USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 953 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 101 ASN : amide:sc= 0.903 K(o=0.95,f=-4.9!) USER MOD Set 1.2: A 104 ASN : amide:sc= 0.0425 K(o=0.95,f=-4.6!) USER MOD Set 2.1: A 35 SER OG : rot 72:sc= 1.01 USER MOD Set 2.2: A 37 MET CE :methyl -126:sc= -0.0212 (180deg=0) USER MOD Set 3.1: A 18 HIS : no HD1:sc= -0.297 X(o=-0.3,f=-0.024) USER MOD Set 3.2: A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN :FLIP amide:sc= -1.67! C(o=-2.6!,f=-1.7!) USER MOD Single : A 14 CYS SG : rot 38:sc= -3.46! USER MOD Single : A 22 MET CE :methyl -131:sc= -0.498 (180deg=-2.14) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 158:sc= 0.67 (180deg=-0.598!) USER MOD Single : A 29 LYS NZ :NH3+ -165:sc= 1.18 (180deg=1.09) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot -101:sc= 1.3 USER MOD Single : A 39 THR OG1 : rot 24:sc= -1.14! USER MOD Single : A 40 SER OG : rot -170:sc= -0.96 USER MOD Single : A 43 ASN : amide:sc= 0.0476 X(o=0.048,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0.118 USER MOD Single : A 51 GLN :FLIP amide:sc= 0 F(o=-0.63,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.023) USER MOD Single : A 57 LYS NZ :NH3+ -116:sc= 1.13 (180deg=0.125) USER MOD Single : A 59 GLN : amide:sc= -0.453! X(o=-0.45!,f=-0.32) USER MOD Single : A 60 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0641) USER MOD Single : A 66 SER OG : rot 180:sc= 0.0992 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 CYS SG : rot 82:sc= -2.33 USER MOD Single : A 80 HIS : no HE2:sc= 0.467 K(o=0.47,f=-3.9!) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot -160:sc= -0.586 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 MET CE :methyl -167:sc= 0 (180deg=-0.0609) USER MOD Single : A 108 LYS NZ :NH3+ 174:sc= 1.14 (180deg=1.06) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN :FLIP amide:sc= -1.23 F(o=-2.3!,f=-1.2) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 168:sc= -0.0112 (180deg=-0.154) USER MOD Single : A 120 LYS NZ :NH3+ -169:sc=-0.000338 (180deg=-0.117) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.563 13.682 4.360 1.00 0.00 N ATOM 2 CA MET A 1 -17.600 15.158 4.253 1.00 0.00 C ATOM 3 C MET A 1 -16.270 15.670 3.738 1.00 0.00 C ATOM 4 O MET A 1 -15.332 15.868 4.510 1.00 0.00 O ATOM 5 CB MET A 1 -17.923 15.792 5.610 1.00 0.00 C ATOM 6 CG MET A 1 -17.967 17.316 5.593 1.00 0.00 C ATOM 7 SD MET A 1 -19.325 17.968 4.602 1.00 0.00 S ATOM 8 CE MET A 1 -19.211 19.720 4.962 1.00 0.00 C ATOM 0 H1 MET A 1 -18.478 13.337 4.714 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.376 13.271 3.423 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.809 13.400 5.018 1.00 0.00 H new ATOM 0 HA MET A 1 -18.386 15.437 3.551 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.886 15.416 5.954 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.177 15.469 6.336 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.061 17.683 6.615 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.023 17.697 5.203 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.990 20.255 4.418 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.340 19.881 6.032 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.234 20.092 4.655 1.00 0.00 H new ATOM 18 N VAL A 2 -16.209 15.889 2.423 1.00 0.00 N ATOM 19 CA VAL A 2 -15.003 16.373 1.760 1.00 0.00 C ATOM 20 C VAL A 2 -13.798 15.503 2.137 1.00 0.00 C ATOM 21 O VAL A 2 -13.917 14.283 2.257 1.00 0.00 O ATOM 22 CB VAL A 2 -14.712 17.860 2.098 1.00 0.00 C ATOM 23 CG1 VAL A 2 -13.974 18.539 0.949 1.00 0.00 C ATOM 24 CG2 VAL A 2 -15.993 18.623 2.424 1.00 0.00 C ATOM 0 H VAL A 2 -16.995 15.735 1.791 1.00 0.00 H new ATOM 0 HA VAL A 2 -15.175 16.304 0.686 1.00 0.00 H new ATOM 0 HB VAL A 2 -14.077 17.875 2.984 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -13.780 19.580 1.206 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -13.029 18.027 0.771 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -14.586 18.496 0.048 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -15.750 19.660 2.655 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -16.664 18.590 1.566 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -16.481 18.164 3.284 1.00 0.00 H new ATOM 34 N ASP A 3 -12.651 16.149 2.308 1.00 0.00 N ATOM 35 CA ASP A 3 -11.391 15.483 2.674 1.00 0.00 C ATOM 36 C ASP A 3 -11.006 14.391 1.680 1.00 0.00 C ATOM 37 O ASP A 3 -10.199 13.517 1.991 1.00 0.00 O ATOM 38 CB ASP A 3 -11.470 14.892 4.085 1.00 0.00 C ATOM 39 CG ASP A 3 -11.285 15.933 5.172 1.00 0.00 C ATOM 40 OD1 ASP A 3 -10.596 16.946 4.923 1.00 0.00 O ATOM 41 OD2 ASP A 3 -11.834 15.749 6.281 1.00 0.00 O ATOM 0 H ASP A 3 -12.561 17.159 2.197 1.00 0.00 H new ATOM 0 HA ASP A 3 -10.616 16.250 2.649 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -12.436 14.405 4.216 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -10.707 14.121 4.194 1.00 0.00 H new ATOM 46 N LEU A 4 -11.543 14.487 0.471 1.00 0.00 N ATOM 47 CA LEU A 4 -11.290 13.505 -0.586 1.00 0.00 C ATOM 48 C LEU A 4 -9.829 13.509 -1.037 1.00 0.00 C ATOM 49 O LEU A 4 -9.402 12.627 -1.781 1.00 0.00 O ATOM 50 CB LEU A 4 -12.191 13.773 -1.796 1.00 0.00 C ATOM 51 CG LEU A 4 -11.989 15.134 -2.469 1.00 0.00 C ATOM 52 CD1 LEU A 4 -11.977 14.981 -3.979 1.00 0.00 C ATOM 53 CD2 LEU A 4 -13.077 16.111 -2.048 1.00 0.00 C ATOM 0 H LEU A 4 -12.166 15.245 0.191 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.515 12.525 -0.166 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -12.021 12.991 -2.536 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -13.231 13.692 -1.480 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.026 15.533 -2.149 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.833 15.957 -4.442 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.164 14.317 -4.271 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.926 14.559 -4.310 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -12.914 17.071 -2.538 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.051 15.717 -2.337 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -13.046 16.246 -0.967 1.00 0.00 H new ATOM 65 N GLU A 5 -9.068 14.502 -0.600 1.00 0.00 N ATOM 66 CA GLU A 5 -7.665 14.599 -0.975 1.00 0.00 C ATOM 67 C GLU A 5 -6.829 15.198 0.152 1.00 0.00 C ATOM 68 O GLU A 5 -5.723 15.686 -0.078 1.00 0.00 O ATOM 69 CB GLU A 5 -7.523 15.459 -2.231 1.00 0.00 C ATOM 70 CG GLU A 5 -8.151 16.836 -2.093 1.00 0.00 C ATOM 71 CD GLU A 5 -7.384 17.903 -2.839 1.00 0.00 C ATOM 72 OE1 GLU A 5 -7.736 18.197 -3.997 1.00 0.00 O ATOM 73 OE2 GLU A 5 -6.426 18.459 -2.265 1.00 0.00 O ATOM 0 H GLU A 5 -9.397 15.249 0.012 1.00 0.00 H new ATOM 0 HA GLU A 5 -7.299 13.592 -1.173 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -6.465 15.572 -2.467 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.984 14.940 -3.072 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -9.175 16.803 -2.465 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -8.204 17.103 -1.037 1.00 0.00 H new ATOM 80 N GLN A 6 -7.341 15.150 1.378 1.00 0.00 N ATOM 81 CA GLN A 6 -6.610 15.726 2.505 1.00 0.00 C ATOM 82 C GLN A 6 -6.273 14.702 3.568 1.00 0.00 C ATOM 83 O GLN A 6 -5.435 14.944 4.436 1.00 0.00 O ATOM 84 CB GLN A 6 -7.384 16.893 3.098 1.00 0.00 C ATOM 85 CG GLN A 6 -7.135 18.174 2.331 1.00 0.00 C ATOM 86 CD GLN A 6 -5.678 18.595 2.383 1.00 0.00 C ATOM 87 OE1 GLN A 6 -4.847 17.951 1.577 1.00 0.00 O flip ATOM 88 NE2 GLN A 6 -5.300 19.475 3.155 1.00 0.00 N flip ATOM 0 H GLN A 6 -8.239 14.728 1.615 1.00 0.00 H new ATOM 0 HA GLN A 6 -5.659 16.092 2.117 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -8.450 16.665 3.090 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -7.095 17.030 4.140 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -7.436 18.039 1.292 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -7.757 18.969 2.742 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -5.973 19.947 3.759 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -4.314 19.733 3.191 1.00 0.00 H new ATOM 97 N GLU A 7 -6.919 13.561 3.500 1.00 0.00 N ATOM 98 CA GLU A 7 -6.656 12.490 4.443 1.00 0.00 C ATOM 99 C GLU A 7 -5.796 11.448 3.767 1.00 0.00 C ATOM 100 O GLU A 7 -5.575 10.365 4.287 1.00 0.00 O ATOM 101 CB GLU A 7 -7.960 11.880 4.915 1.00 0.00 C ATOM 102 CG GLU A 7 -8.859 12.894 5.577 1.00 0.00 C ATOM 103 CD GLU A 7 -9.406 12.419 6.910 1.00 0.00 C ATOM 104 OE1 GLU A 7 -10.552 11.927 6.952 1.00 0.00 O ATOM 105 OE2 GLU A 7 -8.687 12.543 7.925 1.00 0.00 O ATOM 0 H GLU A 7 -7.632 13.347 2.802 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.132 12.883 5.314 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.480 11.437 4.066 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.748 11.073 5.616 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.304 13.820 5.727 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.690 13.125 4.911 1.00 0.00 H new ATOM 112 N PHE A 8 -5.275 11.834 2.615 1.00 0.00 N ATOM 113 CA PHE A 8 -4.452 10.986 1.796 1.00 0.00 C ATOM 114 C PHE A 8 -3.225 11.795 1.509 1.00 0.00 C ATOM 115 O PHE A 8 -3.008 12.251 0.389 1.00 0.00 O ATOM 116 CB PHE A 8 -5.145 10.614 0.478 1.00 0.00 C ATOM 117 CG PHE A 8 -6.609 10.288 0.586 1.00 0.00 C ATOM 118 CD1 PHE A 8 -7.542 11.278 0.855 1.00 0.00 C ATOM 119 CD2 PHE A 8 -7.057 8.995 0.380 1.00 0.00 C ATOM 120 CE1 PHE A 8 -8.888 10.983 0.918 1.00 0.00 C ATOM 121 CE2 PHE A 8 -8.405 8.697 0.448 1.00 0.00 C ATOM 122 CZ PHE A 8 -9.321 9.693 0.714 1.00 0.00 C ATOM 0 H PHE A 8 -5.420 12.764 2.223 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.236 10.047 