USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 577 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 1 ALA N :NH3+ 173:sc= 0.033 (180deg=-0.0176) USER MOD Set 1.2: A 56 SER OG : rot 41:sc= 0.112 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.711 USER MOD Single : A 18 LYS NZ :NH3+ -155:sc= 0.252 (180deg=0.0694) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 137:sc= -3.63! USER MOD Single : A 45 GLN : amide:sc= -1.37 K(o=-1.4,f=-0.24) USER MOD Single : A 48 ASN : amide:sc= -0.018 X(o=-0.018,f=-0.48) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.974! C(o=-0.97!,f=-5.7!) USER MOD Single : A 58 GLN : amide:sc= -10.8! C(o=-11!,f=-10!) USER MOD Single : A 59 LYS NZ :NH3+ -175:sc= -2.82! (180deg=-2.99!) USER MOD Single : A 63 SER OG : rot -52:sc= -0.272 USER MOD Single : A 75 SER OG : rot -87:sc= 0.837 USER MOD Single : A 92 SER OG : rot 4:sc= -2.74! USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.850 2.987 -4.871 1.00 0.00 N ATOM 2 CA ALA A 1 -10.410 2.777 -6.279 1.00 0.00 C ATOM 3 C ALA A 1 -9.525 3.923 -6.763 1.00 0.00 C ATOM 4 O ALA A 1 -9.971 5.066 -6.853 1.00 0.00 O ATOM 5 CB ALA A 1 -11.614 2.624 -7.199 1.00 0.00 C ATOM 0 H1 ALA A 1 -11.542 2.256 -4.611 1.00 0.00 H new ATOM 0 H2 ALA A 1 -10.028 2.926 -4.237 1.00 0.00 H new ATOM 0 H3 ALA A 1 -11.288 3.926 -4.780 1.00 0.00 H new ATOM 0 HA ALA A 1 -9.823 1.859 -6.307 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -11.273 2.472 -8.223 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -12.207 1.766 -6.883 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -12.226 3.525 -7.151 1.00 0.00 H new ATOM 13 N VAL A 2 -8.270 3.598 -7.076 1.00 0.00 N ATOM 14 CA VAL A 2 -7.296 4.580 -7.562 1.00 0.00 C ATOM 15 C VAL A 2 -7.325 5.877 -6.756 1.00 0.00 C ATOM 16 O VAL A 2 -8.034 5.990 -5.755 1.00 0.00 O ATOM 17 CB VAL A 2 -7.511 4.907 -9.054 1.00 0.00 C ATOM 18 CG1 VAL A 2 -7.320 3.662 -9.905 1.00 0.00 C ATOM 19 CG2 VAL A 2 -8.887 5.516 -9.284 1.00 0.00 C ATOM 0 H VAL A 2 -7.900 2.651 -7.001 1.00 0.00 H new ATOM 0 HA VAL A 2 -6.319 4.115 -7.434 1.00 0.00 H new ATOM 0 HB VAL A 2 -6.765 5.643 -9.353 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -7.476 3.911 -10.955 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -6.308 3.280 -9.769 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -8.039 2.901 -9.603 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -9.014 5.738 -10.344 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.655 4.811 -8.966 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -8.979 6.436 -8.707 1.00 0.00 H new ATOM 29 N LEU A 3 -6.517 6.843 -7.185 1.00 0.00 N ATOM 30 CA LEU A 3 -6.407 8.116 -6.517 1.00 0.00 C ATOM 31 C LEU A 3 -7.559 9.044 -6.828 1.00 0.00 C ATOM 32 O LEU A 3 -8.362 8.795 -7.727 1.00 0.00 O ATOM 33 CB LEU A 3 -5.104 8.811 -6.933 1.00 0.00 C ATOM 34 CG LEU A 3 -3.942 8.666 -5.955 1.00 0.00 C ATOM 35 CD1 LEU A 3 -4.472 8.237 -4.611 1.00 0.00 C ATOM 36 CD2 LEU A 3 -2.919 7.671 -6.478 1.00 0.00 C ATOM 0 H LEU A 3 -5.923 6.755 -8.009 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.419 7.907 -5.447 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -4.794 8.415 -7.900 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -5.308 9.873 -7.074 1.00 0.00 H new ATOM 0 HG LEU A 3 -3.440 9.628 -5.849 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.644 8.132 -3.910 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.170 8.987 -4.239 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.986 7.281 -4.711 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -2.099 7.583 -5.765 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.392 6.698 -6.609 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.531 8.018 -7.436 1.00 0.00 H new ATOM 48 N ASP A 4 -7.593 10.150 -6.096 1.00 0.00 N ATOM 49 CA ASP A 4 -8.594 11.154 -6.303 1.00 0.00 C ATOM 50 C ASP A 4 -8.149 12.016 -7.472 1.00 0.00 C ATOM 51 O ASP A 4 -8.460 11.735 -8.629 1.00 0.00 O ATOM 52 CB ASP A 4 -8.819 12.007 -5.045 1.00 0.00 C ATOM 53 CG ASP A 4 -9.582 13.286 -5.333 1.00 0.00 C ATOM 54 OD1 ASP A 4 -10.568 13.229 -6.097 1.00 0.00 O ATOM 55 OD2 ASP A 4 -9.198 14.341 -4.789 1.00 0.00 O ATOM 0 H ASP A 4 -6.928 10.363 -5.352 1.00 0.00 H new ATOM 0 HA ASP A 4 -9.549 10.677 -6.522 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -9.366 11.421 -4.307 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -7.854 12.256 -4.603 1.00 0.00 H new ATOM 60 N LEU A 5 -7.373 13.039 -7.152 1.00 0.00 N ATOM 61 CA LEU A 5 -6.817 13.922 -8.129 1.00 0.00 C ATOM 62 C LEU A 5 -5.581 13.289 -8.729 1.00 0.00 C ATOM 63 O LEU A 5 -5.577 12.802 -9.859 1.00 0.00 O ATOM 64 CB LEU A 5 -6.481 15.259 -7.468 1.00 0.00 C ATOM 65 CG LEU A 5 -5.937 15.193 -6.031 1.00 0.00 C ATOM 66 CD1 LEU A 5 -4.503 15.658 -5.976 1.00 0.00 C ATOM 67 CD2 LEU A 5 -6.798 16.027 -5.092 1.00 0.00 C ATOM 0 H LEU A 5 -7.117 13.271 -6.192 1.00 0.00 H new ATOM 0 HA LEU A 5 -7.537 14.102 -8.928 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -5.746 15.772 -8.088 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -7.381 15.874 -7.465 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.973 14.153 -5.706 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.141 15.602 -4.949 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -3.889 15.020 -6.612 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -4.441 16.688 -6.327 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.396 15.967 -4.080 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -6.796 17.066 -5.422 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -7.819 15.646 -5.100 1.00 0.00 H new ATOM 79 N ASP A 6 -4.549 13.302 -7.928 1.00 0.00 N ATOM 80 CA ASP A 6 -3.272 12.747 -8.264 1.00 0.00 C ATOM 81 C ASP A 6 -2.571 12.325 -6.988 1.00 0.00 C ATOM 82 O ASP A 6 -2.242 11.158 -6.786 1.00 0.00 O ATOM 83 CB ASP A 6 -2.448 13.788 -9.006 1.00 0.00 C ATOM 84 CG ASP A 6 -1.972 13.300 -10.359 1.00 0.00 C ATOM 85 OD1 ASP A 6 -2.828 12.999 -11.216 1.00 0.00 O ATOM 86 OD2 ASP A 6 -0.742 13.217 -10.561 1.00 0.00 O ATOM 0 H ASP A 6 -4.579 13.713 -6.995 1.00 0.00 H new ATOM 0 HA ASP A 6 -3.396 11.877 -8.909 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -3.045 14.690 -9.139 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -1.585 14.063 -8.399 1.00 0.00 H new ATOM 91 N VAL A 7 -2.371 13.305 -6.132 1.00 0.00 N ATOM 92 CA VAL A 7 -1.732 13.107 -4.846 1.00 0.00 C ATOM 93 C VAL A 7 -2.734 13.175 -3.691 1.00 0.00 C ATOM 94 O VAL A 7 -2.939 14.238 -3.107 1.00 0.00 O ATOM 95 CB VAL A 7 -0.620 14.142 -4.608 1.00 0.00 C ATOM 96 CG1 VAL A 7 0.506 13.936 -5.605 1.00 0.00 C ATOM 97 CG2 VAL A 7 -1.163 15.563 -4.703 1.00 0.00 C ATOM 0 H VAL A 7 -2.649 14.270 -6.310 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.297 12.108 -4.872 1.00 0.00 H new ATOM 0 HB VAL A 7 -0.231 14.000 -3.600 1.00 0.00 H new ATOM 0 HG11 VAL A 7 1.288 14.674 -5.428 1.00 0.00 H new ATOM 0 HG12 VAL A 7 0.919 12.934 -5.486 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.121 14.052 -6.618 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.355 16.274 -4.530 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.584 15.726 -5.695 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.939 15.707 -3.951 1.00 0.00 H new ATOM 107 N ARG A 8 -3.370 12.054 -3.364 1.00 0.00 N ATOM 108 CA ARG A 8 -4.339 12.026 -2.298 1.00 0.00 C ATOM 109 C ARG A 8 -3.698 12.108 -0.920 1.00 0.00 C ATOM 110 O ARG A 8 -2.479 12.207 -0.781 1.00 0.00 O ATOM 111 CB ARG A 8 -5.140 10.745 -2.384 1.00 0.00 C ATOM 112 CG ARG A 8 -6.380 10.886 -3.215 1.00 0.00 C ATOM 113 CD ARG A 8 -7.219 9.619 -3.152 1.00 0.00 C ATOM 114 NE ARG A 8 -8.654 9.875 -3.192 1.00 0.00 N ATOM 115 CZ ARG A 8 -9.333 10.459 -2.209 1.00 0.00 C ATOM 116 NH1 ARG A 8 -8.702 10.895 -1.126 1.00 0.00 N ATOM 117 NH2 ARG A 8 -10.645 10.615 -2.315 1.00 0.00 N ATOM 0 H ARG A 8 -3.225 11.158 -3.828 1.00 0.00 H new ATOM 0 HA ARG A 8 -4.978 12.901 -2.421 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -4.514 9.959 -2.806 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -5.417 10.427 -1.379 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -6.966 11.734 -2.861 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.108 11.097 -4.249 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -6.949 8.971 -3.986 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -6.979 9.078 -2.237 1.00 0.00 H new ATOM 0 HE ARG A 8 -9.168 9.589 -4.025 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -7.691 10.783 -1.045 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -9.228 11.342 -0.375 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -11.132 10.287 -3.149 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -11.168 11.063 -1.562 1.00 0.00 H new ATOM 131 N THR A 9 -4.554 12.050 0.093 1.00 0.00 N ATOM 132 CA THR A 9 -4.141 12.101 1.473 1.00 0.00 C ATOM 133 C THR A 9 -5.293 11.664 2.372 1.00 0.00 C ATOM 134 O THR A 9 -5.552 12.266 3.414 1.00 0.00 O ATOM 135 CB THR A 9 -3.689 13.505 1.833 1.00 0.00 C ATOM 136 OG1 THR A 9 -3.587 14.321 0.678 1.00 0.00 O ATOM 