882 4.099 4.147 1.00 0.00 H new ATOM 0 HG23 THR A 58 6.327 3.873 3.133 1.00 0.00 H new ATOM 872 N CYS A 59 3.454 0.104 4.491 1.00 0.00 N ATOM 873 CA CYS A 59 2.589 -1.069 4.532 1.00 0.00 C ATOM 874 C CYS A 59 1.173 -0.667 4.886 1.00 0.00 C ATOM 875 O CYS A 59 0.716 -0.844 6.016 1.00 0.00 O ATOM 876 CB CYS A 59 3.079 -2.078 5.545 1.00 0.00 C ATOM 877 SG CYS A 59 4.368 -3.209 4.928 1.00 0.00 S ATOM 0 H CYS A 59 3.039 0.943 4.897 1.00 0.00 H new ATOM 0 HA CYS A 59 2.609 -1.524 3.542 1.00 0.00 H new ATOM 0 HB2 CYS A 59 3.468 -1.543 6.412 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.230 -2.669 5.889 1.00 0.00 H new ATOM 882 N CYS A 60 0.496 -0.127 3.906 1.00 0.00 N ATOM 883 CA CYS A 60 -0.881 0.322 4.064 1.00 0.00 C ATOM 884 C CYS A 60 -1.852 -0.800 3.731 1.00 0.00 C ATOM 885 O CYS A 60 -2.754 -0.634 2.909 1.00 0.00 O ATOM 886 CB CYS A 60 -1.151 1.532 3.167 1.00 0.00 C ATOM 887 SG CYS A 60 -1.716 3.013 4.065 1.00 0.00 S ATOM 0 H CYS A 60 0.876 0.018 2.971 1.00 0.00 H new ATOM 0 HA CYS A 60 -1.029 0.613 5.104 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -0.240 1.777 2.621 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -1.903 1.261 2.426 1.00 0.00 H new ATOM 892 N VAL A 61 -1.657 -1.945 4.371 1.00 0.00 N ATOM 893 CA VAL A 61 -2.509 -3.103 4.142 1.00 0.00 C ATOM 894 C VAL A 61 -3.918 -2.874 4.671 1.00 0.00 C ATOM 895 O VAL A 61 -4.429 -3.672 5.455 1.00 0.00 O ATOM 896 CB VAL A 61 -1.931 -4.366 4.804 1.00 0.00 C ATOM 897 CG1 VAL A 61 -2.003 -4.250 6.318 1.00 0.00 C ATOM 898 CG2 VAL A 61 -2.668 -5.606 4.321 1.00 0.00 C ATOM 0 H VAL A 61 -0.915 -2.096 5.054 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.550 -3.247 3.062 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.884 -4.461 4.518 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.590 -5.151 6.772 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.428 -3.383 6.644 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.042 -4.132 6.625 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.246 -6.490 4.800 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.724 -5.524 4.577 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.563 -5.694 3.240 1.00 0.00 H new ATOM 908 N ALA A 62 -4.546 -1.789 4.227 1.00 0.00 N ATOM 909 CA ALA A 62 -5.904 -1.464 4.648 1.00 0.00 C ATOM 910 C ALA A 62 -6.132 -1.805 6.120 1.00 0.00 C ATOM 911 O ALA A 62 -6.204 -2.974 6.495 1.00 0.00 O ATOM 912 CB ALA A 62 -6.900 -2.195 3.763 1.00 0.00 C ATOM 0 H ALA A 62 -4.135 -1.120 3.576 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.051 -0.389 4.541 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -7.914 -1.951 4.079 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.759 -1.889 2.726 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.742 -3.270 3.848 1.00 0.00 H new ATOM 918 N LYS A 63 -6.269 -0.772 6.948 1.00 0.00 N ATOM 919 CA LYS A 63 -6.511 -0.965 8.371 1.00 0.00 C ATOM 920 C LYS A 63 -7.658 -1.939 8.545 1.00 0.00 C ATOM 921 O LYS A 63 -7.690 -2.743 9.477 1.00 0.00 O ATOM 922 CB LYS A 63 -6.851 0.368 9.038 1.00 0.00 C ATOM 923 CG LYS A 63 -7.113 0.255 10.530 1.00 0.00 C ATOM 924 CD LYS A 63 -5.842 -0.076 11.290 1.00 0.00 C ATOM 925 CE LYS A 63 -6.093 -0.163 12.787 1.00 0.00 C ATOM 926 NZ LYS A 63 -5.329 -1.275 13.418 1.00 0.00 N ATOM 0 H LYS A 63 -6.216 0.204 6.657 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.613 -1.364 8.842 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.030 1.066 8.874 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.731 0.792 8.555 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.527 1.193 10.901 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.860 -0.517 10.713 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.439 -1.024 10.932 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.089 0.686 11.090 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.814 0.780 13.257 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.158 -0.307 12.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.529 -1.298 14.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.613 -2.179 12.