2.305 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -5.026 11.442 -0.221 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.630 9.755 0.047 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.211 12.293 1.017 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -6.346 8.211 0.164 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.603 11.765 1.128 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -8.741 7.683 0.293 1.00 0.00 H new ATOM 0 HZ PHE A 8 -10.375 9.461 0.762 1.00 0.00 H new ATOM 132 N ALA A 9 -2.449 12.020 2.540 1.00 0.00 N ATOM 133 CA ALA A 9 -1.295 12.835 2.410 1.00 0.00 C ATOM 134 C ALA A 9 -0.197 12.377 3.341 1.00 0.00 C ATOM 135 O ALA A 9 -0.228 11.267 3.873 1.00 0.00 O ATOM 136 CB ALA A 9 -1.682 14.282 2.672 1.00 0.00 C ATOM 0 H ALA A 9 -2.607 11.644 3.475 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.902 12.750 1.397 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.802 14.917 2.575 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.436 14.594 1.949 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.086 14.374 3.680 1.00 0.00 H new ATOM 142 N LEU A 10 0.757 13.257 3.520 1.00 0.00 N ATOM 143 CA LEU A 10 1.943 13.006 4.328 1.00 0.00 C ATOM 144 C LEU A 10 1.625 12.523 5.739 1.00 0.00 C ATOM 145 O LEU A 10 1.211 13.310 6.591 1.00 0.00 O ATOM 146 CB LEU A 10 2.754 14.283 4.406 1.00 0.00 C ATOM 147 CG LEU A 10 3.757 14.496 3.268 1.00 0.00 C ATOM 148 CD1 LEU A 10 3.069 15.077 2.044 1.00 0.00 C ATOM 149 CD2 LEU A 10 4.893 15.399 3.718 1.00 0.00 C ATOM 0 H LEU A 10 0.738 14.188 3.104 1.00 0.00 H new ATOM 0 HA LEU A 10 2.502 12.205 3.844 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.067 15.129 4.425 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.296 14.292 5.352 1.00 0.00 H new ATOM 0 HG LEU A 10 4.174 13.526 2.997 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.801 15.220 1.249 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.292 14.392 1.704 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.620 16.037 2.300 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.595 15.538 2.896 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.491 16.366 4.020 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.409 14.941 4.562 1.00 0.00 H new ATOM 161 N GLY A 11 1.825 11.226 5.979 1.00 0.00 N ATOM 162 CA GLY A 11 1.574 10.664 7.290 1.00 0.00 C ATOM 163 C GLY A 11 0.107 10.672 7.629 1.00 0.00 C ATOM 164 O GLY A 11 -0.276 10.548 8.792 1.00 0.00 O ATOM 0 H GLY A 11 2.157 10.557 5.284 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.950 9.641 7.325 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.124 11.232 8.041 1.00 0.00 H new ATOM 168 N GLY A 12 -0.710 10.809 6.601 1.00 0.00 N ATOM 169 CA GLY A 12 -2.133 10.845 6.793 1.00 0.00 C ATOM 170 C GLY A 12 -2.687 9.479 7.089 1.00 0.00 C ATOM 171 O GLY A 12 -2.147 8.467 6.630 1.00 0.00 O ATOM 0 H GLY A 12 -0.406 10.896 5.631 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.373 11.521 7.614 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.611 11.246 5.899 1.00 0.00 H new ATOM 175 N ARG A 13 -3.749 9.442 7.866 1.00 0.00 N ATOM 176 CA ARG A 13 -4.375 8.189 8.212 1.00 0.00 C ATOM 177 C ARG A 13 -5.323 7.785 7.091 1.00 0.00 C ATOM 178 O ARG A 13 -6.216 8.543 6.707 1.00 0.00 O ATOM 179 CB ARG A 13 -5.101 8.298 9.565 1.00 0.00 C ATOM 180 CG ARG A 13 -6.427 9.035 9.516 1.00 0.00 C ATOM 181 CD ARG A 13 -6.319 10.477 9.984 1.00 0.00 C ATOM 182 NE ARG A 13 -7.613 11.147 9.916 1.00 0.00 N ATOM 183 CZ ARG A 13 -8.462 11.245 10.933 1.00 0.00 C ATOM 184 NH1 ARG A 13 -8.101 10.860 12.154 1.00 0.00 N ATOM 185 NH2 ARG A 13 -9.667 11.754 10.724 1.00 0.00 N ATOM 0 H ARG A 13 -4.195 10.266 8.269 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.616 7.415 8.324 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.273 7.293 9.951 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.446 8.804 10.274 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.810 9.017 8.495 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.152 8.510 10.138 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.945 10.504 11.007 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.596 11.010 9.366 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.884 11.569 9.028 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.166 10.486 12.315 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -8.759 10.939 12.929 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -9.934 12.065 9.790 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -10.328 11.834 11.497 1.00 0.00 H new ATOM 199 N CYS A 14 -5.104 6.615 6.527 1.00 0.00 N ATOM 200 CA CYS A 14 -5.939 6.150 5.446 1.00 0.00 C ATOM 201 C CYS A 14 -6.366 4.708 5.628 1.00 0.00 C ATOM 202 O CYS A 14 -5.889 3.991 6.510 1.00 0.00 O ATOM 203 CB CYS A 14 -5.190 6.284 4.125 1.00 0.00 C ATOM 204 SG CYS A 14 -5.603 7.774 3.197 1.00 0.00 S ATOM 0 H CYS A 14 -4.359 5.974 6.799 1.00 0.00 H new ATOM 0 HA CYS A 14 -6.837 6.767 5.443 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.118 6.278 4.324 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.405 5.412 3.507 1.00 0.00 H new ATOM 0 HG CYS A 14 -5.769 8.766 4.021 1.00 0.00 H new ATOM 210 N LEU A 15 -7.298 4.320 4.792 1.00 0.00 N ATOM 211 CA LEU A 15 -7.811 2.975 4.743 1.00 0.00 C ATOM 212 C LEU A 15 -7.544 2.495 3.346 1.00 0.00 C ATOM 213 O LEU A 15 -7.528 3.301 2.427 1.00 0.00 O ATOM 214 CB LEU A 15 -9.310 2.940 5.044 1.00 0.00 C ATOM 215 CG LEU A 15 -9.691 3.173 6.504 1.00 0.00 C ATOM 216 CD1 LEU A 15 -11.191 3.376 6.625 1.00 0.00 C ATOM 217 CD2 LEU A 15 -9.241 2.004 7.369 1.00 0.00 C ATOM 0 H LEU A 15 -7.730 4.946 4.112 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.334 2.343 5.492 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.804 3.695 4.432 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.703 1.972 4.734 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.185 4.072 6.856 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.453 3.541 7.670 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -11.490 4.242 6.035 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.709 2.490 6.257 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.522 2.189 8.406 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.720 1.089 7.021 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.159 1.896 7.300 1.00 0.00 H new ATOM 229 N ALA A 16 -7.299 1.232 3.150 1.00 0.00 N ATOM 230 CA ALA A 16 -7.040 0.769 1.807 1.00 0.00 C ATOM 231 C ALA A 16 -7.652 -0.590 1.621 1.00 0.00 C ATOM 232 O ALA A 16 -7.621 -1.423 2.524 1.00 0.00 O ATOM 233 CB ALA A 16 -5.549 0.790 1.494 1.00 0.00 C ATOM 0 H ALA A 16 -7.272 0.517 3.877 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.506 1.447 1.092 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.386 0.436 0.476 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.172 1.808 1.589 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.021 0.141 2.193 1.00 0.00 H new ATOM 239 N PHE A 17 -8.228 -0.805 0.461 1.00 0.00 N ATOM 240 CA PHE A 17 -8.895 -2.053 0.197 1.00 0.00 C ATOM 241 C PHE A 17 -7.925 -3.181 -0.097 1.00 0.00 C ATOM 242 O PHE A 17 -7.355 -3.281 -1.184 1.00 0.00 O ATOM 243 CB PHE A 17 -9.908 -1.896 -0.932 1.00 0.00 C ATOM 244 CG PHE A 17 -11.276 -1.557 -0.419 1.00 0.00 C ATOM 245 CD1 PHE A 17 -11.720 -0.245 -0.377 1.00 0.00 C ATOM 246 CD2 PHE A 17 -12.115 -2.560 0.033 1.00 0.00 C ATOM 247 CE1 PHE A 17 -12.979 0.059 0.107 1.00 0.00 C ATOM 248 CE2 PHE A 17 -13.374 -2.263 0.519 1.00 0.00 C ATOM 249 CZ PHE A 17 -13.807 -0.950 0.555 1.00 0.00 C ATOM 0 H PHE A 17 -8.247 -0.136 -0.308 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.427 -2.327 1.108 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.573 -1.114 -1.613 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -9.956 -2.821 -1.507 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -11.076 0.548 -0.726 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -11.782 -3.587 0.006 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -13.314 1.085 0.134 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -14.019 -3.055 0.870 1.00 0.00 H new ATOM 0 HZ PHE A 17 -14.791 -0.715 0.933 1.00 0.00 H new ATOM 259 N HIS A 18 -7.739 -4.013 0.909 1.00 0.00 N ATOM 260 CA HIS A 18 -6.907 -5.182 0.801 1.00 0.00 C ATOM 261 C HIS A 18 -7.843 -6.319 0.449 1.00 0.00 C ATOM 262 O HIS A 18 -8.484 -6.915 1.324 1.00 0.00 O ATOM 263 CB HIS A 18 -6.168 -5.456 2.117 1.00 0.00 C ATOM 264 CG HIS A 18 -5.024 -6.410 1.974 1.00 0.00 C ATOM 265 ND1 HIS A 18 -4.765 -7.370 2.923 1.00 0.00 N ATOM 266 CD2 HIS A 18 -4.108 -6.511 0.982 1.00 0.00 C ATOM 267 CE1 HIS A 18 -3.708 -8.032 2.486 1.00 0.00 C ATOM 268 NE2 HIS A 18 -3.275 -7.546 1.315 1.00 0.00 N ATOM 0 H HIS A 18 -8.166 -3.891 1.827 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.134 -5.055 0.043 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.796 -4.513 2.518 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.875 -5.855 2.844 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.046 -5.894 0.098 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -3.251 -8.860 3.007 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -2.478 -7.882 0.775 1.00 0.00 H new ATOM 276 N GLY A 19 -7.973 -6.562 -0.844 1.00 0.00 N ATOM 277 CA GLY A 19 -8.879 -7.577 -1.309 1.00 0.00 C ATOM 278 C GLY A 19 -10.303 -7.073 -1.214 1.00 0.00 C ATOM 279 O GLY A 19 -10.669 -6.109 -1.890 1.00 0.00 O ATOM 0 H GLY A 19 -7.464 -6.071 -1.579 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.645 -7.842 -2.340 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.763 -8.482 -0.713 1.00 0.00 H new ATOM 283 N PRO A 20 -11.129 -7.695 -0.375 1.00 0.00 N ATOM 284 CA PRO A 20 -12.507 -7.297 -0.190 1.00 0.00 C ATOM 285 C PRO A 20 -12.734 -6.372 1.006 1.00 0.00 C ATOM 286 O PRO A 20 -13.849 -5.878 1.196 1.00 0.00 O ATOM 287 CB PRO A 20 -13.214 -8.629 0.074 1.00 0.00 C ATOM 288 CG PRO A 20 -12.132 -9.637 0.361 1.00 0.00 C ATOM 289 CD PRO A 20 -10.826 -8.886 0.409 1.00 0.00 C ATOM 0 HA PRO A 20 -12.864 -6.734 -1.052 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -13.899 -8.544 0.918 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -13.807 -8.931 -0.789 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -12.319 -10.144 1.308 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -12.106 -10.405 -0.412 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.535 -8.639 1.430 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -10.008 -9.462 -0.024 1.00 0.00 H new ATOM 297 N LEU A 21 -11.704 -6.111 1.809 1.00 0.00 N ATOM 298 CA LEU A 21 -11.907 -5.282 2.993 1.00 0.00 C ATOM 299 C LEU A 21 -10.995 -4.065 3.065 1.00 0.00 C ATOM 300 O LEU A 21 -9.980 -3.980 2.388 1.00 0.00 O ATOM 301 CB LEU A 21 -11.747 -6.121 4.256 1.00 0.00 C ATOM 302 CG LEU A 21 -12.985 -6.932 4.635 1.00 0.00 C ATOM 303 CD1 LEU A 21 -12.878 -7.462 6.049 1.00 0.00 C ATOM 304 CD2 LEU A 21 -14.233 -6.086 4.496 1.00 0.00 C ATOM 0 H LEU A 21 -10.752 -6.449 1.669 1.00 0.00 H new ATOM 0 HA LEU A 21 -12.924 -4.897 2.915 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.908 -6.803 4.121 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.491 -5.462 5.086 1.00 0.00 H new ATOM 0 HG LEU A 21 -13.050 -7.780 3.954 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.773 -8.035 6.291 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -12.002 -8.105 6.131 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.782 -6.628 6.744 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -15.106 -6.678 4.770 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -14.161 -5.220 5.154 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -14.332 -5.750 3.464 1.00 0.00 H new ATOM 316 N MET A 22 -11.391 -3.133 3.921 1.00 0.00 N ATOM 317 CA MET A 22 -10.664 -1.901 4.157 1.00 0.00 C ATOM 318 C MET A 22 -9.699 -2.089 5.315 1.00 0.00 C ATOM 319 O MET A 22 -10.114 -2.418 6.428 1.00 0.00 O ATOM 320 CB MET A 22 -11.646 -0.775 4.499 1.00 0.00 C ATOM 321 CG MET A 22 -11.615 0.386 3.518 1.00 0.00 C ATOM 322 SD MET A 22 -12.854 1.649 3.885 1.00 0.00 S ATOM 323 CE MET A 22 -14.371 0.718 3.687 1.00 0.00 C ATOM 0 H MET A 22 -12.241 -3.217 4.478 1.00 0.00 H new ATOM 0 HA MET A 22 -10.109 -1.639 3.256 1.00 0.00 H new ATOM 0 HB2 MET A 22 -12.656 -1.184 4.532 1.00 0.00 H new ATOM 0 HB3 MET A 22 -11.421 -0.401 5.498 1.00 0.00 H new ATOM 0 HG2 MET A 22 -10.625 0.841 3.532 1.00 0.00 H new ATOM 0 HG3 MET A 22 -11.777 0.007 2.509 1.00 0.00 H new ATOM 0 HE1 MET A 22 -15.059 1.275 3.051 1.00 0.00 H new ATOM 0 HE2 MET A 22 -14.150 -0.245 3.226 1.00 0.00 H new ATOM 0 HE3 MET A 22 -14.829 0.556 4.663 1.00 0.00 H new ATOM 333 N TYR A 23 -8.419 -1.910 5.059 1.00 0.00 N ATOM 334 CA TYR A 23 -7.420 -2.055 6.097 1.00 0.00 C ATOM 335 C TYR A 23 -6.792 -0.711 6.415 1.00 0.00 C ATOM 336 O TYR A 23 -6.576 0.111 5.528 1.00 0.00 O ATOM 337 CB TYR A 23 -6.354 -3.069 5.686 1.00 0.00 C ATOM 338 CG TYR A 23 -6.720 -4.493 6.045 1.00 0.00 C ATOM 339 CD1 TYR A 23 -7.617 -5.219 5.270 1.00 0.00 C ATOM 340 CD2 TYR A 23 -6.182 -5.105 7.172 1.00 0.00 C ATOM 341 CE1 TYR A 23 -7.966 -6.512 5.606 1.00 0.00 C ATOM 342 CE2 TYR A 23 -6.525 -6.399 7.513 1.00 0.00 C ATOM 343 CZ TYR A 23 -7.419 -7.097 6.729 1.00 0.00 C ATOM 344 OH TYR A 23 -7.766 -8.386 7.066 1.00 0.00 O ATOM 0 H TYR A 23 -8.047 -1.664 4.142 1.00 0.00 H new ATOM 0 HA TYR A 23 -7.909 -2.428 6.997 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -6.193 -3.002 4.610 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.410 -2.810 6.167 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -8.048 -4.764 4.390 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.485 -4.560 7.791 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -8.664 -7.063 4.993 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.095 -6.862 8.389 1.00 0.00 H new ATOM 0 HH TYR A 23 -7.292 -8.649 7.883 1.00 0.00 H new ATOM 354 N GLU A 24 -6.532 -0.494 7.690 1.00 0.00 N ATOM 355 CA GLU A 24 -5.940 0.742 8.173 1.00 0.00 C ATOM 356 C GLU A 24 -4.500 0.872 7.686 1.00 0.00 C ATOM 357 O GLU A 24 -3.744 -0.102 7.686 1.00 0.00 O ATOM 358 CB GLU A 24 -5.995 0.779 9.703 1.00 0.00 C ATOM 359 CG GLU A 24 -5.495 -0.499 10.360 1.00 0.00 C ATOM 360 CD GLU A 24 -6.586 -1.533 10.573 1.00 0.00 C ATOM 361 OE1 GLU A 24 -7.101 -1.641 11.704 1.00 0.00 O ATOM 362 OE2 GLU A 24 -6.940 -2.236 9.602 1.00 0.00 O ATOM 0 H GLU A 24 -6.726 -1.173 8.426 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.509 1.584 7.778 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.399 1.619 10.060 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.023 0.962 10.017 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.709 -0.933 9.742 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.045 -0.253 11.322 1.00 0.00 H new ATOM 369 N ALA A 25 -4.120 2.070 7.264 1.00 0.00 N ATOM 370 CA ALA A 25 -2.777 2.293 6.764 1.00 0.00 C ATOM 371 C ALA A 25 -2.293 3.719 7.001 1.00 0.00 C ATOM 372 O ALA A 25 -3.079 4.663 7.081 1.00 0.00 O ATOM 373 CB ALA A 25 -2.724 1.964 5.284 1.00 0.00 C ATOM 0 H ALA A 25 -4.720 2.895 7.259 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.108 1.634 7.318 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.714 2.132 4.910 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.998 0.920 5.133 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.422 2.603 4.744 1.00 0.00 H new ATOM 379 N LYS A 26 -0.982 3.845 7.134 1.00 0.00 N ATOM 380 CA LYS A 26 -0.333 5.130 7.333 1.00 0.00 C ATOM 381 C LYS A 26 0.466 5.467 6.088 1.00 0.00 C ATOM 382 O LYS A 26 1.370 4.724 5.702 1.00 0.00 O ATOM 383 CB LYS A 26 0.582 5.077 8.556 1.00 0.00 C ATOM 384 CG LYS A 26 1.156 6.425 8.960 1.00 0.00 C ATOM 385 CD LYS A 26 1.832 6.354 10.321 1.00 0.00 C ATOM 386 CE LYS A 26 2.381 7.705 10.745 1.00 0.00 C ATOM 387 NZ LYS A 26 2.695 7.749 12.201 1.00 0.00 N ATOM 0 H LYS A 26 -0.336 3.056 7.107 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.084 5.901 7.507 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.024 4.665 9.397 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.404 4.390 8.352 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.876 6.755 8.211 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.359 7.169 8.986 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.117 6.002 11.065 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.642 5.626 10.288 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.282 7.926 10.173 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.655 8.482 10.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.386 8.504 12.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.825 7.938 12.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.093 6.835 12.498 1.00 0.00 H new ATOM 401 N ILE A 27 0.116 6.568 5.450 1.00 0.00 N ATOM 402 CA ILE A 27 0.787 6.982 4.232 1.00 0.00 C ATOM 403 C ILE A 27 2.169 7.529 4.520 1.00 0.00 C ATOM 404 O ILE A 27 2.320 8.605 5.094 1.00 0.00 O ATOM 405 CB ILE A 27 -0.026 8.035 3.457 1.00 0.00 C ATOM 406 CG1 ILE A 27 -1.498 7.627 3.390 1.00 0.00 C ATOM 407 CG2 ILE A 27 0.541 8.211 2.055 1.00 0.00 C ATOM 408 CD1 ILE A 27 -2.374 8.609 2.653 1.00 0.00 C ATOM 0 H ILE A 27 -0.630 7.193 5.755 1.00 0.00 H new ATOM 0 HA ILE A 27 0.878 6.089 3.614 1.00 0.00 H new ATOM 0 HB ILE A 27 0.045 8.987 3.983 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.573 6.654 2.905 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.878 7.507 4.405 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.043 8.958 1.518 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.578 8.539 2.121 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.494 7.262 1.522 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.402 8.248 2.649 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.332 9.578 3.150 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.022 8.711 1.627 1.00 0.00 H new ATOM 420 N LEU A 28 3.170 6.767 4.125 1.00 0.00 N ATOM 421 CA LEU A 28 4.546 7.161 4.321 1.00 0.00 C ATOM 422 C LEU A 28 5.054 7.950 3.127 1.00 0.00 C ATOM 423 O LEU A 28 5.950 8.769 3.260 1.00 0.00 O ATOM 424 CB LEU A 28 5.424 5.939 4.556 1.00 0.00 C ATOM 425 CG LEU A 28 6.230 5.999 5.844 1.00 0.00 C ATOM 426 CD1 LEU A 28 5.417 5.444 7.003 1.00 0.00 C ATOM 427 CD2 LEU A 28 7.547 5.253 5.699 1.00 0.00 C ATOM 0 H LEU A 28 3.052 5.865 3.663 1.00 0.00 H new ATOM 0 HA LEU A 28 4.594 7.799 5.203 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.795 5.049 4.574 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.109 5.828 3.715 1.00 0.00 H new ATOM 0 HG LEU A 28 6.462 7.043 6.054 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.007 5.494 7.918 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.508 6.033 7.125 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.152 4.407 6.798 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.103 5.312 6.634 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.349 4.208 5.460 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.134 5.703 4.899 1.00 0.00 H new ATOM 439 N LYS A 29 4.498 7.688 1.955 1.00 0.00 N ATOM 440 CA LYS A 29 4.907 8.406 0.758 1.00 0.00 C ATOM 441 C LYS A 29 3.701 8.723 -0.116 1.00 0.00 C ATOM 442 O LYS A 29 2.809 7.898 -0.283 1.00 0.00 O ATOM 443 CB LYS A 29 5.906 7.601 -0.088 1.00 0.00 C ATOM 444 CG LYS A 29 7.103 7.043 0.663 1.00 0.00 C ATOM 445 CD LYS A 29 8.100 6.404 -0.295 1.00 0.00 C ATOM 446 CE LYS A 29 9.191 5.660 0.452 1.00 0.00 C ATOM 447 NZ LYS A 29 10.281 5.192 -0.452 1.00 0.00 N ATOM 0 H LYS A 29 3.769 6.990 1.807 1.00 0.00 H new ATOM 0 HA LYS A 29 5.387 9.323 1.100 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.374 6.772 -0.555 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.270 8.239 -0.893 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.591 7.842 1.221 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.768 6.304 1.391 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.578 5.715 -0.959 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.548 7.174 -0.923 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.612 6.311 1.218 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.756 4.803 0.