137 CG2 THR A 9 -2.356 13.548 2.547 1.00 0.00 C ATOM 0 H THR A 9 -5.563 11.965 -0.031 1.00 0.00 H new ATOM 0 HA THR A 9 -3.302 11.421 1.621 1.00 0.00 H new ATOM 0 HB THR A 9 -4.456 13.880 2.511 1.00 0.00 H new ATOM 0 HG1 THR A 9 -3.296 15.220 0.937 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.097 14.583 2.773 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.422 12.980 3.475 1.00 0.00 H new ATOM 0 HG23 THR A 9 -1.587 13.113 1.909 1.00 0.00 H new ATOM 145 N CYS A 10 -5.993 10.618 1.942 1.00 0.00 N ATOM 146 CA CYS A 10 -7.140 10.097 2.683 1.00 0.00 C ATOM 147 C CYS A 10 -6.705 9.295 3.906 1.00 0.00 C ATOM 148 O CYS A 10 -6.787 9.783 5.033 1.00 0.00 O ATOM 149 CB CYS A 10 -8.020 9.233 1.776 1.00 0.00 C ATOM 150 SG CYS A 10 -9.798 9.325 2.165 1.00 0.00 S ATOM 0 H CYS A 10 -5.786 10.112 1.081 1.00 0.00 H new ATOM 0 HA CYS A 10 -7.718 10.953 3.031 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -7.868 9.539 0.741 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -7.695 8.195 1.852 1.00 0.00 H new ATOM 155 N LEU A 11 -6.255 8.059 3.690 1.00 0.00 N ATOM 156 CA LEU A 11 -5.830 7.213 4.798 1.00 0.00 C ATOM 157 C LEU A 11 -4.406 6.693 4.613 1.00 0.00 C ATOM 158 O LEU A 11 -4.181 5.620 4.027 1.00 0.00 O ATOM 159 CB LEU A 11 -6.783 6.035 4.976 1.00 0.00 C ATOM 160 CG LEU A 11 -6.616 5.289 6.298 1.00 0.00 C ATOM 161 CD1 LEU A 11 -7.510 5.894 7.367 1.00 0.00 C ATOM 162 CD2 LEU A 11 -6.910 3.809 6.119 1.00 0.00 C ATOM 0 H LEU A 11 -6.177 7.628 2.769 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.849 7.835 5.693 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.808 6.397 4.903 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.634 5.334 4.155 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.581 5.390 6.623 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.378 5.350 8.302 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.243 6.940 7.515 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.551 5.826 7.052 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.785 3.295 7.072 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.934 3.681 5.769 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.221 3.387 5.387 1.00 0.00 H new ATOM 174 N PRO A 12 -3.419 7.438 5.138 1.00 0.00 N ATOM 175 CA PRO A 12 -2.019 7.050 5.058 1.00 0.00 C ATOM 176 C PRO A 12 -1.719 5.840 5.930 1.00 0.00 C ATOM 177 O PRO A 12 -2.627 5.181 6.441 1.00 0.00 O ATOM 178 CB PRO A 12 -1.250 8.265 5.592 1.00 0.00 C ATOM 179 CG PRO A 12 -2.247 9.360 5.748 1.00 0.00 C ATOM 180 CD PRO A 12 -3.595 8.705 5.862 1.00 0.00 C ATOM 0 HA PRO A 12 -1.744 6.775 4.040 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.774 8.035 6.545 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.458 8.557 4.902 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.031 9.957 6.634 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.216 10.036 4.893 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.874 8.538 6.902 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -4.379 9.317 5.416 1.00 0.00 H new ATOM 188 N CYS A 13 -0.436 5.572 6.117 1.00 0.00 N ATOM 189 CA CYS A 13 -0.001 4.464 6.926 1.00 0.00 C ATOM 190 C CYS A 13 1.426 4.671 7.400 1.00 0.00 C ATOM 191 O CYS A 13 2.046 5.694 7.109 1.00 0.00 O ATOM 192 CB CYS A 13 -0.103 3.169 6.136 1.00 0.00 C ATOM 193 SG CYS A 13 -0.428 1.697 7.144 1.00 0.00 S ATOM 0 H CYS A 13 0.323 6.119 5.711 1.00 0.00 H new ATOM 0 HA CYS A 13 -0.649 4.402 7.800 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -0.898 3.271 5.397 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.826 3.019 5.586 1.00 0.00 H new ATOM 198 N GLY A 14 1.954 3.684 8.107 1.00 0.00 N ATOM 199 CA GLY A 14 3.310 3.774 8.577 1.00 0.00 C ATOM 200 C GLY A 14 3.541 4.916 9.540 1.00 0.00 C ATOM 201 O GLY A 14 2.756 5.146 10.460 1.00 0.00 O ATOM 0 H GLY A 14 1.465 2.826 8.361 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.580 2.838 9.065 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.975 3.891 7.722 1.00 0.00 H new ATOM 205 N PRO A 15 4.653 5.621 9.349 1.00 0.00 N ATOM 206 CA PRO A 15 5.076 6.736 10.183 1.00 0.00 C ATOM 207 C PRO A 15 4.575 8.082 9.662 1.00 0.00 C ATOM 208 O PRO A 15 5.134 8.639 8.717 1.00 0.00 O ATOM 209 CB PRO A 15 6.587 6.608 10.043 1.00 0.00 C ATOM 210 CG PRO A 15 6.763 6.286 8.608 1.00 0.00 C ATOM 211 CD PRO A 15 5.634 5.347 8.290 1.00 0.00 C ATOM 0 HA PRO A 15 4.697 6.705 11.204 1.00 0.00 H new ATOM 0 HB2 PRO A 15 7.097 7.532 10.315 1.00 0.00 H new ATOM 0 HB3 PRO A 15 6.987 5.823 10.685 1.00 0.00 H new ATOM 0 HG2 PRO A 15 6.718 7.184 7.992 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.731 5.820 8.422 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.220 5.538 7.300 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.960 4.307 8.304 1.00 0.00 H new ATOM 219 N GLY A 16 3.513 8.594 10.279 1.00 0.00 N ATOM 220 CA GLY A 16 2.946 9.866 9.859 1.00 0.00 C ATOM 221 C GLY A 16 1.903 9.689 8.773 1.00 0.00 C ATOM 222 O GLY A 16 0.706 9.833 9.018 1.00 0.00 O ATOM 0 H GLY A 16 3.034 8.151 11.063 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.495 10.364 10.718 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.742 10.516 9.495 1.00 0.00 H new ATOM 226 N GLY A 17 2.364 9.348 7.577 1.00 0.00 N ATOM 227 CA GLY A 17 1.477 9.120 6.463 1.00 0.00 C ATOM 228 C GLY A 17 2.223 8.798 5.197 1.00 0.00 C ATOM 229 O GLY A 17 1.804 9.151 4.094 1.00 0.00 O ATOM 0 H GLY A 17 3.353 9.225 7.361 1.00 0.00 H new ATOM 0 HA2 GLY A 17 0.800 8.300 6.702 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.861 10.005 6.304 1.00 0.00 H new ATOM 233 N LYS A 18 3.333 8.120 5.377 1.00 0.00 N ATOM 234 CA LYS A 18 4.185 7.714 4.293 1.00 0.00 C ATOM 235 C LYS A 18 3.532 6.600 3.503 1.00 0.00 C ATOM 236 O LYS A 18 3.653 6.518 2.280 1.00 0.00 O ATOM 237 CB LYS A 18 5.510 7.245 4.881 1.00 0.00 C ATOM 238 CG LYS A 18 6.599 8.289 4.885 1.00 0.00 C ATOM 239 CD LYS A 18 6.016 9.670 5.047 1.00 0.00 C ATOM 240 CE LYS A 18 7.091 10.742 5.111 1.00 0.00 C ATOM 241 NZ LYS A 18 7.296 11.401 3.791 1.00 0.00 N ATOM 0 H LYS A 18 3.671 7.833 6.296 1.00 0.00 H new ATOM 0 HA LYS A 18 4.355 8.550 3.614 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.341 6.912 5.905 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.857 6.379 4.317 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.299 8.088 5.696 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.164 8.235 3.955 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.345 9.880 4.214 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.416 9.705 5.956 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.813 11.492 5.852 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.028 10.297 5.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.259 11.790 3.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.166 10.703 3.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.606 12.171 3.676 1.00 0.00 H new ATOM 255 N GLY A 19 2.831 5.757 4.228 1.00 0.00 N ATOM 256 CA GLY A 19 2.134 4.651 3.633 1.00 0.00 C ATOM 257 C GLY A 19 0.639 4.894 3.552 1.00 0.00 C ATOM 258 O GLY A 19 0.165 5.993 3.832 1.00 0.00 O ATOM 0 H GLY A 19 2.731 5.822 5.241 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.526 4.472 2.632 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.323 3.749 4.215 1.00 0.00 H new ATOM 262 N ARG A 20 -0.099 3.865 3.165 1.00 0.00 N ATOM 263 CA ARG A 20 -1.539 3.944 3.035 1.00 0.00 C ATOM 264 C ARG A 20 -2.122 2.536 3.010 1.00 0.00 C ATOM 265 O ARG A 20 -1.377 1.556 3.033 1.00 0.00 O ATOM 266 CB ARG A 20 -1.892 4.690 1.753 1.00 0.00 C ATOM 267 CG ARG A 20 -1.527 3.920 0.503 1.00 0.00 C ATOM 268 CD ARG A 20 -2.587 4.056 -0.570 1.00 0.00 C ATOM 269 NE ARG A 20 -2.075 4.709 -1.773 1.00 0.00 N ATOM 270 CZ ARG A 20 -1.840 6.015 -1.866 1.00 0.00 C ATOM 271 NH1 ARG A 20 -2.062 6.812 -0.829 1.00 0.00 N ATOM 272 NH2 ARG A 20 -1.376 6.526 -2.999 1.00 0.00 N ATOM 0 H ARG A 20 0.289 2.951 2.932 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.959 4.484 3.883 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.961 4.901 1.744 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -1.378 5.651 1.745 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.573 4.281 0.119 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.393 2.867 0.751 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.968 3.068 -0.829 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.427 4.629 -0.178 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.887 4.129 -2.590 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -2.415 6.424 0.046 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.880 7.813 -0.907 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.200 5.917 -3.798 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.196 7.527 -3.071 1.00 0.00 H new ATOM 286 N CYS A 21 -3.437 2.430 2.919 1.00 0.00 N ATOM 287 CA CYS A 21 -4.076 1.124 2.843 1.00 0.00 C ATOM 288 C CYS A 21 -3.893 0.551 1.443 1.00 0.00 C ATOM 289 O CYS A 21 -3.702 1.302 0.487 1.00 0.00 O ATOM 290 CB CYS A 21 -5.551 1.257 3.156 1.00 0.00 C ATOM 291 