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.311 -1.125 13.268 1.00 0.00 H new ATOM 940 N SER A 64 -8.590 -1.856 7.610 1.00 0.00 N ATOM 941 CA SER A 64 -9.759 -2.719 7.592 1.00 0.00 C ATOM 942 C SER A 64 -10.251 -2.878 6.165 1.00 0.00 C ATOM 943 O SER A 64 -10.759 -1.933 5.563 1.00 0.00 O ATOM 944 CB SER A 64 -10.872 -2.146 8.462 1.00 0.00 C ATOM 945 OG SER A 64 -10.459 -0.951 9.103 1.00 0.00 O ATOM 0 H SER A 64 -8.557 -1.187 6.841 1.00 0.00 H new ATOM 0 HA SER A 64 -9.478 -3.692 7.994 1.00 0.00 H new ATOM 0 HB2 SER A 64 -11.751 -1.947 7.848 1.00 0.00 H new ATOM 0 HB3 SER A 64 -11.166 -2.881 9.212 1.00 0.00 H new ATOM 0 HG SER A 64 -11.192 -0.605 9.653 1.00 0.00 H new ATOM 951 N TYR A 65 -10.072 -4.068 5.619 1.00 0.00 N ATOM 952 CA TYR A 65 -10.470 -4.341 4.249 1.00 0.00 C ATOM 953 C TYR A 65 -11.829 -5.006 4.169 1.00 0.00 C ATOM 954 O TYR A 65 -12.293 -5.624 5.127 1.00 0.00 O ATOM 955 CB TYR A 65 -9.443 -5.259 3.587 1.00 0.00 C ATOM 956 CG TYR A 65 -8.868 -6.291 4.530 1.00 0.00 C ATOM 957 CD1 TYR A 65 -9.583 -7.437 4.853 1.00 0.00 C ATOM 958 CD2 TYR A 65 -7.614 -6.117 5.101 1.00 0.00 C ATOM 959 CE1 TYR A 65 -9.063 -8.382 5.718 1.00 0.00 C ATOM 960 CE2 TYR A 65 -7.088 -7.056 5.966 1.00 0.00 C ATOM 961 CZ TYR A 65 -7.816 -8.186 6.271 1.00 0.00 C ATOM 962 OH TYR A 65 -7.295 -9.123 7.134 1.00 0.00 O ATOM 0 H TYR A 65 -9.653 -4.862 6.104 1.00 0.00 H new ATOM 0 HA TYR A 65 -10.525 -3.382 3.734 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.911 -5.768 2.744 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -8.631 -4.653 3.183 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -10.561 -7.592 4.422 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.041 -5.233 4.865 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.631 -9.269 5.959 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -6.111 -6.906 6.401 1.00 0.00 H new ATOM 0 HH TYR A 65 -6.408 -8.834 7.433 1.00 0.00 H new ATOM 972 N ASN A 66 -12.433 -4.924 2.992 1.00 0.00 N ATOM 973 CA ASN A 66 -13.713 -5.574 2.757 1.00 0.00 C ATOM 974 C ASN A 66 -13.579 -6.418 1.517 1.00 0.00 C ATOM 975 O ASN A 66 -14.542 -6.720 0.812 1.00 0.00 O ATOM 976 CB ASN A 66 -14.848 -4.563 2.622 1.00 0.00 C ATOM 977 CG ASN A 66 -15.986 -4.834 3.586 1.00 0.00 C ATOM 978 OD1 ASN A 66 -16.412 -3.949 4.327 1.00 0.00 O ATOM 979 ND2 ASN A 66 -16.487 -6.065 3.578 1.00 0.00 N ATOM 0 H ASN A 66 -12.060 -4.417 2.190 1.00 0.00 H new ATOM 0 HA ASN A 66 -13.970 -6.200 3.612 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -14.459 -3.560 2.797 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -15.229 -4.584 1.601 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -17.256 -6.307 4.203 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -16.103 -6.768 2.947 1.00 0.00 H new ATOM 986 N ARG A 67 -12.335 -6.781 1.295 1.00 0.00 N ATOM 987 CA ARG A 67 -11.915 -7.601 0.170 1.00 0.00 C ATOM 988 C ARG A 67 -13.097 -8.075 -0.650 1.00 0.00 C ATOM 989 O ARG A 67 -13.801 -9.016 -0.282 1.00 0.00 O ATOM 990 CB ARG A 67 -11.127 -8.789 0.684 1.00 0.00 C ATOM 991 CG ARG A 67 -11.717 -9.333 1.958 1.00 0.00 C ATOM 992 CD ARG A 67 -11.347 -10.790 2.184 1.00 0.00 C ATOM 993 NE ARG A 67 -12.013 -11.350 3.359 1.00 0.00 N ATOM 994 CZ ARG A 67 -13.332 -11.486 3.470 1.00 0.00 C ATOM 995 NH1 ARG A 67 -14.130 -11.110 2.479 1.00 0.00 N ATOM 996 NH2 ARG A 67 -13.855 -12.005 4.574 1.00 0.00 N ATOM 0 H ARG A 67 -11.564 -6.509 1.905 1.00 0.00 H new ATOM 0 HA ARG A 67 -11.288 -6.993 -0.482 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -11.111 -9.572 -0.074 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -10.093 -8.493 0.858 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -11.370 -8.736 2.801 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -12.802 -9.236 1.925 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -11.616 -11.373 1.303 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -10.267 -10.875 2.305 1.00 0.00 H new ATOM 0 HE ARG A 67 -11.432 -11.655 4.140 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -13.733 -10.714 1.627 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -15.140 -11.217 2.569 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -13.246 -12.300 5.337 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -14.866 -12.109 4.659 1.00 0.00 H new ATOM 