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.862 4.485 0.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.866 4.765 -1.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.877 6.000 -0.725 1.00 0.00 H new ATOM 461 N ILE A 30 3.677 9.922 -0.658 1.00 0.00 N ATOM 462 CA ILE A 30 2.612 10.344 -1.557 1.00 0.00 C ATOM 463 C ILE A 30 3.185 10.327 -2.957 1.00 0.00 C ATOM 464 O ILE A 30 4.342 10.670 -3.141 1.00 0.00 O ATOM 465 CB ILE A 30 2.056 11.753 -1.202 1.00 0.00 C ATOM 466 CG1 ILE A 30 1.180 11.701 0.050 1.00 0.00 C ATOM 467 CG2 ILE A 30 1.246 12.328 -2.351 1.00 0.00 C ATOM 468 CD1 ILE A 30 1.911 11.290 1.302 1.00 0.00 C ATOM 0 H ILE A 30 4.390 10.633 -0.492 1.00 0.00 H new ATOM 0 HA ILE A 30 1.765 9.664 -1.467 1.00 0.00 H new ATOM 0 HB ILE A 30 2.915 12.397 -1.012 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.735 12.683 0.209 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.360 11.004 -0.123 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.870 13.313 -2.074 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.879 12.416 -3.234 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.407 11.668 -2.571 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.216 11.279 2.142 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.333 10.294 1.167 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.714 11.999 1.504 1.00 0.00 H new ATOM 480 N TRP A 31 2.410 9.937 -3.946 1.00 0.00 N ATOM 481 CA TRP A 31 2.946 9.834 -5.281 1.00 0.00 C ATOM 482 C TRP A 31 2.342 10.819 -6.260 1.00 0.00 C ATOM 483 O TRP A 31 1.124 10.833 -6.468 1.00 0.00 O ATOM 484 CB TRP A 31 2.725 8.442 -5.817 1.00 0.00 C ATOM 485 CG TRP A 31 3.103 8.333 -7.246 1.00 0.00 C ATOM 486 CD1 TRP A 31 2.285 8.397 -8.322 1.00 0.00 C ATOM 487 CD2 TRP A 31 4.406 8.185 -7.738 1.00 0.00 C ATOM 488 NE1 TRP A 31 3.013 8.246 -9.475 1.00 0.00 N ATOM 489 CE2 TRP A 31 4.323 8.110 -9.136 1.00 0.00 C ATOM 490 CE3 TRP A 31 5.634 8.087 -7.117 1.00 0.00 C ATOM 491 CZ2 TRP A 31 5.437 7.942 -9.928 1.00 0.00 C ATOM 492 CZ3 TRP A 31 6.741 7.924 -7.900 1.00 0.00 C ATOM 493 CH2 TRP A 31 6.634 7.848 -9.295 1.00 0.00 C ATOM 0 H TRP A 31 1.425 9.691 -3.852 1.00 0.00 H new ATOM 0 HA TRP A 31 4.007 10.067 -5.193 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.308 7.731 -5.232 1.00 0.00 H new ATOM 0 HB3 TRP A 31 1.677 8.169 -5.697 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.216 8.545 -8.279 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.637 8.237 -10.423 1.00 0.00 H new ATOM 0 HE3 TRP A 31 5.718 8.138 -6.041 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 5.362 7.888 -11.004 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 7.714 7.853 -7.437 1.00 0.00 H new ATOM 0 HH2 TRP A 31 7.529 7.711 -9.883 1.00 0.00 H new ATOM 504 N ASP A 32 3.227 11.566 -6.911 1.00 0.00 N ATOM 505 CA ASP A 32 2.860 12.551 -7.916 1.00 0.00 C ATOM 506 C ASP A 32 3.013 11.928 -9.306 1.00 0.00 C ATOM 507 O ASP A 32 4.128 11.684 -9.768 1.00 0.00 O ATOM 508 CB ASP A 32 3.756 13.787 -7.778 1.00 0.00 C ATOM 509 CG ASP A 32 3.772 14.653 -9.024 1.00 0.00 C ATOM 510 OD1 ASP A 32 2.846 15.466 -9.196 1.00 0.00 O ATOM 511 OD2 ASP A 32 4.722 14.540 -9.826 1.00 0.00 O ATOM 0 H ASP A 32 4.232 11.502 -6.752 1.00 0.00 H new ATOM 0 HA ASP A 32 1.824 12.858 -7.776 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.414 14.384 -6.932 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.773 13.467 -7.552 1.00 0.00 H new ATOM 516 N PRO A 33 1.892 11.660 -9.988 1.00 0.00 N ATOM 517 CA PRO A 33 1.891 11.030 -11.320 1.00 0.00 C ATOM 518 C PRO A 33 2.236 11.997 -12.448 1.00 0.00 C ATOM 519 O PRO A 33 2.060 11.683 -13.625 1.00 0.00 O ATOM 520 CB PRO A 33 0.445 10.563 -11.458 1.00 0.00 C ATOM 521 CG PRO A 33 -0.333 11.581 -10.702 1.00 0.00 C ATOM 522 CD PRO A 33 0.523 11.947 -9.520 1.00 0.00 C ATOM 0 HA PRO A 33 2.642 10.243 -11.397 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.137 10.520 -12.503 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.306 9.565 -11.043 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.542 12.454 -11.320 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.295 11.181 -10.381 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.403 12.995 -9.246 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.267 11.357 -8.640 1.00 0.00 H new ATOM 530 N SER A 34 2.724 13.166 -12.088 1.00 0.00 N ATOM 531 CA SER A 34 3.065 14.183 -13.068 1.00 0.00 C ATOM 532 C SER A 34 4.548 14.140 -13.400 1.00 0.00 C ATOM 533 O SER A 34 4.937 14.023 -14.563 1.00 0.00 O ATOM 534 CB SER A 34 2.669 15.566 -12.554 1.00 0.00 C ATOM 535 OG SER A 34 1.298 15.597 -12.188 1.00 0.00 O ATOM 0 H SER A 34 2.895 13.439 -11.120 1.00 0.00 H new ATOM 0 HA SER A 34 2.509 13.979 -13.983 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.285 15.829 -11.694 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.861 16.313 -13.324 1.00 0.00 H new ATOM 0 HG SER A 34 1.067 16.491 -11.860 1.00 0.00 H new ATOM 541 N SER A 35 5.371 14.227 -12.371 1.00 0.00 N ATOM 542 CA SER A 35 6.812 14.215 -12.539 1.00 0.00 C ATOM 543 C SER A 35 7.364 12.829 -12.251 1.00 0.00 C ATOM 544 O SER A 35 8.468 12.497 -12.680 1.00 0.00 O ATOM 545 CB SER A 35 7.434 15.246 -11.605 1.00 0.00 C ATOM 546 OG SER A 35 6.448 16.169 -11.170 1.00 0.00 O ATOM 0 H SER A 35 5.062 14.307 -11.402 1.00 0.00 H new ATOM 0 HA SER A 35 7.061 14.470 -13.569 1.00 0.00 H new ATOM 0 HB2 SER A 35 7.880 14.746 -10.745 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.237 15.775 -12.118 1.00 0.00 H new ATOM 0 HG SER A 35 5.845 15.729 -10.536 1.00 0.00 H new ATOM 552 N LYS A 36 6.591 12.067 -11.466 1.00 0.00 N ATOM 553 CA LYS A 36 6.900 10.696 -11.082 1.00 0.00 C ATOM 554 C LYS A 36 7.795 10.718 -9.855 1.00 0.00 C ATOM 555 O LYS A 36 8.628 9.845 -9.590 1.00 0.00 O ATOM 556 CB LYS A 36 7.442 9.843 -12.247 1.00 0.00 C ATOM 557 CG LYS A 36 8.945 9.703 -12.291 1.00 0.00 C ATOM 558 CD LYS A 36 9.379 8.429 -13.002 1.00 0.00 C ATOM 559 CE LYS A 36 8.528 8.146 -14.228 1.00 0.00 C ATOM 560 NZ LYS A 36 8.862 6.836 -14.843 1.00 0.00 N ATOM 0 H LYS A 36 5.711 12.402 -11.073 1.00 0.00 H new ATOM 0 HA LYS A 36 5.975 10.185 -10.814 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.001 8.848 -12.184 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.106 10.282 -13.186 1.00 0.00 H new ATOM 0 HG2 LYS A 36 9.375 10.566 -12.799 1.00 0.00 H new ATOM 0 HG3 LYS A 36 9.339 9.703 -11.275 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.424 8.517 -13.298 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.313 7.588 -12.312 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.474 8.158 -13.949 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.673 8.939 -14.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.260 6.680 -15.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.861 6.833 -15.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.699 6.076 -14.152 1.00 0.00 H new ATOM 574 N MET A 37 7.576 11.753 -9.093 1.00 0.00 N ATOM 575 CA MET A 37 8.229 11.954 -7.863 1.00 0.00 C ATOM 576 C MET A 37 7.219 11.565 -6.813 1.00 0.00 C ATOM 577 O MET A 37 6.027 11.461 -7.094 1.00 0.00 O ATOM 578 CB MET A 37 8.671 13.411 -7.708 1.00 0.00 C ATOM 579 CG MET A 37 7.550 14.419 -7.886 1.00 0.00 C ATOM 580 SD MET A 37 8.173 16.078 -8.212 1.00 0.00 S ATOM 581 CE MET A 37 6.656 17.029 -8.145 1.00 0.00 C ATOM 0 H MET A 37 6.916 12.493 -9.332 1.00 0.00 H new ATOM 0 HA MET A 37 9.139 11.360 -7.780 1.00 0.00 H new ATOM 0 HB2 MET A 37 9.111 13.543 -6.720 1.00 0.00 H new ATOM 0 HB3 MET A 37 9.454 13.622 -8.436 1.00 0.00 H new ATOM 0 HG2 MET A 37 6.909 14.105 -8.710 1.00 0.00 H new ATOM 0 HG3 MET A 37 6.932 14.435 -6.989 1.00 0.00 H new ATOM 0 HE1 MET A 37 6.549 17.608 -9.062 1.00 0.00 H new ATOM 0 HE2 MET A 37 5.807 16.353 -8.041 1.00 0.00 H new ATOM 0 HE3 MET A 37 6.688 17.705 -7.291 1.00 0.00 H new ATOM 591 N TYR A 38 7.674 11.383 -5.628 1.00 0.00 N ATOM 592 CA TYR A 38 6.830 10.979 -4.554 1.00 0.00 C ATOM 593 C TYR A 38 7.328 11.710 -3.333 1.00 0.00 C ATOM 594 O TYR A 38 8.500 12.095 -3.280 1.00 0.00 O ATOM 595 CB TYR A 38 6.888 9.459 -4.344 1.00 0.00 C ATOM 596 CG TYR A 38 8.267 8.931 -4.057 1.00 0.00 C ATOM 597 CD1 TYR A 38 9.094 8.497 -5.080 1.00 0.00 C ATOM 598 CD2 TYR A 38 8.740 8.867 -2.759 1.00 0.00 C ATOM 599 CE1 TYR A 38 10.360 8.017 -4.814 1.00 0.00 C ATOM 600 CE2 TYR A 38 10.000 8.390 -2.480 1.00 0.00 C ATOM 601 CZ TYR A 38 10.809 7.964 -3.513 1.00 0.00 C ATOM 602 OH TYR A 38 12.071 7.486 -3.240 1.00 0.00 O ATOM 0 H TYR A 38 8.652 11.510 -5.369 1.00 0.00 H new ATOM 0 HA TYR A 38 5.788 11.219 -4.763 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.229 9.192 -3.518 1.00 0.00 H new ATOM 0 HB3 TYR A 38 6.499 