SG CYS A 21 -5.978 0.981 4.906 1.00 0.00 S ATOM 0 H CYS A 21 -4.079 3.223 2.896 1.00 0.00 H new ATOM 0 HA CYS A 21 -3.618 0.453 3.570 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -5.883 2.254 2.867 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -6.105 0.546 2.543 1.00 0.00 H new ATOM 296 N PHE A 22 -3.929 -0.773 1.313 1.00 0.00 N ATOM 297 CA PHE A 22 -3.735 -1.392 -0.001 1.00 0.00 C ATOM 298 C PHE A 22 -4.741 -2.504 -0.300 1.00 0.00 C ATOM 299 O PHE A 22 -5.050 -2.757 -1.465 1.00 0.00 O ATOM 300 CB PHE A 22 -2.314 -1.942 -0.099 1.00 0.00 C ATOM 301 CG PHE A 22 -1.336 -0.890 -0.515 1.00 0.00 C ATOM 302 CD1 PHE A 22 -1.027 0.152 0.342 1.00 0.00 C ATOM 303 CD2 PHE A 22 -0.734 -0.932 -1.761 1.00 0.00 C ATOM 304 CE1 PHE A 22 -0.133 1.131 -0.039 1.00 0.00 C ATOM 305 CE2 PHE A 22 0.160 0.047 -2.146 1.00 0.00 C ATOM 306 CZ PHE A 22 0.460 1.079 -1.283 1.00 0.00 C ATOM 0 H PHE A 22 -4.087 -1.427 2.080 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.899 -0.614 -0.746 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.017 -2.353 0.866 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.291 -2.763 -0.816 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.490 0.199 1.317 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.966 -1.740 -2.439 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.103 1.939 0.638 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.623 0.004 -3.121 1.00 0.00 H new ATOM 0 HZ PHE A 22 1.159 1.846 -1.581 1.00 0.00 H new ATOM 316 N GLY A 23 -5.250 -3.173 0.730 1.00 0.00 N ATOM 317 CA GLY A 23 -6.198 -4.246 0.490 1.00 0.00 C ATOM 318 C GLY A 23 -6.869 -4.778 1.747 1.00 0.00 C ATOM 319 O GLY A 23 -7.707 -4.096 2.337 1.00 0.00 O ATOM 0 H GLY A 23 -5.028 -2.996 1.710 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.967 -3.890 -0.196 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.682 -5.067 -0.008 1.00 0.00 H new ATOM 323 N PRO A 24 -6.546 -6.019 2.167 1.00 0.00 N ATOM 324 CA PRO A 24 -7.146 -6.649 3.334 1.00 0.00 C ATOM 325 C PRO A 24 -6.273 -6.542 4.576 1.00 0.00 C ATOM 326 O PRO A 24 -5.282 -7.260 4.706 1.00 0.00 O ATOM 327 CB PRO A 24 -7.231 -8.097 2.872 1.00 0.00 C ATOM 328 CG PRO A 24 -5.993 -8.298 2.053 1.00 0.00 C ATOM 329 CD PRO A 24 -5.587 -6.937 1.522 1.00 0.00 C ATOM 0 HA PRO A 24 -8.092 -6.193 3.628 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -7.264 -8.783 3.718 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.131 -8.274 2.283 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -5.196 -8.729 2.659 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.181 -8.991 1.233 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.558 -6.693 1.786 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.657 -6.892 0.435 1.00 0.00 H new ATOM 337 N SER A 25 -6.631 -5.640 5.487 1.00 0.00 N ATOM 338 CA SER A 25 -5.848 -5.457 6.705 1.00 0.00 C ATOM 339 C SER A 25 -4.387 -5.225 6.355 1.00 0.00 C ATOM 340 O SER A 25 -3.495 -5.495 7.159 1.00 0.00 O ATOM 341 CB SER A 25 -5.953 -6.695 7.597 1.00 0.00 C ATOM 342 OG SER A 25 -6.083 -6.333 8.961 1.00 0.00 O ATOM 0 H SER A 25 -7.446 -5.033 5.407 1.00 0.00 H new ATOM 0 HA SER A 25 -6.242 -4.592 7.238 1.00 0.00 H new ATOM 0 HB2 SER A 25 -6.812 -7.294 7.293 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.068 -7.317 7.466 1.00 0.00 H new ATOM 0 HG SER A 25 -6.150 -7.142 9.509 1.00 0.00 H new ATOM 348 N ILE A 26 -4.146 -4.764 5.136 1.00 0.00 N ATOM 349 CA ILE A 26 -2.794 -4.552 4.675 1.00 0.00 C ATOM 350 C ILE A 26 -2.454 -3.080 4.484 1.00 0.00 C ATOM 351 O ILE A 26 -3.328 -2.212 4.402 1.00 0.00 O ATOM 352 CB ILE A 26 -2.550 -5.311 3.361 1.00 0.00 C ATOM 353 CG1 ILE A 26 -1.102 -5.740 3.255 1.00 0.00 C ATOM 354 CG2 ILE A 26 -2.919 -4.452 2.172 1.00 0.00 C ATOM 355 CD1 ILE A 26 -0.932 -7.012 2.452 1.00 0.00 C ATOM 0 H ILE A 26 -4.870 -4.532 4.456 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.139 -4.937 5.456 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.182 -6.199 3.362 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.523 -4.941 2.792 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.696 -5.889 4.256 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.739 -5.008 1.252 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.973 -4.181 2.232 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.311 -3.547 2.174 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.125 -7.275 2.407 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.487 -7.820 2.928 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.311 -6.858 1.442 1.00 0.00 H new ATOM 367 N CYS A 27 -1.159 -2.835 4.409 1.00 0.00 N ATOM 368 CA CYS A 27 -0.607 -1.517 4.233 1.00 0.00 C ATOM 369 C CYS A 27 0.724 -1.641 3.502 1.00 0.00 C ATOM 370 O CYS A 27 1.461 -2.605 3.715 1.00 0.00 O ATOM 371 CB CYS A 27 -0.426 -0.882 5.596 1.00 0.00 C ATOM 372 SG CYS A 27 -1.520 0.533 5.904 1.00 0.00 S ATOM 0 H CYS A 27 -0.451 -3.567 4.471 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.272 -0.887 3.642 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.601 -1.637 6.363 1.00 0.00 H new ATOM 0 HB3 CYS A 27 0.609 -0.557 5.699 1.00 0.00 H new ATOM 377 N CYS A 28 1.031 -0.701 2.623 1.00 0.00 N ATOM 378 CA CYS A 28 2.253 -0.791 1.865 1.00 0.00 C ATOM 379 C CYS A 28 2.856 0.576 1.590 1.00 0.00 C ATOM 380 O CYS A 28 2.379 1.292 0.709 1.00 0.00 O ATOM 381 CB CYS A 28 1.949 -1.500 0.543 1.00 0.00 C ATOM 382 SG CYS A 28 3.038 -2.900 0.131 1.00 0.00 S ATOM 0 H CYS A 28 0.457 0.118 2.424 1.00 0.00 H new ATOM 0 HA CYS A 28 2.983 -1.352 2.448 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.920 -1.860 0.573 1.00 0.00 H new ATOM 0 HB3 CYS A 28 2.008 -0.768 -0.263 1.00 0.00 H new ATOM 387 N GLY A 29 3.901 0.953 2.317 1.00 0.00 N ATOM 388 CA GLY A 29 4.503 2.194 2.066 1.00 0.00 C ATOM 389 C GLY A 29 5.582 2.038 1.017 1.00 0.00 C ATOM 390 O GLY A 29 6.551 1.319 1.249 1.00 0.00 O ATOM 0 H GLY A 29 4.322 0.405 3.067 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.754 2.910 1.727 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.932 2.593 2.985 1.00 0.00 H new ATOM 394 N ASP A 30 5.431 2.664 -0.146 1.00 0.00 N ATOM 395 CA ASP A 30 6.438 2.531 -1.195 1.00 0.00 C ATOM 396 C ASP A 30 7.760 3.013 -0.630 1.00 0.00 C ATOM 397 O ASP A 30 8.735 2.265 -0.562 1.00 0.00 O ATOM 398 CB ASP A 30 6.051 3.360 -2.423 1.00 0.00 C ATOM 399 CG ASP A 30 6.995 3.142 -3.589 1.00 0.00 C ATOM 400 OD1 ASP A 30 7.327 1.972 -3.874 1.00 0.00 O ATOM 401 OD2 ASP A 30 7.402 4.142 -4.219 1.00 0.00 O ATOM 0 H ASP A 30 4.637 3.258 -0.384 1.00 0.00 H new ATOM 0 HA ASP A 30 6.515 1.491 -1.511 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.037 3.102 -2.727 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.045 4.417 -2.157 1.00 0.00 H new ATOM 406 N GLU A 31 7.749 4.232 -0.135 1.00 0.00 N ATOM 407 CA GLU A 31 8.893 4.794 0.534 1.00 0.00 C ATOM 408 C GLU A 31 8.881 4.334 1.992 1.00 0.00 C ATOM 409 O GLU A 31 9.562 4.907 2.842 1.00 0.00 O ATOM 410 CB GLU A 31 8.806 6.313 0.497 1.00 0.00 C ATOM 411 CG GLU A 31 7.543 6.849 1.157 1.00 0.00 C ATOM 412 CD GLU A 31 7.766 8.201 1.797 1.00 0.00 C ATOM 413 OE1 GLU A 31 8.857 8.414 2.367 1.00 0.00 O ATOM 414 OE2 GLU A 31 6.851 9.049 1.731 1.00 0.00 O ATOM 0 H GLU A 31 6.945 4.858 -0.187 1.00 0.00 H new ATOM 0 HA GLU A 31 9.808 4.468 0.040 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.678 6.734 0.997 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.839 6.649 -0.539 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.751 6.927 0.413 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.202 6.142 1.913 1.00 0.00 H new ATOM 421 N LEU A 32 8.018 3.357 2.285 1.00 0.00 N ATOM 422 CA LEU A 32 7.815 2.893 3.644 1.00 0.00 C ATOM 423 C LEU A 32 7.537 1.391 3.743 1.00 0.00 C ATOM 424 O LEU A 32 6.745 0.964 4.572 1.00 0.00 O ATOM 425 CB LEU A 32 6.648 3.709 4.183 1.00 0.00 C ATOM 426 CG LEU A 32 6.205 3.487 5.623 1.00 0.00 C ATOM 427 CD1 LEU A 32 4.916 2.703 5.617 1.00 0.00 C ATOM 428 CD2 LEU A 32 7.267 2.802 6.485 1.00 0.00 C ATOM 0 H LEU A 32 7.450 2.875 1.589 1.00 0.00 H new ATOM 0 HA LEU A 32 8.725 3.034 4.228 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.903 4.763 4.074 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.788 3.521 3.540 1.00 0.00 H new ATOM 0 HG LEU A 32 6.050 4.463 6.082 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.587 2.536 6.643 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.152 3.263 5.077 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.077 1.743 5.127 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.886 2.674 7.498 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.506 1.826 6.062 1.00 0.00 H new ATOM 0 HD23 LEU A 32 8.167 3.416 6.510 1.00 0.00 H new ATOM 440 N GLY A 33 8.210 0.599 2.911 1.00 0.00 N ATOM 441 CA GLY A 33 8.045 -0.855 2.938 1.00 0.00 C ATOM 442 C GLY A 33 6.607 -1.317 3.133 1.00 0.00 C ATOM 443 O GLY A 33 5.683 -0.507 3.140 1.00 0.00 O ATOM 0 H GLY A 33 8.872 0.936 2.212 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.424 -1.270 2.004 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.658 -1.264 3.741 1.00 0.00 H new ATOM 447 N CYS A 34 6.410 -2.633 3.256 1.00 0.00 N ATOM 448 CA CYS A 34 5.063 -3.176 3.400 1.00 0.00 C ATOM 449 C CYS A 34 4.824 -3.911 4.706 1.00 0.00 C ATOM 450 O CYS A 34 5.654 -4.691 5.168 1.00 0.00 O ATOM 451 CB CYS A 34 4.749 -4.123 2.257 1.00 0.00 C ATOM 452 SG CYS A 34 3.005 -4.085 1.768 1.00 0.00 S ATOM 0 H CYS A 34 7.155 -3.330 3.259 1.00 0.00 H new ATOM 0 HA CYS A 34 4.404 -2.308 3.390 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.368 -3.865 1.398 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.017 -5.138 2.549 1.00 0.00 H new ATOM 457 N PHE A 35 3.645 -3.665 5.267 1.00 0.00 N ATOM 458 CA PHE A 35 3.212 -4.307 6.502 1.00 0.00 C ATOM 459 C PHE A 35 1.794 -4.847 6.352 1.00 0.00 C ATOM 460 O PHE A 35 0.896 -4.111 5.948 1.00 0.00 O ATOM 461 CB PHE A 35 3.242 -3.309 7.651 1.00 0.00 C ATOM 462 CG PHE A 35 4.430 -2.416 7.627 1.00 0.00 C ATOM 463 CD1 PHE A 35 4.559 -1.467 6.636 1.00 0.00 C ATOM 464 CD2 PHE A 35 5.415 -2.527 8.587 1.00 0.00 C ATOM 465 CE1 PHE A 35 5.649 -0.638 6.594 1.00 0.00 C ATOM 466 CE2 PHE A 35 6.520 -1.692 8.554 1.00 0.00 C ATOM 467 CZ PHE A 35 6.633 -0.744 7.549 1.00 0.00 C ATOM 0 H PHE A 35 2.963 -3.014 4.878 1.00 0.00 H new ATOM 0 HA PHE A 35 3.893 -5.131 6.714 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.338 -2.700 7.617 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.225 -3.853 8.595 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.791 -1.376 5.883 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.324 -3.268 9.367 1.00 0.00 H new ATOM 0 HE1 PHE A 35 5.736 0.100 5.810 1.00 0.00 H new ATOM 0 HE2 PHE A 35 7.289 -1.779 9.307 1.00 0.00 H new ATOM 0 HZ PHE A 35 7.492 -0.090 7.516 1.00 0.00 H new ATOM 477 N VAL A 36 1.570 -6.106 6.705 1.00 0.00 N ATOM 478 CA VAL A 36 0.226 -6.659 6.622 1.00 0.00 C ATOM 479 C VAL A 36 -0.388 -6.747 8.001 1.00 0.00 C ATOM 480 O VAL A 36 -0.143 -7.691 8.751 1.00 0.00 O ATOM 481 CB VAL A 36 0.174 -8.043 5.954 1.00 0.00 C ATOM 482 CG1 VAL A 36 -1.267 -8.400 5.597 1.00 0.00 C ATOM 483 CG2 VAL A 36 1.068 -8.077 4.723 1.00 0.00 C ATOM 0 H VAL A 36 2.284 -6.751 7.044 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.344 -5.977 5.991 1.00 0.00 H new ATOM 0 HB VAL A 36 0.547 -8.788 6.657 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.292 -9.382 5.125 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.873 -8.418 6.503 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.666 -7.656 4.908 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.018 -9.064 4.264 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.731 -7.327 4.008 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.097 -7.864 5.014 1.00 0.00 H new ATOM 493 N GLY A 37 -1.188 -5.749 8.321 1.00 0.00 N ATOM 494 CA GLY A 37 -1.839 -5.707 9.615 1.00 0.00 C ATOM 495 C GLY A 37 -0.858 -5.573 10.770 1.00 0.00 C ATOM 496 O GLY A 37 -1.210 -5.841 11.919 1.00 0.00 O ATOM 0 H GLY A 37 -1.402 -4.962 7.708 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.536 -4.869 9.638 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.428 -6.615 9.749 1.00 0.00 H new ATOM 500 N THR A 38 0.376 -5.156 10.473 1.00 0.00 N ATOM 501 CA THR A 38 1.388 -4.980 11.515 1.00 0.00 C ATOM 502 C THR A 38 1.088 -3.726 12.323 1.00 0.00 C ATOM 503 O THR A 38 0.050 -3.091 12.141 1.00 0.00 O ATOM 504 CB THR A 38 2.796 -4.830 10.922 1.00 0.00 C ATOM 505 OG1 THR A 38 2.972 -3.525 10.413 1.00 0.00 O ATOM 506 CG2 THR A 38 3.132 -5.793 9.807 1.00 0.00 C ATOM 0 H THR A 38 0.695 -4.936 9.529 1.00 0.00 H new ATOM 0 HA THR A 38 1.357 -5.869 12.145 1.00 0.00 H new ATOM 0 HB THR A 38 3.463 -5.052 11.755 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.857 -3.191 10.668 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.147 -5.605 9.457 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.059 -6.816 10.176 1.00 0.00 H new ATOM 0 HG23 THR A 38 2.433 -5.653 8.983 1.00 0.00 H new ATOM 514 N ALA A 39 2.029 -3.343 13.181 1.00 0.00 N ATOM 515 CA ALA A 39 1.876 -2.133 13.971 1.00 0.00 C ATOM 516 C ALA A 39 1.868 -0.926 13.042 1.00 0.00 C ATOM 517 O ALA A 39 1.029 -0.044 13.154 1.00 0.00 O ATOM 518 CB ALA A 39 2.994 -2.018 14.998 1.00 0.00 C ATOM 0 H ALA A 39 2.898 -3.851 13.344 1.00 0.00 H new ATOM 0 HA ALA A 39 0.931 -2.173 14.513 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.862 -1.106 15.579 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.966 -2.880 15.664 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.956 -1.986 14.487 1.00 0.00 H new ATOM 524 N GLU A 40 2.804 -0.911 12.106 1.00 0.00 N ATOM 525 CA GLU A 40 2.907 0.166 11.134 1.00 0.00 C ATOM 526 C GLU A 40 1.786 0.084 10.089 1.00 0.00 C ATOM 527 O GLU A 40 1.567 1.029 9.329 1.00 0.00 O ATOM 528 CB GLU A 40 4.269 0.098 10.444 1.00 0.00 C ATOM 529 CG GLU A 40 5.280 1.099 10.979 1.00 0.00 C ATOM 530 CD GLU A 40 5.653 0.836 12.425 1.00 0.00 C ATOM 531 OE1 GLU A 40 6.258 -0.222 12.700 1.00 0.00 O ATOM 532 OE2 GLU A 40 5.341 1.689 13.282 1.00 0.00 O ATOM 0 H GLU A 40 3.509 -1.640 11.999 1.00 0.00 H new ATOM 0 HA GLU A 40 2.805 1.115 11.660 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.673 -0.908 10.557 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.133 0.269 9.376 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.179 1.065 10.364 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.871 2.105 10.891 1.00 0.00 H new ATOM 539 N ALA A 41 1.103 -1.060 10.035 1.00 0.00 N ATOM 540 CA ALA A 41 0.030 -1.276 9.063 1.00 0.00 C ATOM 541 C ALA A 41 -1.367 -1.136 9.665 1.00 0.00 C ATOM 542 O ALA A 41 -2.361 -1.152 8.939 1.00 0.00 O ATOM 543 CB ALA A 41 0.167 -2.657 8.467 1.00 0.00 C ATOM 0 H ALA A 41 1.274 -1.853 10.654 1.00 0.00 H new ATOM 0 HA ALA A 41 0.134 -0.502 8.302 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.631 -2.821 7.743 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.133 -2.744 7.969 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.098 -3.403 9.258 1.00 0.00 H new ATOM 549 N LEU A 42 -1.448 -1.045 10.982 1.00 0.00 N ATOM 550 CA LEU A 42 -2.735 -0.947 11.660 1.00 0.00 C ATOM 551 C LEU A 42 -3.622 0.167 11.123 1.00 0.00 C ATOM 552 O LEU A 42 -4.825 0.153 11.357 1.00 0.00 O ATOM 553 CB LEU A 42 -2.553 -0.787 13.173 1.00 0.00 C ATOM 554 CG LEU A 42 -1.591 0.319 13.642 1.00 0.00 C ATOM 555 CD1 LEU A 42 -1.091 1.182 12.488 1.00 0.00 C ATOM 556 CD2 LEU A 42 -2.257 1.190 14.697 1.00 0.00 C ATOM 0 H LEU A 42 -0.640 -1.037 11.605 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.247 -1.887 11.453 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.531 -0.597 13.615 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.201 -1.737 13.575 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.723 -0.177 14.077 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.416 1.947 12.872 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.561 0.557 11.770 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.939 1.660 11.997 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.563 1.967 15.018 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.150 1.652 14.276 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.535 0.576 15.553 1.00 0.00 H new ATOM 568 N ARG A 43 -3.059 1.121 10.397 1.00 0.00 N ATOM 569 CA ARG A 43 -3.867 2.201 9.846 1.00 0.00 C ATOM 570 C ARG A 43 -5.081 1.638 9.109 1.00 0.00 C ATOM 571 O ARG A 43 -6.136 2.275 9.034 1.00 0.00 O ATOM 572 CB ARG A 43 -3.033 3.068 8.904 1.00 0.00 C ATOM 573 CG ARG A 43 -2.726 4.447 9.467 1.00 0.00 C ATOM 574 CD ARG A 43 -1.905 4.351 10.744 1.00 0.00 C ATOM 575 NE ARG A 43 -0.680 5.144 10.674 1.00 0.00 N ATOM 576 CZ ARG A 43 -0.584 6.407 11.087 1.00 0.00 C ATOM 577 NH1 ARG A 43 -1.645 7.041 11.572 1.00 0.00 N ATOM 578 NH2 ARG A 43 0.579 7.040 11.010 1.00 0.00 N ATOM 0 H ARG A 43 -2.064 1.171 10.178 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.217 2.822 10.671 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.096 2.556 8.685 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.564 3.179 7.959 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.182 5.032 8.725 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.658 4.975 9.670 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.507 4.690 11.587 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.650 3.308 10.933 1.00 0.00 H new ATOM 0 HE ARG A 43 0.153 4.703 10.285 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.543 6.561 11.631 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.562 8.008 11.886 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.397 6.560 10.635 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.655 8.007 11.325 1.00 0.00 H new ATOM 592 N CYS A 44 -4.928 0.431 8.575 1.00 0.00 N ATOM 593 CA CYS A 44 -6.010 -0.215 7.846 1.00 0.00 C ATOM 594 C CYS A 44 -7.052 -0.810 8.784 1.00 0.00 C ATOM 595 O CYS A 44 -8.077 -1.320 8.332 1.00 0.00 O ATOM 596 CB CYS A 44 -5.459 -1.275 6.894 1.00 0.00 C ATOM 597 SG CYS A 44 -5.928 -1.038 5.143 1.00 0.00 S ATOM 0 H CYS A 44 -4.069 -0.116 8.633 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.512 