1010 N VAL A 68 -13.294 -7.409 -1.764 1.00 0.00 N ATOM 1011 CA VAL A 68 -14.377 -7.730 -2.676 1.00 0.00 C ATOM 1012 C VAL A 68 -13.847 -8.473 -3.889 1.00 0.00 C ATOM 1013 O VAL A 68 -14.179 -8.138 -5.020 1.00 0.00 O ATOM 1014 CB VAL A 68 -15.106 -6.459 -3.158 1.00 0.00 C ATOM 1015 CG1 VAL A 68 -15.549 -5.591 -1.987 1.00 0.00 C ATOM 1016 CG2 VAL A 68 -14.211 -5.665 -4.097 1.00 0.00 C ATOM 0 H VAL A 68 -12.711 -6.629 -2.067 1.00 0.00 H new ATOM 0 HA VAL A 68 -15.081 -8.358 -2.130 1.00 0.00 H new ATOM 0 HB VAL A 68 -16.001 -6.770 -3.697 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -16.059 -4.704 -2.364 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -16.229 -6.158 -1.351 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -14.677 -5.289 -1.407 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -14.737 -4.770 -4.431 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -13.299 -5.377 -3.574 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -13.955 -6.278 -4.961 1.00 0.00 H new ATOM 1026 N THR A 69 -13.011 -9.474 -3.645 1.00 0.00 N ATOM 1027 CA THR A 69 -12.422 -10.255 -4.726 1.00 0.00 C ATOM 1028 C THR A 69 -13.335 -10.263 -5.939 1.00 0.00 C ATOM 1029 O THR A 69 -14.472 -10.731 -5.877 1.00 0.00 O ATOM 1030 CB THR A 69 -12.143 -11.692 -4.297 1.00 0.00 C ATOM 1031 OG1 THR A 69 -11.164 -11.735 -3.273 1.00 0.00 O ATOM 1032 CG2 THR A 69 -11.654 -12.549 -5.446 1.00 0.00 C ATOM 0 H THR A 69 -12.726 -9.764 -2.710 1.00 0.00 H new ATOM 0 HA THR A 69 -11.475 -9.781 -4.984 1.00 0.00 H new ATOM 0 HB THR A 69 -13.092 -12.087 -3.934 1.00 0.00 H new ATOM 0 HG1 THR A 69 -11.003 -12.666 -3.013 1.00 0.00 H new ATOM 0 HG21 THR A 69 -11.469 -13.563 -5.091 1.00 0.00 H new ATOM 0 HG22 THR A 69 -12.410 -12.572 -6.231 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.730 -12.130 -5.845 1.00 0.00 H new ATOM 1040 N VAL A 70 -12.828 -9.735 -7.037 1.00 0.00 N ATOM 1041 CA VAL A 70 -13.593 -9.669 -8.274 1.00 0.00 C ATOM 1042 C VAL A 70 -12.785 -10.146 -9.462 1.00 0.00 C ATOM 1043 O VAL A 70 -11.699 -10.707 -9.320 1.00 0.00 O ATOM 1044 CB VAL A 70 -14.067 -8.240 -8.581 1.00 0.00 C ATOM 1045 CG1 VAL A 70 -15.467 -8.254 -9.175 1.00 0.00 C ATOM 1046 CG2 VAL A 70 -14.023 -7.377 -7.334 1.00 0.00 C ATOM 0 H VAL A 70 -11.888 -9.344 -7.100 1.00 0.00 H new ATOM 0 HA VAL A 70 -14.453 -10.321 -8.120 1.00 0.00 H new ATOM 0 HB VAL A 70 -13.388 -7.809 -9.316 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -15.783 -7.232 -9.385 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -15.464 -8.830 -10.100 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -16.158 -8.710 -8.466 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -14.363 -6.370 -7.576 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -14.673 -7.806 -6.572 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -13.001 -7.334 -6.957 1.00 0.00 H new ATOM 1056 N MET A 71 -13.338 -9.900 -10.636 1.00 0.00 N ATOM 1057 CA MET A 71 -12.701 -10.275 -11.882 1.00 0.00 C ATOM 1058 C MET A 71 -12.128 -11.679 -11.808 1.00 0.00 C ATOM 1059 O MET A 71 -12.799 -12.621 -11.383 1.00 0.00 O ATOM 1060 CB MET A 71 -11.595 -9.286 -12.230 1.00 0.00 C ATOM 1061 CG MET A 71 -11.981 -7.848 -11.988 1.00 0.00 C ATOM 1062 SD MET A 71 -13.493 -7.379 -12.852 1.00 0.00 S ATOM 1063 CE MET A 71 -13.998 -5.946 -11.904 1.00 0.00 C ATOM 0 H MET A 71 -14.239 -9.436 -10.751 1.00 0.00 H new ATOM 0 HA MET A 71 -13.462 -10.256 -12.662 1.00 0.00 H new ATOM 0 HB2 MET A 71 -10.709 -9.521 -11.641 1.00 0.00 H new ATOM 0 HB3 MET A 71 -11.323 -9.410 -13.278 1.00 0.00 H new ATOM 0 HG2 MET A 71 -12.114 -7.687 -10.918 1.00 0.00 H new ATOM 0 HG3 MET A 71 -11.167 -7.198 -12.310 1.00 0.00 H new ATOM 0 HE1 MET A 71 -14.778 -5.409 -12.444 1.00 0.00 H new ATOM 0 HE2 MET A 71 -14.382 -6.267 -10.936 1.00 0.00 H new ATOM 0 HE3 MET A 71 -13.142 -5.288 -11.755 1.00 0.00 H new ATOM 1073 N GLY A 72 -10.880 -11.808 -12.232 1.00 0.00 N ATOM 1074 CA GLY A 72 -10.221 -13.090 -12.219 1.00 0.00 C ATOM 1075 C GLY A 72 -9.672 -13.463 -10.854 1.00 0.00 C ATOM 1076 O GLY A 72 -8.651 -14.143 -10.757 1.00 0.00 O ATOM 0 H GLY A 72 -10.311 -11.039 -12.587 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -10.925 -13.857 -12.543 