8.965 -5.234 1.00 0.00 H new ATOM 0 HD1 TYR A 38 8.743 8.535 -6.101 1.00 0.00 H new ATOM 0 HD2 TYR A 38 8.108 9.198 -1.948 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.995 7.685 -5.622 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.353 8.349 -1.460 1.00 0.00 H new ATOM 0 HH TYR A 38 12.009 6.559 -2.927 1.00 0.00 H new ATOM 612 N THR A 39 6.477 11.932 -2.380 1.00 0.00 N ATOM 613 CA THR A 39 6.890 12.615 -1.191 1.00 0.00 C ATOM 614 C THR A 39 6.811 11.665 -0.012 1.00 0.00 C ATOM 615 O THR A 39 5.738 11.226 0.387 1.00 0.00 O ATOM 616 CB THR A 39 6.061 13.882 -0.964 1.00 0.00 C ATOM 617 OG1 THR A 39 4.686 13.561 -0.711 1.00 0.00 O ATOM 618 CG2 THR A 39 6.146 14.799 -2.171 1.00 0.00 C ATOM 0 H THR A 39 5.496 11.652 -2.400 1.00 0.00 H new ATOM 0 HA THR A 39 7.925 12.939 -1.303 1.00 0.00 H new ATOM 0 HB THR A 39 6.472 14.391 -0.092 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.622 12.648 -0.360 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.550 15.694 -1.991 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.185 15.082 -2.340 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.764 14.280 -3.050 1.00 0.00 H new ATOM 626 N SER A 40 7.968 11.337 0.522 1.00 0.00 N ATOM 627 CA SER A 40 8.063 10.413 1.635 1.00 0.00 C ATOM 628 C SER A 40 7.977 11.174 2.945 1.00 0.00 C ATOM 629 O SER A 40 7.910 12.404 2.961 1.00 0.00 O ATOM 630 CB SER A 40 9.387 9.632 1.556 1.00 0.00 C ATOM 631 OG SER A 40 9.368 8.483 2.387 1.00 0.00 O ATOM 0 H SER A 40 8.865 11.700 0.200 1.00 0.00 H new ATOM 0 HA SER A 40 7.236 9.705 1.585 1.00 0.00 H new ATOM 0 HB2 SER A 40 9.572 9.332 0.524 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.211 10.281 1.852 1.00 0.00 H new ATOM 0 HG SER A 40 10.269 8.100 2.437 1.00 0.00 H new ATOM 637 N ILE A 41 7.940 10.449 4.039 1.00 0.00 N ATOM 638 CA ILE A 41 7.861 11.073 5.338 1.00 0.00 C ATOM 639 C ILE A 41 8.757 10.364 6.346 1.00 0.00 C ATOM 640 O ILE A 41 9.067 9.178 6.195 1.00 0.00 O ATOM 641 CB ILE A 41 6.408 11.090 5.890 1.00 0.00 C ATOM 642 CG1 ILE A 41 6.000 9.703 6.395 1.00 0.00 C ATOM 643 CG2 ILE A 41 5.423 11.582 4.843 1.00 0.00 C ATOM 644 CD1 ILE A 41 4.905 9.725 7.438 1.00 0.00 C ATOM 0 H ILE A 41 7.963 9.429 4.055 1.00 0.00 H new ATOM 0 HA ILE A 41 8.199 12.100 5.203 1.00 0.00 H new ATOM 0 HB ILE A 41 6.384 11.786 6.729 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.669 9.102 5.548 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.876 9.208 6.814 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.417 11.581 5.262 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.690 12.595 4.540 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.455 10.923 3.975 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.673 8.705 7.744 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.239 10.297 8.304 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.012 10.189 7.019 1.00 0.00 H new ATOM 656 N PRO A 42 9.239 11.118 7.350 1.00 0.00 N ATOM 657 CA PRO A 42 10.065 10.582 8.436 1.00 0.00 C ATOM 658 C PRO A 42 9.465 9.300 9.026 1.00 0.00 C ATOM 659 O PRO A 42 8.243 9.177 9.154 1.00 0.00 O ATOM 660 CB PRO A 42 10.048 11.705 9.473 1.00 0.00 C ATOM 661 CG PRO A 42 9.819 12.960 8.694 1.00 0.00 C ATOM 662 CD PRO A 42 9.059 12.578 7.451 1.00 0.00 C ATOM 0 HA PRO A 42 11.066 10.308 8.102 1.00 0.00 H new ATOM 0 HB2 PRO A 42 9.258 11.549 10.208 1.00 0.00 H new ATOM 0 HB3 PRO A 42 10.989 11.749 10.021 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.254 13.682 9.284 1.00 0.00 H new ATOM 0 HG3 PRO A 42 10.767 13.431 8.436 1.00 0.00 H new ATOM 0 HD2 PRO A 42 8.005 12.845 7.531 1.00 0.00 H new ATOM 0 HD3 PRO A 42 9.451 13.089 6.572 1.00 0.00 H new ATOM 670 N ASN A 43 10.327 8.356 9.391 1.00 0.00 N ATOM 671 CA ASN A 43 9.890 7.067 9.938 1.00 0.00 C ATOM 672 C ASN A 43 9.375 7.182 11.375 1.00 0.00 C ATOM 673 O ASN A 43 9.919 6.562 12.294 1.00 0.00 O ATOM 674 CB ASN A 43 11.037 6.050 9.875 1.00 0.00 C ATOM 675 CG ASN A 43 10.547 4.609 9.875 1.00 0.00 C ATOM 676 OD1 ASN A 43 10.241 4.047 8.822 1.00 0.00 O ATOM 677 ND2 ASN A 43 10.488 3.997 11.046 1.00 0.00 N ATOM 0 H ASN A 43 11.339 8.457 9.319 1.00 0.00 H new ATOM 0 HA ASN A 43 9.058 6.726 9.322 1.00 0.00 H new ATOM 0 HB2 ASN A 43 11.626 6.229 8.976 1.00 0.00 H new ATOM 0 HB3 ASN A 43 11.700 6.204 10.726 1.00 0.00 H new ATOM 0 HD21 ASN A 43 10.181 3.026 11.099 1.00 0.00 H new ATOM 0 HD22 ASN A 43 10.750 4.496 11.896 1.00 0.00 H new ATOM 684 N ASP A 44 8.335 7.995 11.558 1.00 0.00 N ATOM 685 CA ASP A 44 7.696 8.187 12.863 1.00 0.00 C ATOM 686 C ASP A 44 8.693 8.552 13.956 1.00 0.00 C ATOM 687 O ASP A 44 8.507 8.188 15.121 1.00 0.00 O ATOM 688 CB ASP A 44 6.954 6.910 13.267 1.00 0.00 C ATOM 689 CG ASP A 44 5.452 7.087 13.269 1.00 0.00 C ATOM 690 OD1 ASP A 44 4.743 6.201 12.744 1.00 0.00 O ATOM 691 OD2 ASP A 44 4.967 8.115 13.787 1.00 0.00 O ATOM 0 H ASP A 44 7.911 8.540 10.807 1.00 0.00 H new ATOM 0 HA ASP A 44 7.001 9.020 12.759 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.221 6.106 12.580 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.281 6.603 14.260 1.00 0.00 H new ATOM 696 N LYS A 45 9.741 9.273 13.596 1.00 0.00 N ATOM 697 CA LYS A 45 10.752 9.655 14.566 1.00 0.00 C ATOM 698 C LYS A 45 10.839 11.169 14.721 1.00 0.00 C ATOM 699 O LYS A 45 11.080 11.891 13.753 1.00 0.00 O ATOM 700 CB LYS A 45 12.116 9.076 14.172 1.00 0.00 C ATOM 701 CG LYS A 45 12.570 9.452 12.768 1.00 0.00 C ATOM 702 CD LYS A 45 13.807 8.667 12.353 1.00 0.00 C ATOM 703 CE LYS A 45 14.927 8.807 13.375 1.00 0.00 C ATOM 704 NZ LYS A 45 16.022 7.826 13.152 1.00 0.00 N ATOM 0 H LYS A 45 9.913 9.603 12.647 1.00 0.00 H new ATOM 0 HA LYS A 45 10.458 9.242 15.531 1.00 0.00 H new ATOM 0 HB2 LYS A 45 12.864 9.418 14.888 1.00 0.00 H new ATOM 0 HB3 LYS A 45 12.073 7.990 14.250 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.763 9.262 12.060 1.00 0.00 H new ATOM 0 HG3 LYS A 45 12.785 10.520 12.728 1.00 0.00 H new ATOM 0 HD2 LYS A 45 13.549 7.614 12.237 1.00 0.00 H new ATOM 0 HD3 LYS A 45 14.154 9.019 11.382 1.00 0.00 H new ATOM 0 HE2 LYS A 45 15.333 9.818 13.329 1.00 0.00 H new ATOM 0 HE3 LYS A 45 14.520 8.672 14.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 16.760 7.960 13.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 15.642 6.860 13.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 16.430 7.970 12.206 1.00 0.00 H new ATOM 718 N PRO A 46 10.628 11.666 15.948 1.00 0.00 N ATOM 719 CA PRO A 46 10.703 13.090 16.257 1.00 0.00 C ATOM 720 C PRO A 46 12.144 13.527 16.512 1.00 0.00 C ATOM 721 O PRO A 46 12.425 14.698 16.773 1.00 0.00 O ATOM 722 CB PRO A 46 9.869 13.237 17.538 1.00 0.00 C ATOM 723 CG PRO A 46 9.410 11.858 17.907 1.00 0.00 C ATOM 724 CD PRO A 46 10.266 10.890 17.138 1.00 0.00 C ATOM 0 HA PRO A 46 10.340 13.708 15.436 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.463 13.676 18.340 1.00 0.00 H new ATOM 0 HB3 PRO A 46 9.018 13.898 17.373 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.509 11.693 18.980 1.00 0.00 H new ATOM 0 HG3 PRO A 46 8.357 11.723 17.660 1.00 0.00 H new ATOM 0 HD2 PRO A 46 11.144 10.584 17.706 1.00 0.00 H new ATOM 0 HD3 PRO A 46 9.721 9.982 16.880 1.00 0.00 H new ATOM 732 N GLY A 47 13.048 12.559 16.448 1.00 0.00 N ATOM 733 CA GLY A 47 14.454 12.823 16.658 1.00 0.00 C ATOM 734 C GLY A 47 15.281 12.352 15.487 1.00 0.00 C ATOM 735 O GLY A 47 15.517 11.156 15.332 1.00 0.00 O ATOM 0 H GLY A 47 12.826 11.583 16.251 1.00 0.00 H new ATOM 0 HA2 GLY A 47 14.607 13.892 16.808 1.00 0.00 H new ATOM 0 HA3 GLY A 47 14.788 12.323 17.567 1.00 0.00 H new ATOM 739 N GLY A 48 15.701 13.286 14.650 1.00 0.00 N ATOM 740 CA GLY A 48 16.501 12.944 13.493 1.00 0.00 C ATOM 741 C GLY A 48 17.196 14.154 12.921 1.00 0.00 C ATOM 742 O GLY A 48 17.061 15.257 13.450 1.00 0.00 O ATOM 0 H GLY A 48 15.501 14.281 14.752 1.00 0.00 H new ATOM 0 HA2 GLY A 48 17.243 12.195 13.771 1.00 0.00 H new ATOM 0 HA3 GLY A 48 15.865 12.495 12.730 1.00 0.00 H new ATOM 746 N SER A 49 17.934 13.949 11.843 1.00 0.00 N ATOM 747 CA SER A 49 18.656 15.028 11.198 1.00 0.00 C ATOM 748 C SER A 49 17.684 15.973 10.502 1.00 0.00 C ATOM 749 O SER A 49 16.798 15.537 9.776 1.00 0.00 O ATOM 750 CB SER A 49 19.652 14.455 10.190 1.00 0.00 C ATOM 751 OG SER A 49 20.403 13.393 10.761 1.00 0.00 O ATOM 0 H SER A 49 18.048 13.039 11.396 1.00 0.00 H new ATOM 0 HA SER A 49 19.202 15.591 11.955 1.00 0.00 H new ATOM 0 HB2 SER A 49 19.118 14.095 9.311 1.00 0.00 H new ATOM 0 HB3 SER A 49 20.327 15.242 9.853 1.00 0.00 H new ATOM 0 HG SER A 49 21.032 13.042 10.096 1.00 0.00 H new ATOM 757 N SER A 50 17.861 17.264 10.722 1.00 0.00 N ATOM 758 CA SER A 50 16.998 18.276 10.133 1.00 0.00 C ATOM 759 C SER A 50 17.393 18.573 8.685 1.00 0.00 C ATOM 760 O SER A 50 16.770 19.402 8.021 1.00 0.00 O ATOM 761 CB SER A 50 17.099 19.546 10.972 1.00 0.00 C ATOM 762 OG SER A 50 18.344 19.581 11.655 1.00 0.00 O ATOM 0 H SER A 50 18.604 17.640 11.311 1.00 0.00 H new ATOM 0 HA SER A 50 15.973 17.906 10.123 1.00 0.00 H new ATOM 0 HB2 SER A 50 17.002 20.423 10.332 1.00 0.00 H new ATOM 0 HB3 SER A 50 16.280 19.583 11.690 1.00 0.00 H new ATOM 0 HG SER A 50 18.401 20.400 12.190 1.00 0.00 H new ATOM 768 N GLN A 51 18.436 17.900 8.207 1.00 0.00 N ATOM 769 CA GLN A 51 18.922 18.106 6.846 1.00 0.00 C ATOM 770 C GLN A 51 18.782 16.830 6.018 1.00 0.00 C ATOM 771 O GLN A 51 18.118 16.819 4.988 1.00 0.00 O ATOM 772 CB GLN A 51 20.387 18.556 6.871 1.00 0.00 C ATOM 773 CG GLN A 51 20.707 19.500 8.022 1.00 0.00 C ATOM 774 CD GLN A 51 22.101 20.085 7.948 1.00 0.00 C ATOM 775 OE1 GLN A 51 23.029 19.351 7.351 1.00 0.00 O flip ATOM 776 NE2 GLN A 51 