0.552 7.256 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -4.372 -1.282 6.968 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -5.807 -2.255 7.221 1.00 0.00 H new ATOM 602 N GLN A 45 -6.814 -0.715 10.089 1.00 0.00 N ATOM 603 CA GLN A 45 -7.764 -1.211 11.060 1.00 0.00 C ATOM 604 C GLN A 45 -9.102 -0.525 10.837 1.00 0.00 C ATOM 605 O GLN A 45 -10.161 -1.070 11.148 1.00 0.00 O ATOM 606 CB GLN A 45 -7.268 -0.934 12.476 1.00 0.00 C ATOM 607 CG GLN A 45 -6.726 -2.162 13.189 1.00 0.00 C ATOM 608 CD GLN A 45 -6.322 -1.874 14.622 1.00 0.00 C ATOM 609 OE1 GLN A 45 -6.653 -2.629 15.536 1.00 0.00 O ATOM 610 NE2 GLN A 45 -5.604 -0.775 14.826 1.00 0.00 N ATOM 0 H GLN A 45 -5.973 -0.300 10.490 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.876 -2.288 10.939 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.487 -0.175 12.435 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.087 -0.517 13.062 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -7.483 -2.946 13.180 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -5.864 -2.544 12.642 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -5.352 -0.177 14.039 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -5.305 -0.529 15.770 1.00 0.00 H new ATOM 619 N GLU A 46 -9.034 0.681 10.275 1.00 0.00 N ATOM 620 CA GLU A 46 -10.226 1.450 9.980 1.00 0.00 C ATOM 621 C GLU A 46 -10.855 0.951 8.685 1.00 0.00 C ATOM 622 O GLU A 46 -12.051 1.126 8.449 1.00 0.00 O ATOM 623 CB GLU A 46 -9.874 2.935 9.872 1.00 0.00 C ATOM 624 CG GLU A 46 -9.245 3.324 8.545 1.00 0.00 C ATOM 625 CD GLU A 46 -10.269 3.758 7.514 1.00 0.00 C ATOM 626 OE1 GLU A 46 -10.771 4.897 7.619 1.00 0.00 O ATOM 627 OE2 GLU A 46 -10.567 2.959 6.601 1.00 0.00 O ATOM 0 H GLU A 46 -8.161 1.141 10.017 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.947 1.323 10.788 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.779 3.524 10.021 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.188 3.195 10.678 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.535 4.135 8.709 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.679 2.478 8.155 1.00 0.00 H new ATOM 634 N GLU A 47 -10.036 0.309 7.855 1.00 0.00 N ATOM 635 CA GLU A 47 -10.508 -0.236 6.590 1.00 0.00 C ATOM 636 C GLU A 47 -11.202 -1.580 6.806 1.00 0.00 C ATOM 637 O GLU A 47 -11.684 -2.197 5.857 1.00 0.00 O ATOM 638 CB GLU A 47 -9.340 -0.395 5.613 1.00 0.00 C ATOM 639 CG GLU A 47 -9.494 0.430 4.346 1.00 0.00 C ATOM 640 CD GLU A 47 -9.471 -0.419 3.089 1.00 0.00 C ATOM 641 OE1 GLU A 47 -10.523 -0.997 2.744 1.00 0.00 O ATOM 642 OE2 GLU A 47 -8.401 -0.505 2.450 1.00 0.00 O ATOM 0 H GLU A 47 -9.044 0.155 8.038 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.231 0.460 6.165 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.416 -0.108 6.114 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.243 -1.447 5.343 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.432 0.983 4.389 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.692 1.166 4.297 1.00 0.00 H new ATOM 649 N ASN A 48 -11.255 -2.026 8.061 1.00 0.00 N ATOM 650 CA ASN A 48 -11.886 -3.284 8.400 1.00 0.00 C ATOM 651 C ASN A 48 -13.398 -3.114 8.554 1.00 0.00 C ATOM 652 O ASN A 48 -14.140 -4.095 8.587 1.00 0.00 O ATOM 653 CB ASN A 48 -11.291 -3.833 9.699 1.00 0.00 C ATOM 654 CG ASN A 48 -11.091 -5.335 9.657 1.00 0.00 C ATOM 655 OD1 ASN A 48 -11.786 -6.044 8.930 1.00 0.00 O ATOM 656 ND2 ASN A 48 -10.141 -5.826 10.443 1.00 0.00 N ATOM 0 H ASN A 48 -10.863 -1.525 8.858 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.700 -3.988 7.589 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.334 -3.348 9.890 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.948 -3.580 10.531 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -9.962 -6.830 10.461 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.589 -5.199 11.029 1.00 0.00 H new ATOM 663 N TYR A 49 -13.849 -1.861 8.637 1.00 0.00 N ATOM 664 CA TYR A 49 -15.272 -1.561 8.787 1.00 0.00 C ATOM 665 C TYR A 49 -15.973 -1.531 7.426 1.00 0.00 C ATOM 666 O TYR A 49 -16.206 -2.577 6.820 1.00 0.00 O ATOM 667 CB TYR A 49 -15.449 -0.226 9.528 1.00 0.00 C ATOM 668 CG TYR A 49 -15.306 -0.310 11.031 1.00 0.00 C ATOM 669 CD1 TYR A 49 -14.968 -1.500 11.639 1.00 0.00 C ATOM 670 CD2 TYR A 49 -15.519 0.801 11.836 1.00 0.00 C ATOM 671 CE1 TYR A 49 -14.844 -1.596 13.011 1.00 0.00 C ATOM 672 CE2 TYR A 49 -15.396 0.720 13.210 1.00 0.00 C ATOM 673 CZ TYR A 49 -15.059 -0.482 13.793 1.00 0.00 C ATOM 674 OH TYR A 49 -14.937 -0.570 15.160 1.00 0.00 O ATOM 0 H TYR A 49 -13.248 -1.038 8.603 1.00 0.00 H new ATOM 0 HA TYR A 49 -15.736 -2.352 9.377 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -14.716 0.485 9.147 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -16.435 0.176 9.293 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -14.797 -2.375 11.030 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -15.785 1.744 11.381 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -14.580 -2.538 13.468 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -15.563 1.593 13.823 1.00 0.00 H new ATOM 0 HH TYR A 49 -15.120 0.305 15.562 1.00 0.00 H new ATOM 684 N LEU A 50 -16.316 -0.337 6.956 1.00 0.00 N ATOM 685 CA LEU A 50 -16.993 -0.178 5.686 1.00 0.00 C ATOM 686 C LEU A 50 -16.025 0.305 4.606 1.00 0.00 C ATOM 687 O LEU A 50 -15.678 1.485 4.557 1.00 0.00 O ATOM 688 CB LEU A 50 -18.156 0.807 5.826 1.00 0.00 C ATOM 689 CG LEU A 50 -19.191 0.754 4.700 1.00 0.00 C ATOM 690 CD1 LEU A 50 -20.223 -0.330 4.974 1.00 0.00 C ATOM 691 CD2 LEU A 50 -19.866 2.107 4.533 1.00 0.00 C ATOM 0 H LEU A 50 -16.132 0.539 7.445 1.00 0.00 H new ATOM 0 HA LEU A 50 -17.383 -1.151 5.386 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -18.662 0.616 6.773 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -17.751 1.818 5.879 1.00 0.00 H new ATOM 0 HG LEU A 50 -18.677 0.510 3.770 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -20.951 -0.353 4.163 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -19.725 -1.297 5.042 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -20.733 -0.117 5.913 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -20.599 2.051 3.728 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -20.367 2.381 5.462 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -19.116 2.860 4.289 1.00 0.00 H new ATOM 703 N PRO A 51 -15.569 -0.606 3.724 1.00 0.00 N ATOM 704 CA PRO A 51 -14.635 -0.270 2.644 1.00 0.00 C ATOM 705 C PRO A 51 -14.990 1.033 1.934 1.00 0.00 C ATOM 706 O PRO A 51 -16.121 1.218 1.485 1.00 0.00 O ATOM 707 CB PRO A 51 -14.784 -1.454 1.698 1.00 0.00 C ATOM 708 CG PRO A 51 -15.043 -2.593 2.614 1.00 0.00 C ATOM 709 CD PRO A 51 -15.922 -2.040 3.705 1.00 0.00 C ATOM 0 HA PRO A 51 -13.621 -0.110 3.011 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -15.605 -1.307 0.996 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -13.883 -1.611 1.105 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -15.535 -3.413 2.091 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -14.113 -2.988 3.022 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -16.979 -2.192 3.487 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -15.722 -2.517 4.664 1.00 0.00 H new ATOM 717 N SER A 52 -14.015 1.930 1.835 1.00 0.00 N ATOM 718 CA SER A 52 -14.217 3.216 1.176 1.00 0.00 C ATOM 719 C SER A 52 -13.203 3.407 0.049 1.00 0.00 C ATOM 720 O SER A 52 -11.996 3.334 0.277 1.00 0.00 O ATOM 721 CB SER A 52 -14.087 4.357 2.188 1.00 0.00 C ATOM 722 OG SER A 52 -14.352 5.614 1.586 1.00 0.00 O ATOM 0 H SER A 52 -13.074 1.790 2.204 1.00 0.00 H new ATOM 0 HA SER A 52 -15.221 3.228 0.751 1.00 0.00 H new ATOM 0 HB2 SER A 52 -14.780 4.194 3.014 1.00 0.00 H new ATOM 0 HB3 SER A 52 -13.082 4.358 2.610 1.00 0.00 H new ATOM 0 HG SER A 52 -14.263 6.323 2.257 1.00 0.00 H new ATOM 728 N PRO A 53 -13.674 3.659 -1.187 1.00 0.00 N ATOM 729 CA PRO A 53 -12.788 3.862 -2.338 1.00 0.00 C ATOM 730 C PRO A 53 -12.093 5.220 -2.297 1.00 0.00 C ATOM 731 O PRO A 53 -12.190 6.009 -3.236 1.00 0.00 O ATOM 732 CB PRO A 53 -13.740 3.781 -3.531 1.00 0.00 C ATOM 733 CG PRO A 53 -15.052 4.234 -2.992 1.00 0.00 C ATOM 734 CD PRO A 53 -15.097 3.769 -1.561 1.00 0.00 C ATOM 0 HA PRO A 53 -11.980 3.131 -2.371 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -13.406 4.418 -4.350 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -13.801 2.765 -3.922 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -15.145 5.318 -3.053 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -15.876 3.811 -3.566 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -15.625 4.480 -0.925 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -15.612 2.813 -1.466 1.00 0.00 H new ATOM 742 N CYS A 54 -11.393 5.481 -1.197 1.00 0.00 N ATOM 743 CA CYS A 54 -10.675 6.740 -1.012 1.00 0.00 C ATOM 744 C CYS A 54 -9.180 6.479 -0.850 1.00 0.00 C ATOM 745 O CYS A 54 -8.769 5.754 0.056 1.00 0.00 O ATOM 746 CB CYS A 54 -11.211 7.466 0.225 1.00 0.00 C ATOM 747 SG CYS A 54 -10.701 9.210 0.350 1.00 0.00 S ATOM 0 H CYS A 54 -11.307 4.833 -0.414 1.00 0.00 H new