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.405 -13.080 -12.942 1.00 0.00 H new ATOM 1080 N GLY A 73 -10.347 -13.017 -9.798 1.00 0.00 N ATOM 1081 CA GLY A 73 -9.898 -13.320 -8.453 1.00 0.00 C ATOM 1082 C GLY A 73 -9.105 -12.182 -7.849 1.00 0.00 C ATOM 1083 O GLY A 73 -8.266 -12.395 -6.973 1.00 0.00 O ATOM 0 H GLY A 73 -11.195 -12.452 -9.851 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -10.761 -13.535 -7.823 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -9.284 -14.220 -8.470 1.00 0.00 H new ATOM 1087 N PHE A 74 -9.375 -10.969 -8.318 1.00 0.00 N ATOM 1088 CA PHE A 74 -8.686 -9.790 -7.819 1.00 0.00 C ATOM 1089 C PHE A 74 -8.932 -9.627 -6.324 1.00 0.00 C ATOM 1090 O PHE A 74 -9.684 -10.394 -5.726 1.00 0.00 O ATOM 1091 CB PHE A 74 -9.150 -8.541 -8.572 1.00 0.00 C ATOM 1092 CG PHE A 74 -8.691 -8.489 -10.004 1.00 0.00 C ATOM 1093 CD1 PHE A 74 -7.606 -9.240 -10.430 1.00 0.00 C ATOM 1094 CD2 PHE A 74 -9.346 -7.685 -10.924 1.00 0.00 C ATOM 1095 CE1 PHE A 74 -7.183 -9.188 -11.746 1.00 0.00 C ATOM 1096 CE2 PHE A 74 -8.927 -7.630 -12.241 1.00 0.00 C ATOM 1097 CZ PHE A 74 -7.845 -8.383 -12.651 1.00 0.00 C ATOM 0 H PHE A 74 -10.067 -10.779 -9.043 1.00 0.00 H new ATOM 0 HA PHE A 74 -7.616 -9.918 -7.985 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -10.239 -8.497 -8.548 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.784 -7.657 -8.051 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.085 -9.873 -9.726 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -10.194 -7.095 -10.609 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -6.336 -9.777 -12.065 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.446 -6.999 -12.948 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.517 -8.342 -13.679 1.00 0.00 H new ATOM 1107 N LYS A 75 -8.290 -8.635 -5.721 1.00 0.00 N ATOM 1108 CA LYS A 75 -8.446 -8.394 -4.292 1.00 0.00 C ATOM 1109 C LYS A 75 -8.157 -6.938 -3.945 1.00 0.00 C ATOM 1110 O LYS A 75 -7.020 -6.476 -4.037 1.00 0.00 O ATOM 1111 CB LYS A 75 -7.523 -9.317 -3.494 1.00 0.00 C ATOM 1112 CG LYS A 75 -7.236 -10.638 -4.190 1.00 0.00 C ATOM 1113 CD LYS A 75 -8.304 -11.674 -3.886 1.00 0.00 C ATOM 1114 CE LYS A 75 -7.812 -12.705 -2.883 1.00 0.00 C ATOM 1115 NZ LYS A 75 -7.790 -12.166 -1.496 1.00 0.00 N ATOM 0 H LYS A 75 -7.660 -7.988 -6.195 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.481 -8.608 -4.026 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -6.581 -8.802 -3.307 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.975 -9.518 -2.523 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.180 -10.478 -5.267 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -6.263 -11.013 -3.872 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.192 -11.178 -3.494 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.600 -12.174 -4.808 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -8.456 -13.584 -2.921 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.810 -13.032 -3.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -7.449 -12.900 -0.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.156 -11.343 -1.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.750 -11.877 -1.220 1.00 0.00 H new ATOM 1129 N VAL A 76 -9.200 -6.226 -3.543 1.00 0.00 N ATOM 1130 CA VAL A 76 -9.089 -4.819 -3.170 1.00 0.00 C ATOM 1131 C VAL A 76 -9.263 -4.670 -1.699 1.00 0.00 C ATOM 1132 O VAL A 76 -9.519 -3.575 -1.197 1.00 0.00 O ATOM 1133 CB VAL A 76 -10.196 -3.995 -3.852 1.00 0.00 C ATOM 1134 CG1 VAL A 76 -9.975 -3.986 -5.358 1.00 0.00 C ATOM 1135 CG2 VAL A 76 -11.527 -4.648 -3.498 1.00 0.00 C ATOM 0 H VAL A 76 -10.144 -6.603 -3.466 1.00 0.00 H new ATOM 0 HA VAL A 76 -8.106 -4.465 -3.482 1.00 0.00 H new ATOM 0 HB VAL A 76 -10.186 -2.959 -3.512 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -10.760 -3.402 -5.838 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -9.005 -3.542 -5.581 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -10.001 -5.008 -5.736 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -12.340 -4.092 -3.964 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -11.536 -5.676 -3.861 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -11.658 -4.644 -2.416 1.00 0.00 H