22.340 21.196 8.421 1.00 0.00 N flip ATOM 0 H GLN A 51 18.961 17.208 8.742 1.00 0.00 H new ATOM 0 HA GLN A 51 18.316 18.885 6.382 1.00 0.00 H new ATOM 0 HB2 GLN A 51 21.029 17.678 6.941 1.00 0.00 H new ATOM 0 HB3 GLN A 51 20.625 19.050 5.929 1.00 0.00 H new ATOM 0 HG2 GLN A 51 19.980 20.312 8.029 1.00 0.00 H new ATOM 0 HG3 GLN A 51 20.595 18.964 8.964 1.00 0.00 H new ATOM 0 HE21 GLN A 51 21.597 21.729 8.873 1.00 0.00 H new ATOM 0 HE22 GLN A 51 23.281 21.584 8.361 1.00 0.00 H new ATOM 785 N ALA A 52 19.408 15.751 6.486 1.00 0.00 N ATOM 786 CA ALA A 52 19.351 14.467 5.793 1.00 0.00 C ATOM 787 C ALA A 52 17.979 13.816 5.961 1.00 0.00 C ATOM 788 O ALA A 52 17.623 12.883 5.241 1.00 0.00 O ATOM 789 CB ALA A 52 20.448 13.542 6.299 1.00 0.00 C ATOM 0 H ALA A 52 19.961 15.742 7.343 1.00 0.00 H new ATOM 0 HA ALA A 52 19.511 14.646 4.730 1.00 0.00 H new ATOM 0 HB1 ALA A 52 20.392 12.589 5.773 1.00 0.00 H new ATOM 0 HB2 ALA A 52 21.421 13.999 6.119 1.00 0.00 H new ATOM 0 HB3 ALA A 52 20.318 13.374 7.368 1.00 0.00 H new ATOM 795 N THR A 53 17.217 14.321 6.916 1.00 0.00 N ATOM 796 CA THR A 53 15.880 13.823 7.194 1.00 0.00 C ATOM 797 C THR A 53 14.941 15.014 7.350 1.00 0.00 C ATOM 798 O THR A 53 15.402 16.156 7.369 1.00 0.00 O ATOM 799 CB THR A 53 15.854 12.951 8.471 1.00 0.00 C ATOM 800 OG1 THR A 53 17.153 12.385 8.708 1.00 0.00 O ATOM 801 CG2 THR A 53 14.828 11.829 8.352 1.00 0.00 C ATOM 0 H THR A 53 17.508 15.089 7.521 1.00 0.00 H new ATOM 0 HA THR A 53 15.557 13.193 6.365 1.00 0.00 H new ATOM 0 HB THR A 53 15.573 13.591 9.307 1.00 0.00 H new ATOM 0 HG1 THR A 53 17.128 11.836 9.519 1.00 0.00 H new ATOM 0 HG21 THR A 53 14.833 11.233 9.265 1.00 0.00 H new ATOM 0 HG22 THR A 53 13.837 12.257 8.203 1.00 0.00 H new ATOM 0 HG23 THR A 53 15.080 11.194 7.503 1.00 0.00 H new ATOM 809 N LYS A 54 13.636 14.750 7.425 1.00 0.00 N ATOM 810 CA LYS A 54 12.616 15.798 7.568 1.00 0.00 C ATOM 811 C LYS A 54 12.433 16.580 6.259 1.00 0.00 C ATOM 812 O LYS A 54 11.304 16.872 5.857 1.00 0.00 O ATOM 813 CB LYS A 54 12.951 16.752 8.730 1.00 0.00 C ATOM 814 CG LYS A 54 11.864 17.775 9.021 1.00 0.00 C ATOM 815 CD LYS A 54 12.208 19.145 8.455 1.00 0.00 C ATOM 816 CE LYS A 54 10.954 19.963 8.188 1.00 0.00 C ATOM 817 NZ LYS A 54 10.149 20.182 9.422 1.00 0.00 N ATOM 0 H LYS A 54 13.253 13.805 7.389 1.00 0.00 H new ATOM 0 HA LYS A 54 11.673 15.304 7.800 1.00 0.00 H new ATOM 0 HB2 LYS A 54 13.132 16.164 9.629 1.00 0.00 H new ATOM 0 HB3 LYS A 54 13.878 17.277 8.500 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.920 17.433 8.596 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.718 17.853 10.098 1.00 0.00 H new ATOM 0 HD2 LYS A 54 12.851 19.679 9.155 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.772 19.027 7.530 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.235 20.927 7.764 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.342 19.454 7.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.371 20.840 9.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.758 19.275 9.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.755 20.584 10.165 1.00 0.00 H new ATOM 831 N GLU A 55 13.536 16.896 5.591 1.00 0.00 N ATOM 832 CA GLU A 55 13.496 17.634 4.334 1.00 0.00 C ATOM 833 C GLU A 55 13.211 16.713 3.159 1.00 0.00 C ATOM 834 O GLU A 55 14.008 16.593 2.229 1.00 0.00 O ATOM 835 CB GLU A 55 14.814 18.380 4.113 1.00 0.00 C ATOM 836 CG GLU A 55 14.977 19.600 4.996 1.00 0.00 C ATOM 837 CD GLU A 55 15.079 20.872 4.191 1.00 0.00 C ATOM 838 OE1 GLU A 55 14.123 21.190 3.457 1.00 0.00 O ATOM 839 OE2 GLU A 55 16.124 21.553 4.277 1.00 0.00 O ATOM 0 H GLU A 55 14.476 16.650 5.902 1.00 0.00 H new ATOM 0 HA GLU A 55 12.684 18.358 4.398 1.00 0.00 H new ATOM 0 HB2 GLU A 55 15.643 17.697 4.295 1.00 0.00 H new ATOM 0 HB3 GLU A 55 14.877 18.687 3.069 1.00 0.00 H new ATOM 0 HG2 GLU A 55 14.129 19.670 5.678 1.00 0.00 H new ATOM 0 HG3 GLU A 55 15.871 19.487 5.609 1.00 0.00 H new ATOM 846 N ILE A 56 12.066 16.064 3.208 1.00 0.00 N ATOM 847 CA ILE A 56 11.665 15.172 2.150 1.00 0.00 C ATOM 848 C ILE A 56 10.996 15.949 1.037 1.00 0.00 C ATOM 849 O ILE A 56 9.830 16.327 1.119 1.00 0.00 O ATOM 850 CB ILE A 56 10.733 14.057 2.648 1.00 0.00 C ATOM 851 CG1 ILE A 56 11.457 13.114 3.622 1.00 0.00 C ATOM 852 CG2 ILE A 56 10.224 13.273 1.469 1.00 0.00 C ATOM 853 CD1 ILE A 56 11.452 13.576 5.061 1.00 0.00 C ATOM 0 H ILE A 56 11.397 16.141 3.974 1.00 0.00 H new ATOM 0 HA ILE A 56 12.569 14.695 1.771 1.00 0.00 H new ATOM 0 HB ILE A 56 9.901 14.517 3.181 1.00 0.00 H new ATOM 0 HG12 ILE A 56 10.992 12.130 3.568 1.00 0.00 H new ATOM 0 HG13 ILE A 56 12.490 12.997 3.295 1.00 0.00 H new ATOM 0 HG21 ILE A 56 9.562 12.480 1.818 1.00 0.00 H new ATOM 0 HG22 ILE A 56 9.675 13.936 0.800 1.00 0.00 H new ATOM 0 HG23 ILE A 56 11.066 12.834 0.934 1.00 0.00 H new ATOM 0 HD11 ILE A 56 11.984 12.852 5.678 1.00 0.00 H new ATOM 0 HD12 ILE A 56 11.945 14.546 5.134 1.00 0.00 H new ATOM 0 HD13 ILE A 56 10.424 13.664 5.411 1.00 0.00 H new ATOM 865 N LYS A 57 11.783 16.232 0.025 1.00 0.00 N ATOM 866 CA LYS A 57 11.307 16.920 -1.147 1.00 0.00 C ATOM 867 C LYS A 57 10.819 15.865 -2.125 1.00 0.00 C ATOM 868 O LYS A 57 11.194 14.698 -1.993 1.00 0.00 O ATOM 869 CB LYS A 57 12.433 17.752 -1.769 1.00 0.00 C ATOM 870 CG LYS A 57 12.413 19.217 -1.364 1.00 0.00 C ATOM 871 CD LYS A 57 12.847 19.422 0.078 1.00 0.00 C ATOM 872 CE LYS A 57 13.207 20.877 0.341 1.00 0.00 C ATOM 873 NZ LYS A 57 14.600 21.034 0.836 1.00 0.00 N ATOM 0 H LYS A 57 12.773 15.990 -0.006 1.00 0.00 H new ATOM 0 HA LYS A 57 10.498 17.604 -0.891 1.00 0.00 H new ATOM 0 HB2 LYS A 57 13.392 17.319 -1.483 1.00 0.00 H new ATOM 0 HB3 LYS A 57 12.364 17.684 -2.855 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.071 19.783 -2.023 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.407 19.615 -1.499 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.045 19.116 0.749 1.00 0.00 H new ATOM 0 HD3 LYS A 57 13.705 18.787 0.296 1.00 0.00 H new ATOM 0 HE2 LYS A 57 13.083 21.451 -0.577 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.515 21.293 1.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 14.584 21.417 1.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 15.074 20.108 0.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 15.118 21.687 0.214 1.00 0.00 H new ATOM 887 N PRO A 58 9.957 16.231 -3.077 1.00 0.00 N ATOM 888 CA PRO A 58 9.450 15.283 -4.071 1.00 0.00 C ATOM 889 C PRO A 58 10.596 14.605 -4.818 1.00 0.00 C ATOM 890 O PRO A 58 11.283 15.227 -5.629 1.00 0.00 O ATOM 891 CB PRO A 58 8.615 16.156 -5.006 1.00 0.00 C ATOM 892 CG PRO A 58 8.249 17.349 -4.195 1.00 0.00 C ATOM 893 CD PRO A 58 9.398 17.576 -3.257 1.00 0.00 C ATOM 0 HA PRO A 58 8.873 14.471 -3.628 1.00 0.00 H new ATOM 0 HB2 PRO A 58 9.183 16.440 -5.892 1.00 0.00 H new ATOM 0 HB3 PRO A 58 7.727 15.627 -5.352 1.00 0.00 H new ATOM 0 HG2 PRO A 58 8.086 18.219 -4.831 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.323 17.179 -3.645 1.00 0.00 H new ATOM 0 HD2 PRO A 58 10.131 18.263 -3.678 1.00 0.00 H new ATOM 0 HD3 PRO A 58 9.067 18.004 -2.311 1.00 0.00 H new ATOM 901 N GLN A 59 10.799 13.331 -4.524 1.00 0.00 N ATOM 902 CA GLN A 59 11.874 12.560 -5.131 1.00 0.00 C ATOM 903 C GLN A 59 11.345 11.668 -6.240 1.00 0.00 C ATOM 904 O GLN A 59 10.329 11.008 -6.072 1.00 0.00 O ATOM 905 CB GLN A 59 12.565 11.694 -4.071 1.00 0.00 C ATOM 906 CG GLN A 59 13.482 12.459 -3.135 1.00 0.00 C ATOM 907 CD GLN A 59 13.415 11.941 -1.711 1.00 0.00 C ATOM 908 OE1 GLN A 59 14.138 11.019 -1.331 1.00 0.00 O ATOM 909 NE2 GLN A 59 12.547 12.531 -0.907 1.00 0.00 N ATOM 0 H GLN A 59 10.228 12.804 -3.863 1.00 0.00 H new ATOM 0 HA GLN A 59 12.591 13.262 -5.557 1.00 0.00 H new ATOM 0 HB2 GLN A 59 11.802 11.188 -3.479 1.00 0.00 H new ATOM 0 HB3 GLN A 59 13.144 10.919 -4.574 1.00 0.00 H new ATOM 0 HG2 GLN A 59 14.508 12.388 -3.497 1.00 0.00 H new ATOM 0 HG3 GLN A 59 13.212 13.515 -3.148 1.00 0.00 H new ATOM 0 HE21 GLN A 59 11.964 13.292 -1.256 1.00 0.00 H new ATOM 0 HE22 GLN A 59 12.460 12.225 0.062 1.00 0.00 H new ATOM 918 N LYS A 60 12.032 11.663 -7.372 1.00 0.00 N ATOM 919 CA LYS A 60 11.645 10.843 -8.498 1.00 0.00 C ATOM 920 C LYS A 60 11.953 9.391 -8.194 1.00 0.00 C ATOM 921 O LYS A 60 12.880 9.086 -7.440 1.00 0.00 O ATOM 922 CB LYS A 60 12.372 11.279 -9.774 1.00 0.00 C ATOM 923 CG LYS A 60 11.725 12.463 -10.472 1.00 0.00 C ATOM 924 CD LYS A 60 12.382 12.744 -11.816 1.00 0.00 C ATOM 925 CE LYS A 60 11.662 13.851 -12.570 1.00 0.00 C ATOM 926 NZ LYS A 60 11.724 15.152 -11.852 1.00 0.00 N ATOM 0 H LYS A 60 12.868 12.225 -7.531 1.00 0.00 H new ATOM 0 HA LYS A 60 10.574 10.964 -8.664 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.402 11.534 -9.525 1.00 0.00 H new ATOM 0 HB3 LYS A 60 12.410 10.437 -10.466 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.663 12.265 -10.619 1.00 0.00 H new ATOM 0 HG3 LYS A 60 11.799 13.346 -9.837 1.00 0.00 H new ATOM 0 HD2 LYS A 60 13.423 13.026 -11.661 1.00 0.00 H new ATOM 0 HD3 LYS A 60 12.384 11.835 -12.418 1.00 0.00 H new ATOM 0 HE2 LYS A 60 12.106 13.962 -13.559 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.620 13.569 -12.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.326 15.900 -12.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.176 15.089 -10.