ATOM 0 HA CYS A 54 -10.829 7.364 -1.892 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -12.300 7.418 0.217 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -10.875 6.937 1.117 1.00 0.00 H new ATOM 752 N GLN A 55 -8.368 7.072 -1.723 1.00 0.00 N ATOM 753 CA GLN A 55 -6.924 6.894 -1.653 1.00 0.00 C ATOM 754 C GLN A 55 -6.544 5.417 -1.584 1.00 0.00 C ATOM 755 O GLN A 55 -6.556 4.808 -0.514 1.00 0.00 O ATOM 756 CB GLN A 55 -6.380 7.634 -0.436 1.00 0.00 C ATOM 757 CG GLN A 55 -4.880 7.489 -0.247 1.00 0.00 C ATOM 758 CD GLN A 55 -4.507 7.026 1.147 1.00 0.00 C ATOM 759 OE1 GLN A 55 -3.772 7.706 1.864 1.00 0.00 O ATOM 760 NE2 GLN A 55 -5.014 5.864 1.540 1.00 0.00 N ATOM 0 H GLN A 55 -8.685 7.676 -2.482 1.00 0.00 H new ATOM 0 HA GLN A 55 -6.484 7.305 -2.561 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -6.624 8.692 -0.528 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -6.886 7.266 0.457 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -4.493 6.778 -0.977 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -4.399 8.446 -0.448 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -5.619 5.333 0.913 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.799 5.502 2.469 1.00 0.00 H new ATOM 769 N SER A 56 -6.203 4.856 -2.736 1.00 0.00 N ATOM 770 CA SER A 56 -5.813 3.455 -2.829 1.00 0.00 C ATOM 771 C SER A 56 -5.514 3.094 -4.277 1.00 0.00 C ATOM 772 O SER A 56 -6.344 3.309 -5.161 1.00 0.00 O ATOM 773 CB SER A 56 -6.918 2.551 -2.277 1.00 0.00 C ATOM 774 OG SER A 56 -8.163 2.829 -2.894 1.00 0.00 O ATOM 0 H SER A 56 -6.189 5.354 -3.626 1.00 0.00 H new ATOM 0 HA SER A 56 -4.914 3.304 -2.232 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.653 1.507 -2.441 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.003 2.693 -1.200 1.00 0.00 H new ATOM 0 HG SER A 56 -8.026 2.986 -3.851 1.00 0.00 H new ATOM 780 N GLY A 57 -4.326 2.553 -4.523 1.00 0.00 N ATOM 781 CA GLY A 57 -3.955 2.191 -5.876 1.00 0.00 C ATOM 782 C GLY A 57 -2.790 1.234 -5.910 1.00 0.00 C ATOM 783 O GLY A 57 -1.913 1.290 -5.049 1.00 0.00 O ATOM 0 H GLY A 57 -3.618 2.360 -3.814 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.810 1.737 -6.377 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.700 3.092 -6.434 1.00 0.00 H new ATOM 787 N GLN A 58 -2.786 0.336 -6.888 1.00 0.00 N ATOM 788 CA GLN A 58 -1.726 -0.641 -6.995 1.00 0.00 C ATOM 789 C GLN A 58 -1.134 -0.706 -8.406 1.00 0.00 C ATOM 790 O GLN A 58 -1.579 -1.494 -9.236 1.00 0.00 O ATOM 791 CB GLN A 58 -2.288 -1.990 -6.595 1.00 0.00 C ATOM 792 CG GLN A 58 -1.863 -2.414 -5.205 1.00 0.00 C ATOM 793 CD GLN A 58 -0.814 -3.503 -5.217 1.00 0.00 C ATOM 794 OE1 GLN A 58 -0.926 -4.489 -5.945 1.00 0.00 O ATOM 795 NE2 GLN A 58 0.214 -3.323 -4.403 1.00 0.00 N ATOM 0 H GLN A 58 -3.503 0.269 -7.611 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.911 -0.349 -6.333 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.376 -1.953 -6.642 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.963 -2.742 -7.314 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.474 -1.548 -4.669 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.736 -2.764 -4.654 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.262 -2.488 -3.819 1.00 0.00 H new ATOM 0 HE22 GLN A 58 0.959 -4.019 -4.360 1.00 0.00 H new ATOM 804 N LYS A 59 -0.110 0.113 -8.649 1.00 0.00 N ATOM 805 CA LYS A 59 0.584 0.160 -9.928 1.00 0.00 C ATOM 806 C LYS A 59 1.171 -1.214 -10.280 1.00 0.00 C ATOM 807 O LYS A 59 2.155 -1.645 -9.686 1.00 0.00 O ATOM 808 CB LYS A 59 1.677 1.231 -9.871 1.00 0.00 C ATOM 809 CG LYS A 59 2.291 1.440 -8.488 1.00 0.00 C ATOM 810 CD LYS A 59 1.569 2.558 -7.737 1.00 0.00 C ATOM 811 CE LYS A 59 1.564 2.351 -6.222 1.00 0.00 C ATOM 812 NZ LYS A 59 1.065 1.005 -5.819 1.00 0.00 N ATOM 0 H LYS A 59 0.260 0.765 -7.957 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.125 0.421 -10.714 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.469 0.960 -10.569 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.259 2.177 -10.215 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.232 0.514 -7.915 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.348 1.687 -8.588 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.047 3.510 -7.967 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.541 2.623 -8.093 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.575 2.487 -5.839 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.942 3.117 -5.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.005 0.953 -4.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.122 0.847 -6.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.720 0.274 -6.164 1.00 0.00 H new ATOM 826 N PRO A 60 0.522 -1.941 -11.214 1.00 0.00 N ATOM 827 CA PRO A 60 0.915 -3.302 -11.619 1.00 0.00 C ATOM 828 C PRO A 60 2.402 -3.554 -11.851 1.00 0.00 C ATOM 829 O PRO A 60 3.159 -2.653 -12.211 1.00 0.00 O ATOM 830 CB PRO A 60 0.155 -3.499 -12.927 1.00 0.00 C ATOM 831 CG PRO A 60 -1.087 -2.705 -12.754 1.00 0.00 C ATOM 832 CD PRO A 60 -0.708 -1.516 -11.914 1.00 0.00 C ATOM 0 HA PRO A 60 0.684 -3.995 -10.810 1.00 0.00 H new ATOM 0 HB2 PRO A 60 0.735 -3.149 -13.781 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -0.067 -4.551 -13.103 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -1.486 -2.390 -13.718 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -1.862 -3.296 -12.266 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -0.531 -0.634 -12.530 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -1.498 -1.259 -11.209 1.00 0.00 H new ATOM 840 N CYS A 61 2.780 -4.837 -11.711 1.00 0.00 N ATOM 841 CA CYS A 61 4.141 -5.282 -11.966 1.00 0.00 C ATOM 842 C CYS A 61 4.240 -6.794 -12.141 1.00 0.00 C ATOM 843 O CYS A 61 3.290 -7.562 -11.906 1.00 0.00 O ATOM 844 CB CYS A 61 5.147 -4.783 -10.926 1.00 0.00 C ATOM 845 SG CYS A 61 5.672 -5.984 -9.653 1.00 0.00 S ATOM 0 H CYS A 61 2.147 -5.582 -11.419 1.00 0.00 H new ATOM 0 HA CYS A 61 4.415 -4.821 -12.915 1.00 0.00 H new ATOM 0 HB2 CYS A 61 6.036 -4.434 -11.452 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.715 -3.919 -10.421 1.00 0.00 H new ATOM 850 N GLY A 62 5.413 -7.171 -12.605 1.00 0.00 N ATOM 851 CA GLY A 62 5.734 -8.557 -12.925 1.00 0.00 C ATOM 852 C GLY A 62 5.859 -9.508 -11.748 1.00 0.00 C ATOM 853 O GLY A 62 6.104 -10.698 -11.943 1.00 0.00 O ATOM 0 H GLY A 62 6.182 -6.522 -12.774 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.964 -8.941 -13.594 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.673 -8.572 -13.478 1.00 0.00 H new ATOM 857 N SER A 63 5.714 -9.008 -10.537 1.00 0.00 N ATOM 858 CA SER A 63 5.833 -9.841 -9.365 1.00 0.00 C ATOM 859 C SER A 63 4.474 -10.354 -8.904 1.00 0.00 C ATOM 860 O SER A 63 4.074 -10.149 -7.757 1.00 0.00 O ATOM 861 CB SER A 63 6.526 -9.070 -8.250 1.00 0.00 C ATOM 862 OG SER A 63 6.685 -9.870 -7.091 1.00 0.00 O ATOM 0 H SER A 63 5.513 -8.027 -10.342 1.00 0.00 H new ATOM 0 HA SER A 63 6.437 -10.711 -9.624 1.00 0.00 H new ATOM 0 HB2 SER A 63 7.502 -8.727 -8.594 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.945 -8.181 -8.004 1.00 0.00 H new ATOM 0 HG SER A 63 5.822 -10.262 -6.843 1.00 0.00 H new ATOM 868 N GLY A 64 3.774 -11.030 -9.808 1.00 0.00 N ATOM 869 CA GLY A 64 2.472 -11.581 -9.489 1.00 0.00 C ATOM 870 C GLY A 64 1.538 -10.578 -8.859 1.00 0.00 C ATOM 871 O GLY A 64 0.775 -10.910 -7.951 1.00 0.00 O ATOM 0 H GLY A 64 4.089 -11.207 -10.762 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.016 -11.969 -10.400 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.599 -12.425 -8.811 1.00 0.00 H new ATOM 875 N GLY A 65 1.591 -9.358 -9.348 1.00 0.00 N ATOM 876 CA GLY A 65 0.733 -8.320 -8.831 1.00 0.00 C ATOM 877 C GLY A 65 1.166 -6.931 -9.181 1.00 0.00 C ATOM 878 O GLY A 65 1.815 -6.706 -10.201 1.00 0.00 O ATOM 0 H GLY A 65 2.216 -9.064 -10.098 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.277 -8.479 -9.208 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.686 -8.411 -7.746 1.00 0.00 H new ATOM 882 N ARG A 66 0.784 -5.986 -8.341 1.00 0.00 N ATOM 883 CA ARG A 66 1.125 -4.612 -8.578 1.00 0.00 C ATOM 884 C ARG A 66 2.113 -4.095 -7.559 1.00 0.00 C ATOM 885 O ARG A 66 2.098 -4.494 -6.403 1.00 0.00 O ATOM 886 CB ARG A 66 -0.087 -3.699 -8.577 1.00 0.00 C ATOM 887 CG ARG A 66 -1.410 -4.385 -8.921 1.00 0.00 C ATOM 888 CD ARG A 66 -1.300 -5.234 -10.178 1.00 0.00 C ATOM 889 NE ARG A 66 -2.599 -5.664 -10.687 1.00 0.00 N ATOM 890 CZ ARG A 66 -2.753 -6.654 -11.564 1.00 0.00 C ATOM 891 NH1 ARG A 66 -1.696 -7.335 -11.994 1.00 0.00 N ATOM 892 NH2 ARG A 66 -3.961 -6.970 -12.008 1.00 0.00 N ATOM 0 H ARG A 66 0.240 -6.153 -7.494 1.00 0.00 H new ATOM 0 HA ARG A 66 1.576 -4.596 -9.570 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.178 -3.240 -7.592 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.083 -2.892 -9.290 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.721 -5.012 -8.086 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -2.185 -3.631 -9.059 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.783 -4.665 -10.951 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.690 -6.112 -9.966 1.00 0.00 H new ATOM 0 HE ARG A 66 -3.433 -5.180 -10.353 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.764 -7.100 -11.652 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.816 -8.093 -12.666 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.777 -6.454 -11.678 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.075 -7.729 -12.680 1.00 0.00 H new ATOM 906 N CYS A 67 2.953 -3.183 -8.006 1.00 0.00 N ATOM 907 CA CYS A 67 3.951 -2.565 -7.157 1.00 0.00 C ATOM 908 C CYS A 67 3.293 -1.797 -6.028 1.00 0.00 C ATOM 909 O CYS A 67 2.134 -1.399 -6.129 1.00 0.00 O ATOM 910 CB CYS A 67 4.827 -1.638 -7.984 1.00 0.00 C ATOM 911 SG CYS A 67 6.276 -0.980 -7.089 1.00 0.00 S ATOM 0 H CYS A 67 2.963 -2.849 -8.970 1.00 0.00 H new ATOM 0 HA CYS A 67 4.571 -3.348 -6.720 1.00 0.00 H new ATOM 0 HB2 CYS A 67 5.173 -2.175 -8.867 1.00 0.00 H new ATOM 0 HB3 CYS A 67 4.222 -0.803 -8.336 1.00 0.00 H new ATOM 916 N ALA A 68 4.027 -1.609 -4.942 1.00 0.00 N ATOM 917 CA ALA A 68 3.483 -0.914 -3.795 1.00 0.00 C ATOM 918 C ALA A 68 4.571 -0.315 -2.885 1.00 0.00 C ATOM 919 O ALA A 68 5.009 0.819 -3.082 1.00 0.00 O ATOM 920 CB ALA A 68 2.588 -1.894 -3.042 1.00 0.00 C ATOM 0 H ALA A 68 4.991 -1.926 -4.835 1.00 0.00 H new ATOM 0 HA ALA A 68 2.903 -0.057 -4.136 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.161 -1.400 -2.169 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.785 -2.231 -3.698 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.178 -2.752 -2.721 1.00 0.00 H new ATOM 926 N ALA A 69 4.948 -1.072 -1.868 1.00 0.00 N ATOM 927 CA ALA A 69 5.942 -0.667 -0.882 1.00 0.00 C ATOM 928 C ALA A 69 7.360 -0.703 -1.428 1.00 0.00 C ATOM 929 O ALA A 69 7.556 -0.889 -2.627 1.00 0.00 O ATOM 930 CB ALA A 69 5.847 -1.560 0.332 1.00 0.00 C ATOM 0 H ALA A 69 4.566 -2.003 -1.700 1.00 0.00 H new ATOM 0 HA ALA A 69 5.724 0.367 -0.614 1.00 0.00 H new ATOM 0 HB1 ALA A 69 6.591 -1.255 1.067 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.851 -1.477 0.768 1.00 0.00 H new ATOM 0 HB3 ALA A 69 6.030 -2.594 0.038 1.00 0.00 H new ATOM 936 N ALA A 70 8.357 -0.522 -0.533 1.00 0.00 N ATOM 937 CA ALA A 70 9.756 -0.556 -0.950 1.00 0.00 C ATOM 938 C ALA A 70 9.966 -1.729 -1.854 1.00 0.00 C ATOM 939 O ALA A 70 10.232 -2.827 -1.376 1.00 0.00 O ATOM 940 CB ALA A 70 10.704 -0.715 0.225 1.00 0.00 C ATOM 0 H ALA A 70 8.212 -0.355 0.463 1.00 0.00 H new ATOM 0 HA ALA A 70 9.967 0.390 -1.448 1.00 0.00 H new ATOM 0 HB1 ALA A 70 11.732 -0.735 -0.137 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.577 0.123 0.911 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.485 -1.647 0.746 1.00 0.00 H new ATOM 946 N GLY A 71 9.785 -1.538 -3.140 1.00 0.00 N ATOM 947 CA GLY A 71 9.921 -2.652 -4.019 1.00 0.00 C ATOM 948 C GLY A 71 9.006 -3.770 -3.591 1.00 0.00 C ATOM 949 O GLY A 71 9.453 -4.859 -3.243 1.00 0.00 O ATOM 0 H GLY A 71 9.551 -0.648 -3.581 1.00 0.00 H new ATOM 0 HA2 GLY A 71 9.685 -2.350 -5.039 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.954 -2.999 -4.020 1.00 0.00 H new ATOM 953 N ILE A 72 7.720 -3.502 -3.639 1.00 0.00 N ATOM 954 CA ILE A 72 6.729 -4.479 -3.281 1.00 0.00 C ATOM 955 C ILE A 72 5.701 -4.539 -4.377 1.00 0.00 C ATOM 956 O ILE A 72 5.401 -3.542 -5.020 1.00 0.00 O ATOM 957 CB ILE A 72 6.042 -4.194 -1.916 1.00 0.00 C ATOM 958 CG1 ILE A 72 6.949 -4.637 -0.759 1.00 0.00 C ATOM 959 CG2 ILE A 72 4.677 -4.884 -1.806 1.00 0.00 C ATOM 960 CD1 ILE A 72 6.787 -6.088 -0.344 1.00 0.00 C ATOM 0 H ILE A 72 7.337 -2.601 -3.927 1.00 0.00 H new ATOM 0 HA ILE A 72 7.236 -5.437 -3.165 1.00 0.00 H new ATOM 0 HB ILE A 72 5.876 -3.119 -1.854 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.987 -4.469 -1.045 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.749 -4.002 0.104 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.232 -4.658 -0.837 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.022 -4.523 -2.599 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.805 -5.962 -1.904 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.467 -6.309 0.479 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.760 -6.262 -0.023 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.017 -6.736 -1.190 1.00 0.00 H new ATOM 972 N CYS A 73 5.186 -5.715 -4.585 1.00 0.00 N ATOM 973 CA CYS A 73 4.204 -5.952 -5.587 1.00 0.00 C ATOM 974 C CYS A 73 3.154 -6.829 -4.942 1.00 0.00 C ATOM 975 O CYS A 73 3.400 -7.997 -4.628 1.00 0.00 O ATOM 976 CB CYS A 73 4.863 -6.579 -6.820 1.00 0.00 C ATOM 977 SG CYS A 73 4.074 -6.223 -8.421 1.00 0.00 S ATOM 0 H CYS A 73 5.444 -6.545 -4.052 1.00 0.00 H new ATOM 0 HA CYS A 73 3.731 -5.039 -5.949 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.898 -6.240 -6.865 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.888 -7.660 -6.683 1.00 0.00 H new ATOM 982 N CYS A 74 2.036 -6.211 -4.616 1.00 0.00 N ATOM 983 CA CYS A 74 0.996 -6.888 -3.874 1.00 0.00 C ATOM 984 C CYS A 74 -0.042 -7.619 -4.716 1.00 0.00 C ATOM 985 O CYS A 74 -0.244 -7.341 -5.898 1.00 0.00 O ATOM 986 CB CYS A 74 0.332 -5.886 -2.943 1.00 0.00 C ATOM 987 SG CYS A 74 -0.261 -6.612 -1.390 1.00 0.00 S ATOM 0 H CYS A 74 1.826 -5.242 -4.854 1.00 0.00 H new ATOM 0 HA CYS A 74 1.487 -7.685 -3.316 1.00 0.00 H new ATOM 0 HB2 CYS A 74 1.042 -5.091 -2.714 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -0.508 -5.424 -3.461 1.00 0.00 H new ATOM 992 N SER A 75 -0.698 -8.565 -4.042 1.00 0.00 N ATOM 993 CA SER A 75 -1.734 -9.396 -4.611 1.00 0.00 C ATOM 994 C SER A 75 -2.986 -9.333 -3.731 1.00 0.00 C ATOM 995 O SER A 75 -3.000 -8.624 -2.725 1.00 0.00 O ATOM 996 CB SER A 75 -1.242 -10.841 -4.742 1.00 0.00 C ATOM 997 OG SER A 75 0.099 -10.885 -5.197 1.00 0.00 O ATOM 0 H SER A 75 -0.511 -8.771 -3.061 1.00 0.00 H new ATOM 0 HA SER A 75 -1.983 -9.028 -5.606 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.318 -11.343 -3.778 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.883 -11.385 -5.436 1.00 0.00 H new ATOM 0 HG SER A 75 0.113 -10.872 -6.177 1.00 0.00 H new ATOM 1003 N PRO A 76 -4.060 -10.058 -4.092 1.00 0.00 N ATOM 1004 CA PRO A 76 -5.308 -10.050 -3.320 1.00 0.00 C ATOM 1005 C PRO A 76 -5.184 -10.795 -1.990 1.00 0.00 C ATOM 1006 O PRO A 76 -6.078 -10.724 -1.147 1.00 0.00 O ATOM 1007 CB PRO A 76 -6.302 -10.792 -4.226 1.00 0.00 C ATOM 1008 CG PRO A 76 -5.636 -10.895 -5.558 1.00 0.00 C ATOM 1009 CD PRO A 76 -4.164 -10.916 -5.278 1.00 0.00 C ATOM 0 HA PRO A 76 -5.604 -9.033 -3.063 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -6.534 -11.779 -3.827 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -7.244 -10.249 -4.300 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.947 -11.799 -6.082 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.901 -10.050 -6.194 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.801 -11.925 -5.083 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.585 -10.525 -6.115 1.00 0.00 H new ATOM 1017 N ASP A 77 -4.078 -11.508 -1.805 1.00 0.00 N ATOM 1018 CA ASP A 77 -3.855 -12.261 -0.571 1.00 0.00 C ATOM 1019 C ASP A 77 -2.795 -11.592 0.304 1.00 0.00 C ATOM 1020 O ASP A 77 -2.866 -11.649 1.532 1.00 0.00 O ATOM 1021 CB ASP A 77 -3.431 -13.695 -0.892 1.00 0.00 C ATOM 1022 CG ASP A 77 -4.420 -14.718 -0.368 1.00 0.00 C ATOM 1023 OD1 ASP A 77 -4.848 -14.587 0.798 1.00 0.00 O ATOM 1024 OD2 ASP A 77 -4.767 -15.650 -1.124 1.00 0.00 O ATOM 0 H ASP A 77 -3.324 -11.582 -2.488 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.794 -12.278 -0.019 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.331 -13.809 -1.971 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -2.449 -13.887 -0.459 1.00 0.00 H new ATOM 1029 N GLY A 78 -1.814 -10.961 -0.332 1.00 0.00 N ATOM 1030 CA GLY A 78 -0.761 -10.298 0.400 1.00 0.00 C ATOM 1031 C GLY A 78 0.320 -9.751 -0.509 1.00 0.00 C ATOM 1032 O GLY A 78 0.334 -10.039 -1.707 1.00 0.00 O ATOM 0 H GLY A 78 -1.733 -10.899 -1.347 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.187 -9.483 0.985 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.317 -10.999 1.107 1.00 0.00 H new ATOM 1036 N CYS A 79 1.223 -8.949 0.047 1.00 0.00 N ATOM 1037 CA CYS A 79 2.293 -8.373 -0.744 1.00 0.00 C ATOM 1038 C CYS A 79 3.579 -9.181 -0.643 1.00 0.00 C ATOM 1039 O CYS A 79 3.742 -10.019 0.244 1.00 0.00 O ATOM 1040 CB CYS A 79 2.570 -6.933 -0.316 1.00 0.00 C ATOM 1041 SG CYS A 79 1.081 -5.917 -0.044 1.00 0.00 S ATOM 0 H CYS A 79 1.232 -8.688 1.033 1.00 0.00 H new ATOM 0 HA CYS A 79 1.958 -8.390 -1.781 1.00 0.00 H new ATOM 0 HB2 CYS A 79 3.155 -6.948 0.603 1.00 0.00 H new ATOM 0 HB3 CYS A 79 3.185 -6.454 -1.078 1.00 0.00 H new ATOM 1046 N GLU A 80 4.499 -8.890 -1.556 1.00 0.00 N ATOM 1047 CA GLU A 80 5.791 -9.542 -1.593 1.00 0.00 C ATOM 1048 C GLU A 80 6.823 -8.603 -2.208 1.00 0.00 C ATOM 1049 O GLU A 80 6.517 -7.881 -3.158 1.00 0.00 O ATOM 1050 CB GLU A 80 5.716 -10.853 -2.380 1.00 0.00 C ATOM 1051 CG GLU A 80 5.462 -10.668 -3.868 1.00 0.00 C ATOM 1052 CD GLU A 80 6.411 -11.481 -4.726 1.00 0.00 C ATOM 1053 OE1 GLU A 80 7.635 -11.419 -4.481 1.00 0.00 O ATOM 1054 OE2 GLU A 80 5.932 -12.182 -5.642 1.00 0.00 