new ATOM 1145 N GLU A 77 -9.167 -5.788 -1.021 1.00 0.00 N ATOM 1146 CA GLU A 77 -9.377 -5.805 0.417 1.00 0.00 C ATOM 1147 C GLU A 77 -10.344 -4.680 0.708 1.00 0.00 C ATOM 1148 O GLU A 77 -10.198 -3.928 1.668 1.00 0.00 O ATOM 1149 CB GLU A 77 -8.054 -5.602 1.160 1.00 0.00 C ATOM 1150 CG GLU A 77 -6.858 -5.446 0.238 1.00 0.00 C ATOM 1151 CD GLU A 77 -6.399 -6.766 -0.352 1.00 0.00 C ATOM 1152 OE1 GLU A 77 -7.013 -7.805 -0.031 1.00 0.00 O ATOM 1153 OE2 GLU A 77 -5.427 -6.759 -1.135 1.00 0.00 O ATOM 0 H GLU A 77 -8.947 -6.695 -1.433 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.775 -6.763 0.753 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.133 -4.717 1.792 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.884 -6.452 1.821 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.114 -4.761 -0.570 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.035 -4.994 0.791 1.00 0.00 H new ATOM 1160 N ASN A 78 -11.297 -4.553 -0.218 1.00 0.00 N ATOM 1161 CA ASN A 78 -12.281 -3.491 -0.208 1.00 0.00 C ATOM 1162 C ASN A 78 -12.015 -2.593 0.978 1.00 0.00 C ATOM 1163 O ASN A 78 -12.752 -2.572 1.964 1.00 0.00 O ATOM 1164 CB ASN A 78 -13.699 -4.023 -0.208 1.00 0.00 C ATOM 1165 CG ASN A 78 -14.655 -2.907 -0.526 1.00 0.00 C ATOM 1166 OD1 ASN A 78 -15.198 -2.810 -1.619 1.00 0.00 O ATOM 1167 ND2 ASN A 78 -14.847 -2.057 0.448 1.00 0.00 N ATOM 0 H ASN A 78 -11.400 -5.198 -1.002 1.00 0.00 H new ATOM 0 HA ASN A 78 -12.186 -2.912 -1.126 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -13.799 -4.822 -0.943 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -13.937 -4.453 0.765 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -14.368 -2.186 1.339 1.00 0.00 H new ATOM 1172 N HIS A 79 -10.889 -1.911 0.875 1.00 0.00 N ATOM 1173 CA HIS A 79 -10.385 -1.048 1.922 1.00 0.00 C ATOM 1174 C HIS A 79 -11.427 -0.180 2.578 1.00 0.00 C ATOM 1175 O HIS A 79 -12.043 0.687 1.970 1.00 0.00 O ATOM 1176 CB HIS A 79 -9.236 -0.200 1.396 1.00 0.00 C ATOM 1177 CG HIS A 79 -8.108 -1.056 0.971 1.00 0.00 C ATOM 1178 ND1 HIS A 79 -6.901 -0.601 0.506 1.00 0.00 N ATOM 1179 CD2 HIS A 79 -8.042 -2.399 0.959 1.00 0.00 C ATOM 1180 CE1 HIS A 79 -6.148 -1.673 0.224 1.00 0.00 C ATOM 1181 NE2 HIS A 79 -6.796 -2.793 0.483 1.00 0.00 N ATOM 0 H HIS A 79 -10.292 -1.943 0.049 1.00 0.00 H new ATOM 0 HA HIS A 79 -10.031 -1.715 2.708 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -9.578 0.404 0.555 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -8.903 0.491 2.170 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -6.626 0.375 0.395 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -8.832 -3.066 1.270 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -5.141 -1.626 -0.165 1.00 0.00 H new ATOM 1189 N THR A 80 -11.564 -0.406 3.856 1.00 0.00 N ATOM 1190 CA THR A 80 -12.474 0.371 4.672 1.00 0.00 C ATOM 1191 C THR A 80 -11.661 1.346 5.507 1.00 0.00 C ATOM 1192 O THR A 80 -12.181 2.325 6.042 1.00 0.00 O ATOM 1193 CB THR A 80 -13.315 -0.541 5.549 1.00 0.00 C ATOM 1194 OG1 THR A 80 -12.739 -0.679 6.834 1.00 0.00 O ATOM 1195 CG2 THR A 80 -13.469 -1.916 4.951 1.00 0.00 C ATOM 0 H THR A 80 -11.054 -1.128 4.365 1.00 0.00 H new ATOM 0 HA THR A 80 -13.162 0.929 4.037 1.00 0.00 H new ATOM 0 HB THR A 80 -14.296 -0.073 5.624 1.00 0.00 H new ATOM 0 HG1 THR A 80 -11.792 -0.916 6.744 1.00 0.00 H new ATOM 0 HG21 THR A 80 -14.077 -2.534 5.611 1.00 0.00 H new ATOM 0 HG22 THR A 80 -13.955 -1.837 3.978 1.00 0.00 H new ATOM 0 HG23 THR A 80 -12.487 -2.372 4.830 1.00 0.00 H new ATOM 1203 N ALA A 81 -10.361 1.065 5.583 1.00 0.00 N ATOM 1204 CA ALA A 81 -9.421 1.898 6.314 1.00 0.00 C ATOM 1205 C ALA A 81 -8.002 1.522 5.913 1.00 0.00 C ATOM 1206 O ALA A 81 -7.720 0.353 5.660 1.00 0.00 O ATOM 1207 CB ALA A 81 -9.620 1.743 7.813 1.00 0.00 C ATOM 0 H ALA A 81 -9.935 0.252 5.138 1.00 0.00 H new ATOM 0 HA ALA A 81 -9.597 2.945 6.065 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -8.907 2.375 8.342 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -10.635 2.041 8.078 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.462 0.702 8.095 1.00 0.00 H new ATOM 1213 N CYS A 82 -7.112 2.505 5.832 1.00 0.00 N ATOM 1214 CA CYS A 82 -5.733 2.233 5.441 1.00 0.00 C ATOM 