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 12.714 15.378 -11.628 1.00 0.00 H new ATOM 940 N LEU A 61 11.164 8.513 -8.764 1.00 0.00 N ATOM 941 CA LEU A 61 11.331 7.093 -8.552 1.00 0.00 C ATOM 942 C LEU A 61 12.656 6.556 -9.036 1.00 0.00 C ATOM 943 O LEU A 61 12.992 6.655 -10.221 1.00 0.00 O ATOM 944 CB LEU A 61 10.238 6.316 -9.252 1.00 0.00 C ATOM 945 CG LEU A 61 9.020 6.023 -8.407 1.00 0.00 C ATOM 946 CD1 LEU A 61 8.136 5.028 -9.126 1.00 0.00 C ATOM 947 CD2 LEU A 61 9.425 5.505 -7.039 1.00 0.00 C ATOM 0 H LEU A 61 10.392 8.759 -9.384 1.00 0.00 H new ATOM 0 HA LEU A 61 11.285 6.962 -7.471 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.924 6.874 -10.134 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.653 5.372 -9.604 1.00 0.00 H new ATOM 0 HG LEU A 61 8.460 6.946 -8.254 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.257 4.816 -8.517 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.823 5.445 -10.083 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.691 4.105 -9.296 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.532 5.301 -6.448 1.00 0.00 H new ATOM 0 HD22 LEU A 61 10.002 4.587 -7.154 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.032 6.254 -6.531 1.00 0.00 H new ATOM 959 N GLY A 62 13.410 6.003 -8.105 1.00 0.00 N ATOM 960 CA GLY A 62 14.639 5.349 -8.461 1.00 0.00 C ATOM 961 C GLY A 62 14.291 4.046 -9.151 1.00 0.00 C ATOM 962 O GLY A 62 13.147 3.592 -9.065 1.00 0.00 O ATOM 0 H GLY A 62 13.190 5.997 -7.109 1.00 0.00 H new ATOM 0 HA2 GLY A 62 15.231 5.983 -9.120 1.00 0.00 H new ATOM 0 HA3 GLY A 62 15.242 5.161 -7.573 1.00 0.00 H new ATOM 966 N GLU A 63 15.244 3.421 -9.806 1.00 0.00 N ATOM 967 CA GLU A 63 14.981 2.173 -10.524 1.00 0.00 C ATOM 968 C GLU A 63 14.826 0.990 -9.569 1.00 0.00 C ATOM 969 O GLU A 63 14.925 -0.167 -9.970 1.00 0.00 O ATOM 970 CB GLU A 63 16.112 1.923 -11.508 1.00 0.00 C ATOM 971 CG GLU A 63 16.550 3.197 -12.199 1.00 0.00 C ATOM 972 CD GLU A 63 17.652 2.984 -13.211 1.00 0.00 C ATOM 973 OE1 GLU A 63 18.633 2.279 -12.895 1.00 0.00 O ATOM 974 OE2 GLU A 63 17.549 3.538 -14.323 1.00 0.00 O ATOM 0 H GLU A 63 16.209 3.747 -9.862 1.00 0.00 H new ATOM 0 HA GLU A 63 14.038 2.272 -11.061 1.00 0.00 H new ATOM 0 HB2 GLU A 63 16.960 1.485 -10.982 1.00 0.00 H new ATOM 0 HB3 GLU A 63 15.790 1.197 -12.255 1.00 0.00 H new ATOM 0 HG2 GLU A 63 15.690 3.645 -12.698 1.00 0.00 H new ATOM 0 HG3 GLU A 63 16.890 3.910 -11.448 1.00 0.00 H new ATOM 981 N ASP A 64 14.571 1.294 -8.308 1.00 0.00 N ATOM 982 CA ASP A 64 14.414 0.264 -7.293 1.00 0.00 C ATOM 983 C ASP A 64 13.080 0.392 -6.556 1.00 0.00 C ATOM 984 O ASP A 64 12.821 -0.345 -5.607 1.00 0.00 O ATOM 985 CB ASP A 64 15.567 0.349 -6.292 1.00 0.00 C ATOM 986 CG ASP A 64 16.123 -1.010 -5.929 1.00 0.00 C ATOM 987 OD1 ASP A 64 17.070 -1.068 -5.115 1.00 0.00 O ATOM 988 OD2 ASP A 64 15.629 -2.027 -6.462 1.00 0.00 O ATOM 0 H ASP A 64 14.468 2.248 -7.961 1.00 0.00 H new ATOM 0 HA ASP A 64 14.426 -0.704 -7.794 1.00 0.00 H new ATOM 0 HB2 ASP A 64 16.364 0.963 -6.712 1.00 0.00 H new ATOM 0 HB3 ASP A 64 15.222 0.850 -5.387 1.00 0.00 H new ATOM 993 N GLU A 65 12.225 1.315 -6.993 1.00 0.00 N ATOM 994 CA GLU A 65 10.939 1.535 -6.328 1.00 0.00 C ATOM 995 C GLU A 65 9.781 1.508 -7.316 1.00 0.00 C ATOM 996 O GLU A 65 8.687 1.986 -7.021 1.00 0.00 O ATOM 997 CB GLU A 65 10.978 2.872 -5.622 1.00 0.00 C ATOM 998 CG GLU A 65 11.472 2.792 -4.182 1.00 0.00 C ATOM 999 CD GLU A 65 11.062 3.992 -3.348 1.00 0.00 C ATOM 1000 OE1 GLU A 65 9.946 3.983 -2.782 1.00 0.00 O ATOM 1001 OE2 GLU A 65 11.862 4.941 -3.234 1.00 0.00 O ATOM 0 H GLU A 65 12.396 1.919 -7.797 1.00 0.00 H new ATOM 0 HA GLU A 65 10.778 0.729 -5.612 1.00 0.00 H new ATOM 0 HB2 GLU A 65 11.624 3.549 -6.181 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.978 3.306 -5.630 1.00 0.00 H new ATOM 0 HG2 GLU A 65 11.083 1.885 -3.720 1.00 0.00 H new ATOM 0 HG3 GLU A 65 12.559 2.709 -4.180 1.00 0.00 H new ATOM 1008 N SER A 66 10.075 0.972 -8.486 1.00 0.00 N ATOM 1009 CA SER A 66 9.123 0.817 -9.596 1.00 0.00 C ATOM 1010 C SER A 66 7.680 0.569 -9.127 1.00 0.00 C ATOM 1011 O SER A 66 7.372 -0.452 -8.509 1.00 0.00 O ATOM 1012 CB SER A 66 9.600 -0.335 -10.478 1.00 0.00 C ATOM 1013 OG SER A 66 11.015 -0.463 -10.416 1.00 0.00 O ATOM 0 H SER A 66 11.006 0.619 -8.707 1.00 0.00 H new ATOM 0 HA SER A 66 9.099 1.753 -10.153 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.131 -1.265 -10.155 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.290 -0.163 -11.509 1.00 0.00 H new ATOM 0 HG SER A 66 11.301 -1.207 -10.986 1.00 0.00 H new ATOM 1019 N ILE A 67 6.809 1.515 -9.455 1.00 0.00 N ATOM 1020 CA ILE A 67 5.397 1.465 -9.081 1.00 0.00 C ATOM 1021 C ILE A 67 4.552 0.813 -10.171 1.00 0.00 C ATOM 1022 O ILE A 67 4.847 0.974 -11.358 1.00 0.00 O ATOM 1023 CB ILE A 67 4.879 2.899 -8.846 1.00 0.00 C ATOM 1024 CG1 ILE A 67 5.560 3.482 -7.621 1.00 0.00 C ATOM 1025 CG2 ILE A 67 3.362 2.964 -8.696 1.00 0.00 C ATOM 1026 CD1 ILE A 67 5.162 4.904 -7.342 1.00 0.00 C ATOM 0 H ILE A 67 7.062 2.345 -9.991 1.00 0.00 H new ATOM 0 HA ILE A 67 5.312 0.869 -8.172 1.00 0.00 H new ATOM 0 HB ILE A 67 5.125 3.489 -9.729 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.320 2.868 -6.753 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.640 3.434 -7.757 1.00 0.00 H new ATOM 0 HG21 ILE A 67 3.056 3.998 -8.533 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.890 2.585 -9.602 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.054 2.356 -7.845 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.684 5.260 -6.454 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.427 5.530 -8.194 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.086 4.955 -7.175 1.00 0.00 H new ATOM 1038 N PRO A 68 3.512 0.049 -9.779 1.00 0.00 N ATOM 1039 CA PRO A 68 2.587 -0.582 -10.726 1.00 0.00 C ATOM 1040 C PRO A 68 2.112 0.408 -11.793 1.00 0.00 C ATOM 1041 O PRO A 68 1.567 1.473 -11.479 1.00 0.00 O ATOM 1042 CB PRO A 68 1.432 -1.017 -9.829 1.00 0.00 C ATOM 1043 CG PRO A 68 2.070 -1.292 -8.514 1.00 0.00 C ATOM 1044 CD PRO A 68 3.183 -0.294 -8.379 1.00 0.00 C ATOM 0 HA PRO A 68 3.039 -1.403 -11.282 1.00 0.00 H new ATOM 0 HB2 PRO A 68 0.675 -0.236 -9.748 1.00 0.00 H new ATOM 0 HB3 PRO A 68 0.935 -1.903 -10.223 1.00 0.00 H new ATOM 0 HG2 PRO A 68 1.351 -1.187 -7.702 1.00 0.00 H new ATOM 0 HG3 PRO A 68 2.453 -2.312 -8.471 1.00 0.00 H new ATOM 0 HD2 PRO A 68 2.869 0.584 -7.814 1.00 0.00 H new ATOM 0 HD3 PRO A 68 4.041 -0.718 -7.858 1.00 0.00 H new ATOM 1052 N GLU A 69 2.322 0.041 -13.049 1.00 0.00 N ATOM 1053 CA GLU A 69 1.968 0.880 -14.196 1.00 0.00 C ATOM 1054 C GLU A 69 0.471 1.189 -14.297 1.00 0.00 C ATOM 1055 O GLU A 69 0.057 1.961 -15.161 1.00 0.00 O ATOM 1056 CB GLU A 69 2.444 0.214 -15.487 1.00 0.00 C ATOM 1057 CG GLU A 69 3.952 0.264 -15.673 1.00 0.00 C ATOM 1058 CD GLU A 69 4.492 -0.950 -16.406 1.00 0.00 C ATOM 1059 OE1 GLU A 69 5.088 -1.825 -15.744 1.00 0.00 O ATOM 1060 OE2 GLU A 69 4.330 -1.034 -17.640 1.00 0.00 O ATOM 0 H GLU A 69 2.745 -0.851 -13.307 1.00 0.00 H new ATOM 0 HA GLU A 69 2.470 1.836 -14.045 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.119 -0.827 -15.491 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.964 0.701 -16.336 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.216 1.165 -16.227 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.432 0.338 -14.697 1.00 0.00 H new ATOM 1067 N GLU A 70 -0.343 0.602 -13.433 1.00 0.00 N ATOM 1068 CA GLU A 70 -1.778 0.855 -13.470 1.00 0.00 C ATOM 1069 C GLU A 70 -2.198 1.873 -12.411 1.00 0.00 C ATOM 1070 O GLU A 70 -3.323 2.370 -12.438 1.00 0.00 O ATOM 1071 CB GLU A 70 -2.572 -0.446 -13.294 1.00 0.00 C ATOM 1072 CG GLU A 70 -2.086 -1.316 -12.149 1.00 0.00 C ATOM 1073 CD GLU A 70 -1.077 -2.348 -12.603 1.00 0.00 C ATOM 1074 OE1 GLU A 70 -1.459 -3.280 -13.337 1.00 0.00 O ATOM 1075 OE2 GLU A 70 0.099 -2.238 -12.219 1.00 0.00 O ATOM 0 H GLU A 70 -0.041 -0.046 -12.705 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.004 1.273 -14.451 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.621 -0.200 -13.130 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.520 -1.019 -14.220 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.638 -0.686 -11.381 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.937 -1.820 -11.691 1.00 0.00 H new ATOM 1082 N ILE A 71 -1.300 2.201 -11.484 1.00 0.00 N ATOM 1083 CA ILE A 71 -1.625 3.159 -10.428 1.00 0.00 C ATOM 1084 C ILE A 71 -0.688 4.366 -10.459 1.00 0.00 C ATOM 1085 O ILE A 71 -1.019 5.437 -9.951 1.00 0.00 O ATOM 1086 CB ILE A 71 -1.556 2.500 -9.032 1.00 0.00 C ATOM 1087 CG1 ILE A 71 -0.114 2.121 -8.685 1.00 0.00 C ATOM 1088 CG2 ILE A 71 -2.456 1.273 -8.979 1.00 0.00 C ATOM 1089 CD1 ILE A 71 0.054 1.590 -7.280 1.00 0.00 C ATOM 0 H ILE A 71 -0.353 1.824 -11.441 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.644 3.497 -10.615 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.908 3.221 -8.294 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.235 1.368 -9.392 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.523 2.997 -8.811 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.396 0.820 -7.989 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.486 1.568 -9.181 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.131 0.551 -9.728 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.101 1.343 -7.107 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.263 2.348 -6.564 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.555 0.695 -7.154 1.00 0.00 H new ATOM 1101 N ILE A 72 0.467 4.175 -11.080 1.00 0.00 N ATOM 1102 CA ILE A 72 1.514 5.196 -11.192 1.00 0.00 C ATOM 1103 C ILE A 72 1.027 6.481 -11.848 1.00 0.00 C ATOM 1104 O ILE A 72 1.610 7.549 -11.656 1.00 0.00 O ATOM 1105 CB ILE A 72 2.683 4.608 -11.993 1.00 0.00 C ATOM 1106 CG1 ILE A 72 3.988 5.389 -11.759 1.00 0.00 C ATOM 1107 CG2 ILE A 72 2.347 4.513 -13.479 1.00 0.00 C ATOM 1108 CD1 ILE A 72 4.357 6.367 -12.863 1.00 0.00 C