O ATOM 0 H GLU A 80 4.364 -8.194 -2.289 1.00 0.00 H new ATOM 0 HA GLU A 80 6.093 -9.782 -0.574 1.00 0.00 H new ATOM 0 HB2 GLU A 80 6.650 -11.399 -2.246 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.923 -11.472 -1.961 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.435 -10.955 -4.096 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.562 -9.613 -4.122 1.00 0.00 H new ATOM 1061 N GLU A 81 8.040 -8.596 -1.668 1.00 0.00 N ATOM 1062 CA GLU A 81 9.075 -7.728 -2.177 1.00 0.00 C ATOM 1063 C GLU A 81 9.328 -8.026 -3.640 1.00 0.00 C ATOM 1064 O GLU A 81 9.716 -9.134 -4.005 1.00 0.00 O ATOM 1065 CB GLU A 81 10.347 -7.888 -1.353 1.00 0.00 C ATOM 1066 CG GLU A 81 10.646 -9.312 -0.960 1.00 0.00 C ATOM 1067 CD GLU A 81 10.825 -9.486 0.537 1.00 0.00 C ATOM 1068 OE1 GLU A 81 11.582 -8.697 1.141 1.00 0.00 O ATOM 1069 OE2 GLU A 81 10.209 -10.413 1.105 1.00 0.00 O ATOM 0 H GLU A 81 8.323 -9.182 -0.883 1.00 0.00 H new ATOM 0 HA GLU A 81 8.748 -6.692 -2.093 1.00 0.00 H new ATOM 0 HB2 GLU A 81 11.189 -7.494 -1.923 1.00 0.00 H new ATOM 0 HB3 GLU A 81 10.262 -7.283 -0.450 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.835 -9.956 -1.301 1.00 0.00 H new ATOM 0 HG3 GLU A 81 11.551 -9.642 -1.470 1.00 0.00 H new ATOM 1076 N ASP A 82 9.073 -7.031 -4.475 1.00 0.00 N ATOM 1077 CA ASP A 82 9.230 -7.178 -5.895 1.00 0.00 C ATOM 1078 C ASP A 82 10.557 -6.599 -6.385 1.00 0.00 C ATOM 1079 O ASP A 82 10.766 -5.387 -6.403 1.00 0.00 O ATOM 1080 CB ASP A 82 8.044 -6.526 -6.608 1.00 0.00 C ATOM 1081 CG ASP A 82 7.929 -5.052 -6.325 1.00 0.00 C ATOM 1082 OD1 ASP A 82 8.848 -4.502 -5.701 1.00 0.00 O ATOM 1083 OD2 ASP A 82 6.925 -4.441 -6.748 1.00 0.00 O ATOM 0 H ASP A 82 8.754 -6.108 -4.180 1.00 0.00 H new ATOM 0 HA ASP A 82 9.249 -8.242 -6.132 1.00 0.00 H new ATOM 0 HB2 ASP A 82 8.144 -6.678 -7.683 1.00 0.00 H new ATOM 0 HB3 ASP A 82 7.124 -7.023 -6.301 1.00 0.00 H new ATOM 1088 N PRO A 83 11.473 -7.487 -6.795 1.00 0.00 N ATOM 1089 CA PRO A 83 12.778 -7.117 -7.312 1.00 0.00 C ATOM 1090 C PRO A 83 12.619 -6.202 -8.495 1.00 0.00 C ATOM 1091 O PRO A 83 13.541 -5.522 -8.932 1.00 0.00 O ATOM 1092 CB PRO A 83 13.389 -8.458 -7.727 1.00 0.00 C ATOM 1093 CG PRO A 83 12.678 -9.452 -6.889 1.00 0.00 C ATOM 1094 CD PRO A 83 11.283 -8.921 -6.788 1.00 0.00 C ATOM 0 HA PRO A 83 13.398 -6.582 -6.593 1.00 0.00 H new ATOM 0 HB2 PRO A 83 13.240 -8.652 -8.789 1.00 0.00 H new ATOM 0 HB3 PRO A 83 14.464 -8.480 -7.546 1.00 0.00 H new ATOM 0 HG2 PRO A 83 12.695 -10.442 -7.346 1.00 0.00 H new ATOM 0 HG3 PRO A 83 13.140 -9.547 -5.906 1.00 0.00 H new ATOM 0 HD2 PRO A 83 10.666 -9.249 -7.624 1.00 0.00 H new ATOM 0 HD3 PRO A 83 10.789 -9.257 -5.876 1.00 0.00 H new ATOM 1102 N ALA A 84 11.412 -6.183 -8.984 1.00 0.00 N ATOM 1103 CA ALA A 84 11.046 -5.356 -10.072 1.00 0.00 C ATOM 1104 C ALA A 84 10.957 -3.909 -9.625 1.00 0.00 C ATOM 1105 O ALA A 84 11.116 -2.986 -10.425 1.00 0.00 O ATOM 1106 CB ALA A 84 9.711 -5.836 -10.585 1.00 0.00 C ATOM 0 H ALA A 84 10.649 -6.756 -8.623 1.00 0.00 H new ATOM 0 HA ALA A 84 11.794 -5.412 -10.863 1.00 0.00 H new ATOM 0 HB1 ALA A 84 9.401 -5.217 -11.427 1.00 0.00 H new ATOM 0 HB2 ALA A 84 9.797 -6.873 -10.910 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.969 -5.766 -9.790 1.00 0.00 H new ATOM 1112 N CYS A 85 10.621 -3.721 -8.351 1.00 0.00 N ATOM 1113 CA CYS A 85 10.425 -2.391 -7.824 1.00 0.00 C ATOM 1114 C CYS A 85 11.472 -1.852 -6.811 1.00 0.00 C ATOM 1115 O CYS A 85 11.591 -0.629 -6.737 1.00 0.00 O ATOM 1116 CB CYS A 85 9.009 -2.258 -7.260 1.00 0.00 C ATOM 1117 SG CYS A 85 7.851 -1.333 -8.322 1.00 0.00 S ATOM 0 H CYS A 85 10.482 -4.473 -7.676 1.00 0.00 H new ATOM 0 HA CYS A 85 10.578 -1.747 -8.690 1.00 0.00 H new ATOM 0 HB2 CYS A 85 8.605 -3.256 -7.088 1.00 0.00 H new ATOM 0 HB3 CYS A 85 9.064 -1.765 -6.289 1.00 0.00 H new ATOM 1122 N ASP A 86 12.227 -2.663 -6.002 1.00 0.00 N ATOM 1123 CA ASP A 86 13.165 -1.972 -5.051 1.00 0.00 C ATOM 1124 C ASP A 86 13.997 -2.748 -3.982 1.00 0.00 C ATOM 1125 O ASP A 86 15.001 -2.202 -3.526 1.00 0.00 O ATOM 1126 CB ASP A 86 12.343 -1.012 -4.204 1.00 0.00 C ATOM 1127 CG ASP A 86 13.148 0.157 -3.673 1.00 0.00 C ATOM 1128 OD1 ASP A 86 14.035 -0.069 -2.824 1.00 0.00 O ATOM 1129 OD2 ASP A 86 12.887 1.301 -4.102 1.00 0.00 O ATOM 0 H ASP A 86 12.216 -3.683 -5.981 1.00 0.00 H new ATOM 0 HA ASP A 86 13.900 -1.593 -5.761 1.00 0.00 H new ATOM 0 HB2 ASP A 86 11.513 -0.632 -4.800 1.00 0.00 H new ATOM 0 HB3 ASP A 86 11.910 -1.557 -3.365 1.00 0.00 H new ATOM 1134 N PRO A 87 13.574 -3.899 -3.434 1.00 0.00 N ATOM 1135 CA PRO A 87 14.263 -4.541 -2.310 1.00 0.00 C ATOM 1136 C PRO A 87 15.024 -5.759 -2.719 1.00 0.00 C ATOM 1137 O PRO A 87 16.252 -5.766 -2.814 1.00 0.00 O ATOM 1138 CB PRO A 87 13.072 -4.937 -1.424 1.00 0.00 C ATOM 1139 CG PRO A 87 11.862 -4.735 -2.290 1.00 0.00 C ATOM 1140 CD PRO A 87 12.373 -4.638 -3.699 1.00 0.00 C ATOM 0 HA PRO A 87 15.007 -3.898 -1.841 1.00 0.00 H new ATOM 0 HB2 PRO A 87 13.153 -5.972 -1.093 1.00 0.00 H new ATOM 0 HB3 PRO A 87 13.024 -4.319 -0.527 1.00 0.00 H new ATOM 0 HG2 PRO A 87 11.164 -5.565 -2.185 1.00 0.00 H new ATOM 0 HG3 PRO A 87 11.326 -3.829 -2.006 1.00 0.00 H new ATOM 0 HD2 PRO A 87 12.565 -5.612 -4.148 1.00 0.00 H new ATOM 0 HD3 PRO A 87 11.688 -4.110 -4.363 1.00 0.00 H new ATOM 1148 N GLU A 88 14.252 -6.769 -3.034 1.00 0.00 N ATOM 1149 CA GLU A 88 14.787 -8.000 -3.533 1.00 0.00 C ATOM 1150 C GLU A 88 15.316 -7.680 -4.928 1.00 0.00 C ATOM 1151 O GLU A 88 15.959 -8.487 -5.599 1.00 0.00 O ATOM 1152 CB GLU A 88 13.678 -9.062 -3.576 1.00 0.00 C ATOM 1153 CG GLU A 88 14.191 -10.480 -3.752 1.00 0.00 C ATOM 1154 CD GLU A 88 13.090 -11.450 -4.132 1.00 0.00 C ATOM 1155 OE1 GLU A 88 11.963 -11.302 -3.613 1.00 0.00 O ATOM 1156 OE2 GLU A 88 13.354 -12.358 -4.948 1.00 0.00 O ATOM 0 H GLU A 88 13.236 -6.756 -2.950 1.00 0.00 H new ATOM 0 HA GLU A 88 15.581 -8.401 -2.903 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.100 -9.007 -2.654 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.996 -8.829 -4.394 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.963 -10.491 -4.521 1.00 0.00 H new ATOM 0 HG3 GLU A 88 14.660 -10.812 -2.825 1.00 0.00 H new ATOM 1163 N ALA A 89 15.006 -6.440 -5.309 1.00 0.00 N ATOM 1164 CA ALA A 89 15.364 -5.820 -6.556 1.00 0.00 C ATOM 1165 C ALA A 89 16.821 -5.393 -6.597 1.00 0.00 C ATOM 1166 O ALA A 89 17.670 -5.905 -5.869 1.00 0.00 O ATOM 1167 CB ALA A 89 14.487 -4.588 -6.696 1.00 0.00 C ATOM 0 H ALA A 89 14.466 -5.816 -4.709 1.00 0.00 H new ATOM 0 HA ALA A 89 15.220 -6.536 -7.366 1.00 0.00 H new ATOM 0 HB1 ALA A 89 14.721 -4.079 -7.631 1.00 0.00 H new ATOM 0 HB2 ALA A 89 13.439 -4.886 -6.697 1.00 0.00 H new ATOM 0 HB3 ALA A 89 14.671 -3.913 -5.860 1.00 0.00 H new ATOM 1173 N ALA A 90 17.062 -4.400 -7.436 1.00 0.00 N ATOM 1174 CA ALA A 90 18.355 -3.790 -7.589 1.00 0.00 C ATOM 1175 C ALA A 90 18.660 -3.027 -6.319 1.00 0.00 C ATOM 1176 O ALA A 90 17.830 -3.005 -5.411 1.00 0.00 O ATOM 1177 CB ALA A 90 18.326 -2.824 -8.758 1.00 0.00 C ATOM 0 H ALA A 90 16.345 -3.994 -8.037 1.00 0.00 H new ATOM 0 HA ALA A 90 19.114 -4.550 -7.775 1.00 0.00 H new ATOM 0 HB1 ALA A 90 19.307 -2.362 -8.873 1.00 0.00 H new ATOM 0 HB2 ALA A 90 18.070 -3.364 -9.670 1.00 0.00 H new ATOM 0 HB3 ALA A 90 17.580 -2.051 -8.573 1.00 0.00 H new ATOM 1183 N PHE A 91 19.802 -2.359 -6.250 1.00 0.00 N ATOM 1184 CA PHE A 91 20.095 -1.573 -5.063 1.00 0.00 C ATOM 1185 C PHE A 91 19.231 -0.319 -5.127 1.00 0.00 C ATOM 1186 O PHE A 91 19.728 0.805 -5.204 1.00 0.00 O ATOM 1187 CB PHE A 91 21.579 -1.197 -5.011 1.00 0.00 C ATOM 1188 CG PHE A 91 22.499 -2.384 -5.007 1.00 0.00 C ATOM 1189 CD1 PHE A 91 22.543 -3.236 -3.917 1.00 0.00 C ATOM 1190 CD2 PHE A 91 23.315 -2.649 -6.095 1.00 0.00 C ATOM 1191 CE1 PHE A 91 23.385 -4.331 -3.911 1.00 0.00 C ATOM 1192 CE2 PHE A 91 24.158 -3.743 -6.095 1.00 0.00 C ATOM 1193 CZ PHE A 91 24.193 -4.586 -5.001 1.00 0.00 C ATOM 0 H PHE A 91 20.519 -2.344 -6.976 1.00 0.00 H new ATOM 0 HA PHE A 91 19.876 -2.148 -4.163 1.00 0.00 H new ATOM 0 HB2 PHE A 91 21.816 -0.567 -5.868 1.00 0.00 H new ATOM 0 HB3 PHE A 91 21.763 -0.602 -4.117 1.00 0.00 H new ATOM 0 HD1 PHE A 91 21.912 -3.043 -3.062 1.00 0.00 H new ATOM 0 HD2 PHE A 91 23.292 -1.993 -6.953 1.00 0.00 H new ATOM 0 HE1 PHE A 91 23.411 -4.987 -3.054 1.00 0.00 H new ATOM 0 HE2 PHE A 91 24.789 -3.939 -6.949 1.00 0.00 H new ATOM 0 HZ PHE A 91 24.851 -5.442 -4.998 1.00 0.00 H new ATOM 1203 N SER A 92 17.918 -0.551 -5.114 1.00 0.00 N ATOM 1204 CA SER A 92 16.924 0.504 -5.198 1.00 0.00 C ATOM 1205 C SER A 92 16.404 0.886 -3.814 1.00 0.00 C ATOM 1206 O SER A 92 16.648 0.120 -2.859 1.00 0.00 O ATOM 1207 CB SER A 92 15.774 0.040 -6.110 1.00 0.00 C ATOM 1208 OG SER A 92 14.572 0.726 -5.810 1.00 0.00 O ATOM 1209 OXT SER A 92 15.758 1.949 -3.699 1.00 0.00 O ATOM 0 H SER A 92 17.518 -1.486 -5.044 1.00 0.00 H new ATOM 0 HA SER A 92 17.386 1.395 -5.624 1.00 0.00 H new ATOM 0 HB2 SER A 92 16.042 0.210 -7.153 1.00 0.00 H new ATOM 0 HB3 SER A 92 15.623 -1.033 -5.991 1.00 0.00 H new ATOM 0 HG SER A 92 14.743 1.399 -5.118 1.00 0.00 H new TER 1215 SER A 92