1215 C CYS A 82 -4.759 2.580 6.561 1.00 0.00 C ATOM 1216 O CYS A 82 -4.903 3.600 7.235 1.00 0.00 O ATOM 1217 CB CYS A 82 -5.370 2.998 4.164 1.00 0.00 C ATOM 1218 SG CYS A 82 -5.780 2.102 2.627 1.00 0.00 S ATOM 0 H CYS A 82 -7.316 3.485 6.029 1.00 0.00 H new ATOM 0 HA CYS A 82 -5.652 1.164 5.243 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -5.890 3.956 4.165 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -4.302 3.215 4.173 1.00 0.00 H new ATOM 1223 N HIS A 83 -3.769 1.715 6.751 1.00 0.00 N ATOM 1224 CA HIS A 83 -2.762 1.909 7.786 1.00 0.00 C ATOM 1225 C HIS A 83 -1.403 1.401 7.322 1.00 0.00 C ATOM 1226 O HIS A 83 -1.203 0.198 7.153 1.00 0.00 O ATOM 1227 CB HIS A 83 -3.168 1.185 9.070 1.00 0.00 C ATOM 1228 CG HIS A 83 -3.291 -0.300 8.908 1.00 0.00 C ATOM 1229 ND1 HIS A 83 -3.162 -1.184 9.960 1.00 0.00 N ATOM 1230 CD2 HIS A 83 -3.536 -1.058 7.812 1.00 0.00 C ATOM 1231 CE1 HIS A 83 -3.321 -2.419 9.517 1.00 0.00 C ATOM 1232 NE2 HIS A 83 -3.550 -2.370 8.219 1.00 0.00 N ATOM 0 H HIS A 83 -3.643 0.868 6.198 1.00 0.00 H new ATOM 0 HA HIS A 83 -2.689 2.978 7.985 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -2.432 1.398 9.845 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -4.121 1.584 9.417 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -2.973 -0.925 10.928 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -3.691 -0.698 6.806 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -3.272 -3.316 10.116 1.00 0.00 H new ATOM 1241 N CYS A 84 -0.471 2.324 7.122 1.00 0.00 N ATOM 1242 CA CYS A 84 0.873 1.969 6.684 1.00 0.00 C ATOM 1243 C CYS A 84 1.669 1.360 7.833 1.00 0.00 C ATOM 1244 O CYS A 84 1.410 1.651 9.001 1.00 0.00 O ATOM 1245 CB CYS A 84 1.597 3.201 6.139 1.00 0.00 C ATOM 1246 SG CYS A 84 1.340 4.711 7.127 1.00 0.00 S ATOM 0 H CYS A 84 -0.621 3.324 7.256 1.00 0.00 H new ATOM 0 HA CYS A 84 0.789 1.228 5.889 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.665 2.989 6.089 1.00 0.00 H new ATOM 0 HB3 CYS A 84 1.261 3.385 5.119 1.00 0.00 H new ATOM 1251 N SER A 85 2.636 0.515 7.497 1.00 0.00 N ATOM 1252 CA SER A 85 3.468 -0.132 8.505 1.00 0.00 C ATOM 1253 C SER A 85 2.712 -1.267 9.189 1.00 0.00 C ATOM 1254 O SER A 85 1.488 -1.357 9.096 1.00 0.00 O ATOM 1255 CB SER A 85 3.929 0.889 9.546 1.00 0.00 C ATOM 1256 OG SER A 85 4.365 2.087 8.927 1.00 0.00 O ATOM 0 H SER A 85 2.864 0.262 6.536 1.00 0.00 H new ATOM 0 HA SER A 85 4.341 -0.551 8.005 1.00 0.00 H new ATOM 0 HB2 SER A 85 3.111 1.108 10.233 1.00 0.00 H new ATOM 0 HB3 SER A 85 4.740 0.467 10.140 1.00 0.00 H new ATOM 0 HG SER A 85 4.653 2.724 9.614 1.00 0.00 H new ATOM 1262 N THR A 86 3.452 -2.130 9.875 1.00 0.00 N ATOM 1263 CA THR A 86 2.856 -3.261 10.576 1.00 0.00 C ATOM 1264 C THR A 86 1.995 -4.095 9.632 1.00 0.00 C ATOM 1265 O THR A 86 0.798 -4.274 9.861 1.00 0.00 O ATOM 1266 CB THR A 86 2.016 -2.773 11.758 1.00 0.00 C ATOM 1267 OG1 THR A 86 2.416 -1.474 12.158 1.00 0.00 O ATOM 1268 CG2 THR A 86 2.112 -3.676 12.970 1.00 0.00 C ATOM 0 H THR A 86 4.466 -2.068 9.961 1.00 0.00 H new ATOM 0 HA THR A 86 3.664 -3.889 10.951 1.00 0.00 H new ATOM 0 HB THR A 86 0.986 -2.775 11.401 1.00 0.00 H new ATOM 0 HG1 THR A 86 1.865 -1.180 12.914 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.494 -3.274 13.773 1.00 0.00 H new ATOM 0 HG22 THR A 86 1.763 -4.675 12.708 1.00 0.00 H new ATOM 0 HG23 THR A 86 3.149 -3.730 13.303 1.00 0.00 H new ATOM 1276 N CYS A 87 2.613 -4.606 8.574 1.00 0.00 N ATOM 1277 CA CYS A 87 1.904 -5.428 7.597 1.00 0.00 C ATOM 1278 C CYS A 87 1.926 -6.897 8.012 1.00 0.00 C ATOM 1279 O CYS A 87 2.519 -7.736 7.334 1.00 0.00 O ATOM 1280 CB CYS A 87 2.521 -5.264 6.202 1.00 0.00 C ATOM 1281 SG CYS A 87 4.283 -4.791 6.201 1.00 0.00 S ATOM 0 H CYS A 87 3.603 -4.467 8.369 1.00 0.00 H new ATOM 0 HA CYS A 87 0.868 -5.092 7.561 1.00 0.00 H new ATOM 0 HB2 CYS A 87 2.410 -6.202 5.658 1.00 0.00 H new ATOM 0 HB3 CYS A 87 1.956 -4.509 5.656 1.00 0.00 H new ATOM 1286 N TYR A 88 1.279 -7.198 9.135 1.00 0.00 N ATOM 1287 CA TYR A 88 1.227 -8.564 9.650 1.00 0.00 C ATOM 1288 C TYR A 88 0.063 -8.735 10.624 1.00 0.00 C ATOM 1289 O TYR A 88 -0.656 -7.780 10.922 1.00 0.00 O ATOM 1290 CB TYR A 88 2.547 -8.909 10.346 1.00 0.00 C ATOM 1291 CG TYR A 88 3.022 -10.330 10.122 1.00 0.00 C ATOM 1292 CD1 TYR A 88 2.634 -11.055 9.001 1.00 0.00 C ATOM 1293 CD2 TYR A 88 3.869 -10.944 11.038 1.00 0.00 C ATOM 1294 CE1 TYR A 88 3.075 -12.350 8.801 1.00 0.00 C ATOM 1295 CE2 TYR A 88 4.314 -12.238 10.844 1.00 0.00 C ATOM 1296 CZ TYR A 88 3.915 -12.937 9.725 1.00 0.00 C ATOM 1297 OH TYR A 88 4.355 -14.226 9.529 1.00 0.00 O ATOM 0 H TYR A 88 0.783 -6.514 9.706 1.00 0.00 H new ATOM 0 HA TYR A 88 1.073 -9.242 8.811 1.00 0.00 H new ATOM 0 HB2 TYR A 88 3.318 -8.222 9.996 1.00 0.00 H new ATOM 0 HB3 TYR A 88 2.433 -8.742 11.417 1.00 0.00 H new ATOM 0 HD1 TYR A 88 1.977 -10.599 8.275 1.00 0.00 H new ATOM 0 HD2 TYR A 88 4.185 -10.400 11.916 1.00 0.00 H new ATOM 0 HE1 TYR A 88 2.763 -12.900 7.925 1.00 0.00 H new ATOM 0 HE2 TYR A 88 4.971 -12.699 11.566 1.00 0.00 H new ATOM 0 HH TYR A 88 4.939 -14.489 10.271 1.00 0.00 H new ATOM 1307 N TYR A 89 -0.118 -9.957 11.115 1.00 0.00 N ATOM 1308 CA TYR A 89 -1.197 -10.253 12.054 1.00 0.00 C ATOM 1309 C TYR A 89 -0.683 -10.269 13.492 1.00 0.00 C ATOM 1310 O TYR A 89 -1.450 -10.469 14.433 1.00 0.00 O ATOM 1311 CB TYR A 89 -1.838 -11.602 11.714 1.00 0.00 C ATOM 1312 CG TYR A 89 -2.800 -12.108 12.768 1.00 0.00 C ATOM 1313 CD1 TYR A 89 -2.334 -12.753 13.908 1.00 0.00 C ATOM 1314 CD2 TYR A 89 -4.173 -11.946 12.622 1.00 0.00 C ATOM 1315 CE1 TYR A 89 -3.208 -13.220 14.872 1.00 0.00 C ATOM 1316 CE2 TYR A 89 -5.053 -12.411 13.582 1.00 0.00 C ATOM 1317 CZ TYR A 89 -4.565 -13.047 14.704 1.00 0.00 C ATOM 1318 OH TYR A 89 -5.438 -13.513 15.661 1.00 0.00 O ATOM 0 H TYR A 89 0.467 -10.758 10.879 1.00 0.00 H new ATOM 0 HA TYR A 89 -1.947 -9.467 11.966 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -2.368 -11.512 10.766 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -1.050 -12.341 11.570 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -1.271 -12.892 14.043 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -4.559 -11.449 11.744 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -2.829 -13.718 15.752 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -6.117 -12.277 13.454 1.00 0.00 H new ATOM 0 HH TYR A 89 -6.358 -13.310 15.391 1.00 0.00 H new ATOM 1328 N HIS A 90 0.619 -10.059 13.654 1.00 0.00 N ATOM 1329 CA HIS A 90 1.233 -10.053 14.978 1.00 0.00 C ATOM 1330 C HIS A 90 0.832 -8.814 15.775 1.00 0.00 C ATOM 1331 O HIS A 90 1.252 -8.644 16.919 1.00 0.00 O ATOM 1332 CB HIS A 90 2.757 -10.121 14.856 1.00 0.00 C ATOM 1333 CG HIS A 90 3.375 -11.213 15.674 1.00 0.00 C ATOM 1334 ND1 HIS A 90 2.841 -11.656 16.866 1.00 0.00 N ATOM 1335 CD2 HIS A 90 4.492 -11.952 15.467 1.00 0.00 C ATOM 1336 CE1 HIS A 90 3.602 -12.619 17.356 1.00 0.00 C ATOM 1337 NE2 HIS A 90 4.609 -12.818 16.526 1.00 0.00 N ATOM 0 H HIS A 90 1.269 -9.891 12.886 1.00 0.00 H new ATOM 0 HA HIS A 90 0.873 -10.932 15.513 1.00 0.00 H new ATOM 0 HB2 HIS A 90 3.023 -10.267 13.809 1.00 0.00 H new ATOM 0 HB3 HIS A 90 3.181 -9.165 15.162 1.00 0.00 H new ATOM 0 HD1 HIS A 90 1.991 -11.297 17.301 1.00 0.00 H new ATOM 0 HD2 HIS A 90 5.165 -11.874 14.626 1.00 0.00 H new ATOM 0 HE1 HIS A 90 3.429 -13.153 18.279 1.00 0.00 H new ATOM 1346 N LYS A 91 0.018 -7.954 15.168 1.00 0.00 N ATOM 1347 CA LYS A 91 -0.437 -6.735 15.830 1.00 0.00 C ATOM 1348 C LYS A 91 0.578 -5.608 15.660 1.00 0.00 C ATOM 1349 O LYS A 91 0.298 -4.602 15.007 1.00 0.00 O ATOM 1350 CB LYS A 91 -0.681 -6.998 17.317 1.00 0.00 C ATOM 1351 CG LYS A 91 -1.435 -5.881 18.019 1.00 0.00 C ATOM 1352 CD LYS A 91 -0.883 -5.633 19.414 1.00 0.00 C ATOM 1353 CE LYS A 91 -1.886 -6.015 20.492 1.00 0.00 C ATOM 1354 NZ LYS A 91 -3.291 -5.807 20.045 1.00 0.00 N ATOM 0 H LYS A 91 -0.339 -8.078 14.221 1.00 0.00 H new ATOM 0 HA LYS A 91 -1.373 -6.427 15.364 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -1.241 -7.927 17.426 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.278 -7.145 17.813 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -1.365 -4.966 17.430 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.492 -6.138 18.084 1.00 0.00 H new ATOM 0 HD2 LYS A 91 0.034 -6.207 19.550 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -0.619 -4.581 19.519 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -1.744 -7.060 20.766 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.699 -5.423 21.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -3.901 -5.662 20.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.339 -4.970 19.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.615 -6.643 19.519 1.00 0.00 H new ATOM 1368 N SER A 92 1.755 -5.782 16.250 1.00 0.00 N ATOM 1369 CA SER A 92 2.810 -4.777 16.162 1.00 0.00 C ATOM 1370 C SER A 92 4.116 -5.401 15.682 1.00 0.00 C ATOM 1371 O SER A 92 4.313 -6.612 15.916 1.00 0.00 O ATOM 1372 CB SER A 92 3.018 -4.105 17.522 1.00 0.00 C ATOM 1373 OG SER A 92 3.484 -2.774 17.368 1.00 0.00 O ATOM 1374 OXT SER A 92 4.931 -4.675 15.075 1.00 0.00 O ATOM 0 H SER A 92 2.003 -6.608 16.794 1.00 0.00 H new ATOM 0 HA SER A 92 2.502 -4.024 15.437 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.080 -4.103 18.077 1.00 0.00 H new ATOM 0 HB3 SER A 92 3.735 -4.679 18.109 1.00 0.00 H new ATOM 0 HG SER A 92 3.607 -2.366 18.251 1.00 0.00 H new TER 1380 SER A 92 HETATM 1381 C1 NAG A1052 21.432 -9.895 -7.603 1.00 0.00 C HETATM 1382 C2 NAG A1052 21.716 -8.852 -8.673 1.00 0.00 C HETATM 1383 C3 NAG A1052 22.014 -9.525 -10.000 1.00 0.00 C HETATM 1384 C4 NAG A1052 23.118 -10.549 -9.833 1.00 0.00 C HETATM 1385 C5 NAG A1052 22.790 -11.515 -8.702 1.00 0.00 C HETATM 1386 C6 NAG A1052 23.930 -12.473 -8.418 1.00 0.00 C HETATM 1387 C7 NAG A1052 19.383 -8.492 -9.164 1.00 0.00 C HETATM 1388 C8 NAG A1052 18.220 -7.522 -9.288 1.00 0.00 C HETATM 1389 N2 NAG A1052 20.562 -7.987 -8.818 1.00 0.00 N HETATM 1390 O3 NAG A1052 22.425 -8.543 -10.940 1.00 0.00 O HETATM 1391 O4 NAG A1052 23.258 -11.278 -11.043 1.00 0.00 O HETATM 1392 O5 NAG A1052 22.529 -10.807 -7.474 1.00 0.00 O HETATM 1393 O6 NAG A1052 25.104 -11.775 -8.032 1.00 0.00 O HETATM 1394 O7 NAG A1052 19.208 -9.691 -9.380 1.00 0.00 O HETATM 0 HO6 NAG A1052 24.855 -10.941 -7.582 1.00 0.00 H new HETATM 0 HO4 NAG A1052 24.142 -11.701 -11.070 1.00 0.00 H new HETATM 0 HO3 NAG A1052 22.813 -7.778 -10.466 1.00 0.00 H new HETATM 0 HN2 NAG A1052 20.656 -6.985 -8.653 1.00 0.00 H new HETATM 0 H83 NAG A1052 18.054 -7.028 -8.330 1.00 0.00 H new HETATM 0 H82 NAG A1052 18.449 -6.774 -10.047 1.00 0.00 H new HETATM 0 H81 NAG A1052 17.321 -8.067 -9.576 1.00 0.00 H new HETATM 0 H62 NAG A1052 23.639 -13.165 -7.627 1.00 0.00 H new HETATM 0 H61 NAG A1052 24.135 -13.072 -9.306 1.00 0.00 H new HETATM 0 H5 NAG A1052 21.911 -12.067 -9.034 1.00 0.00 H new HETATM 0 H4 NAG A1052 24.046 -10.031 -9.591 1.00 0.00 H new HETATM 0 H3 NAG A1052 21.114 -10.028 -10.354 1.00 0.00 H new HETATM 0 H2 NAG A1052 22.584 -8.264 -8.374 1.00 0.00 H new HETATM 1404 C1 NAG A1078 -15.671 -0.904 0.269 1.00 0.00 C HETATM 1405 C2 NAG A1078 -17.105 -1.364 0.258 1.00 0.00 C HETATM 1406 C3 NAG A1078 -18.056 -0.189 0.239 1.00 0.00 C HETATM 1407 C4 NAG A1078 -17.713 0.799 1.332 1.00 0.00 C HETATM 1408 C5 NAG A1078 -16.248 1.185 1.263 1.00 0.00 C HETATM 1409 C6 NAG A1078 -15.837 2.092 2.407 1.00 0.00 C HETATM 1410 C7 NAG A1078 -18.459 -2.866 -1.042 1.00 0.00 C HETATM 1411 C8 NAG A1078 -18.621 -3.682 -2.311 1.00 0.00 C HETATM 1412 N2 NAG A1078 -17.342 -2.162 -0.917 1.00 0.00 N HETATM 1413 O3 NAG A1078 -19.384 -0.653 0.438 1.00 0.00 O HETATM 1414 O4 NAG A1078 -18.511 1.963 1.174 1.00 0.00 O HETATM 1415 O5 NAG A1078 -15.417 0.025 1.334 1.00 0.00 O HETATM 1416 O6 NAG A1078 -16.515 3.339 2.341 1.00 0.00 O HETATM 1417 O7 NAG A1078 -19.343 -2.879 -0.185 1.00 0.00 O HETATM 0 HO6 NAG A1078 -16.234 3.904 3.090 1.00 0.00 H new HETATM 0 HO4 NAG A1078 -18.033 2.739 1.535 1.00 0.00 H new HETATM 0 HO3 NAG A1078 -19.371 -1.617 0.615 1.00 0.00 H new HETATM 0 HN2 NAG A1078 -16.644 -2.186 -1.660 1.00 0.00 H new HETATM 0 H83 NAG A1078 -18.595 -3.019 -3.176 1.00 0.00 H new HETATM 0 H82 NAG A1078 -17.809 -4.406 -2.384 1.00 0.00 H new HETATM 0 H81 NAG A1078 -19.575 -4.208 -2.286 1.00 0.00 H new HETATM 0 H62 NAG A1078 -16.056 1.605 3.357 1.00 0.00 H new HETATM 0 H61 NAG A1078 -14.760 2.258 2.375 1.00 0.00 H new HETATM 0 H5 NAG A1078 -16.121 1.708 0.315 1.00 0.00 H new HETATM 0 H4 NAG A1078 -17.908 0.336 2.299 1.00 0.00 H new HETATM 0 H3 NAG A1078 -17.969 0.308 -0.727 1.00 0.00 H new HETATM 0 H2 NAG A1078 -17.280 -1.946 1.163 1.00 0.00 H new