ATOM 0 H ILE A 72 0.713 3.293 -11.530 1.00 0.00 H new ATOM 0 HA ILE A 72 1.827 5.467 -10.184 1.00 0.00 H new ATOM 0 HB ILE A 72 2.847 3.594 -11.627 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.902 5.938 -10.821 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.804 4.676 -11.638 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.196 4.093 -14.018 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.477 3.871 -13.615 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.128 5.508 -13.867 1.00 0.00 H new ATOM 0 HD11 ILE A 72 5.290 6.869 -12.608 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.480 5.827 -13.802 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.565 7.108 -12.972 1.00 0.00 H new ATOM 1120 N ASN A 73 -0.041 6.389 -12.610 1.00 0.00 N ATOM 1121 CA ASN A 73 -0.567 7.552 -13.286 1.00 0.00 C ATOM 1122 C ASN A 73 -1.847 8.028 -12.624 1.00 0.00 C ATOM 1123 O ASN A 73 -2.606 8.809 -13.198 1.00 0.00 O ATOM 1124 CB ASN A 73 -0.811 7.224 -14.755 1.00 0.00 C ATOM 1125 CG ASN A 73 -0.061 8.152 -15.689 1.00 0.00 C ATOM 1126 OD1 ASN A 73 -0.077 9.370 -15.520 1.00 0.00 O ATOM 1127 ND2 ASN A 73 0.603 7.579 -16.683 1.00 0.00 N ATOM 0 H ASN A 73 -0.559 5.526 -12.776 1.00 0.00 H new ATOM 0 HA ASN A 73 0.163 8.359 -13.218 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -0.508 6.195 -14.949 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.879 7.287 -14.966 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.127 8.153 -17.344 1.00 0.00 H new ATOM 0 HD22 ASN A 73 0.590 6.564 -16.787 1.00 0.00 H new ATOM 1134 N GLY A 74 -2.084 7.569 -11.401 1.00 0.00 N ATOM 1135 CA GLY A 74 -3.301 7.974 -10.704 1.00 0.00 C ATOM 1136 C GLY A 74 -3.087 8.391 -9.265 1.00 0.00 C ATOM 1137 O GLY A 74 -3.975 8.184 -8.436 1.00 0.00 O ATOM 0 H GLY A 74 -1.473 6.937 -10.884 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -3.757 8.803 -11.246 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -4.011 7.148 -10.728 1.00 0.00 H new ATOM 1141 N LYS A 75 -1.941 9.021 -8.987 1.00 0.00 N ATOM 1142 CA LYS A 75 -1.589 9.465 -7.634 1.00 0.00 C ATOM 1143 C LYS A 75 -1.569 8.276 -6.686 1.00 0.00 C ATOM 1144 O LYS A 75 -2.612 7.772 -6.260 1.00 0.00 O ATOM 1145 CB LYS A 75 -2.547 10.549 -7.131 1.00 0.00 C ATOM 1146 CG LYS A 75 -1.968 11.406 -6.018 1.00 0.00 C ATOM 1147 CD LYS A 75 -1.739 12.837 -6.489 1.00 0.00 C ATOM 1148 CE LYS A 75 -1.063 13.679 -5.421 1.00 0.00 C ATOM 1149 NZ LYS A 75 -0.953 15.107 -5.829 1.00 0.00 N ATOM 0 H LYS A 75 -1.234 9.237 -9.690 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.593 9.905 -7.668 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.825 11.192 -7.966 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.462 10.076 -6.775 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.646 11.405 -5.164 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.026 10.977 -5.677 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.125 12.830 -7.389 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.694 13.289 -6.758 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.628 13.609 -4.492 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.068 13.281 -5.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.486 15.649 -5.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.392 15.176 -6.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.904 15.494 -5.996 1.00 0.00 H new ATOM 1163 N CYS A 76 -0.384 7.845 -6.322 1.00 0.00 N ATOM 1164 CA CYS A 76 -0.266 6.677 -5.465 1.00 0.00 C ATOM 1165 C CYS A 76 0.082 7.085 -4.054 1.00 0.00 C ATOM 1166 O CYS A 76 0.335 8.255 -3.777 1.00 0.00 O ATOM 1167 CB CYS A 76 0.792 5.704 -5.992 1.00 0.00 C ATOM 1168 SG CYS A 76 0.855 5.571 -7.788 1.00 0.00 S ATOM 0 H CYS A 76 0.500 8.273 -6.597 1.00 0.00 H new ATOM 0 HA CYS A 76 -1.232 6.173 -5.466 1.00 0.00 H new ATOM 0 HB2 CYS A 76 1.770 6.019 -5.629 1.00 0.00 H new ATOM 0 HB3 CYS A 76 0.600 4.716 -5.574 1.00 0.00 H new ATOM 0 HG CYS A 76 1.561 6.550 -8.271 1.00 0.00 H new ATOM 1174 N PHE A 77 0.069 6.116 -3.166 1.00 0.00 N ATOM 1175 CA PHE A 77 0.393 6.352 -1.783 1.00 0.00 C ATOM 1176 C PHE A 77 1.141 5.162 -1.228 1.00 0.00 C ATOM 1177 O PHE A 77 0.604 4.061 -1.145 1.00 0.00 O ATOM 1178 CB PHE A 77 -0.875 6.614 -0.966 1.00 0.00 C ATOM 1179 CG PHE A 77 -1.564 7.889 -1.346 1.00 0.00 C ATOM 1180 CD1 PHE A 77 -0.986 9.110 -1.048 1.00 0.00 C ATOM 1181 CD2 PHE A 77 -2.775 7.870 -2.016 1.00 0.00 C ATOM 1182 CE1 PHE A 77 -1.597 10.288 -1.412 1.00 0.00 C ATOM 1183 CE2 PHE A 77 -3.395 9.048 -2.378 1.00 0.00 C ATOM 1184 CZ PHE A 77 -2.803 10.257 -2.080 1.00 0.00 C ATOM 0 H PHE A 77 -0.166 5.148 -3.384 1.00 0.00 H new ATOM 0 HA PHE A 77 1.026 7.237 -1.715 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.565 5.781 -1.100 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.618 6.648 0.093 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.043 9.139 -0.523 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.239 6.925 -2.257 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -1.133 11.234 -1.175 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -4.343 9.023 -2.894 1.00 0.00 H new ATOM 0 HZ PHE A 77 -3.284 11.180 -2.370 1.00 0.00 H new ATOM 1194 N PHE A 78 2.395 5.372 -0.887 1.00 0.00 N ATOM 1195 CA PHE A 78 3.182 4.304 -0.314 1.00 0.00 C ATOM 1196 C PHE A 78 2.853 4.262 1.156 1.00 0.00 C ATOM 1197 O PHE A 78 3.363 5.054 1.945 1.00 0.00 O ATOM 1198 CB PHE A 78 4.678 4.532 -0.526 1.00 0.00 C ATOM 1199 CG PHE A 78 5.533 3.371 -0.099 1.00 0.00 C ATOM 1200 CD1 PHE A 78 5.628 2.239 -0.892 1.00 0.00 C ATOM 1201 CD2 PHE A 78 6.246 3.413 1.089 1.00 0.00 C ATOM 1202 CE1 PHE A 78 6.415 1.170 -0.510 1.00 0.00 C ATOM 1203 CE2 PHE A 78 7.036 2.347 1.476 1.00 0.00 C ATOM 1204 CZ PHE A 78 7.120 1.225 0.675 1.00 0.00 C ATOM 0 H PHE A 78 2.885 6.260 -0.995 1.00 0.00 H new ATOM 0 HA PHE A 78 2.944 3.357 -0.799 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.859 4.737 -1.581 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.983 5.420 0.028 1.00 0.00 H new ATOM 0 HD1 PHE A 78 5.079 2.192 -1.821 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.184 4.288 1.719 1.00 0.00 H new ATOM 0 HE1 PHE A 78 6.478 0.293 -1.137 1.00 0.00 H new ATOM 0 HE2 PHE A 78 7.587 2.391 2.404 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.737 0.391 0.976 1.00 0.00 H new ATOM 1214 N ILE A 79 1.960 3.369 1.507 1.00 0.00 N ATOM 1215 CA ILE A 79 1.523 3.257 2.874 1.00 0.00 C ATOM 1216 C ILE A 79 2.130 2.078 3.559 1.00 0.00 C ATOM 1217 O ILE A 79 2.702 1.175 2.950 1.00 0.00 O ATOM 1218 CB ILE A 79 0.002 3.092 2.991 1.00 0.00 C ATOM 1219 CG1 ILE A 79 -0.380 1.667 2.594 1.00 0.00 C ATOM 1220 CG2 ILE A 79 -0.730 4.132 2.162 1.00 0.00 C ATOM 1221 CD1 ILE A 79 -1.804 1.523 2.140 1.00 0.00 C ATOM 0 H ILE A 79 1.522 2.710 0.863 1.00 0.00 H new ATOM 0 HA ILE A 79 1.842 4.187 3.344 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.302 3.256 4.025 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.281 1.333 1.794 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.211 1.006 3.444 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.806 3.989 2.266 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.462 5.129 2.510 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.449 4.026 1.114 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.998 0.484 1.876 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.475 1.824 2.945 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.974 2.157 1.270 1.00 0.00 H new ATOM 1233 N HIS A 80 1.957 2.115 4.841 1.00 0.00 N ATOM 1234 CA HIS A 80 2.386 1.081 5.712 1.00 0.00 C ATOM 1235 C HIS A 80 1.156 0.658 6.488 1.00 0.00 C ATOM 1236 O HIS A 80 0.595 1.459 7.246 1.00 0.00 O ATOM 1237 CB HIS A 80 3.499 1.619 6.606 1.00 0.00 C ATOM 1238 CG HIS A 80 3.564 0.994 7.957 1.00 0.00 C ATOM 1239 ND1 HIS A 80 4.181 -0.209 8.217 1.00 0.00 N ATOM 1240 CD2 HIS A 80 3.059 1.422 9.128 1.00 0.00 C ATOM 1241 CE1 HIS A 80 4.047 -0.494 9.501 1.00 0.00 C ATOM 1242 NE2 HIS A 80 3.368 0.483 10.080 1.00 0.00 N ATOM 0 H HIS A 80 1.499 2.891 5.320 1.00 0.00 H new ATOM 0 HA HIS A 80 2.800 0.218 5.191 1.00 0.00 H new ATOM 0 HB2 HIS A 80 4.455 1.469 6.104 1.00 0.00 H new ATOM 0 HB3 HIS A 80 3.365 2.694 6.723 1.00 0.00 H new ATOM 0 HD1 HIS A 80 4.664 -0.787 7.529 1.00 0.00 H new ATOM 0 HD2 HIS A 80 2.510 2.338 9.290 1.00 0.00 H new ATOM 0 HE1 HIS A 80 4.428 -1.376 9.994 1.00 0.00 H new ATOM 1251 N TYR A 81 0.689 -0.553 6.237 1.00 0.00 N ATOM 1252 CA TYR A 81 -0.499 -1.058 6.901 1.00 0.00 C ATOM 1253 C TYR A 81 -0.363 -0.903 8.413 1.00 0.00 C ATOM 1254 O TYR A 81 0.517 -1.495 9.033 1.00 0.00 O ATOM 1255 CB TYR A 81 -0.747 -2.510 6.518 1.00 0.00 C ATOM 1256 CG TYR A 81 -1.279 -2.688 5.111 1.00 0.00 C ATOM 1257 CD1 TYR A 81 -0.415 -2.863 4.040 1.00 0.00 C ATOM 1258 CD2 TYR A 81 -2.645 -2.689 4.855 1.00 0.00 C ATOM 1259 CE1 TYR A 81 -0.892 -3.034 2.755 1.00 0.00 C ATOM 1260 CE2 TYR A 81 -3.131 -2.857 3.571 1.00 0.00 C ATOM 1261 CZ TYR A 81 -2.249 -3.031 2.525 1.00 0.00 C ATOM 1262 OH TYR A 81 -2.725 -3.205 1.245 1.00 0.00 O ATOM 0 H TYR A 81 1.115 -1.205 5.578 1.00 0.00 H new ATOM 0 HA TYR A 81 -1.360 -0.474 6.575 1.00 0.00 H new ATOM 0 HB2 TYR A 81 0.185 -3.067 6.617 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -1.455 -2.946 7.222 1.00 0.00 H new ATOM 0 HD1 TYR A 81 0.651 -2.866 4.214 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -3.339 -2.556 5.672 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -0.203 -3.169 1.934 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -4.195 -2.852 3.388 1.00 0.00 H new ATOM 0 HH TYR A 81 -3.705 -3.179 1.254 1.00 0.00 H new ATOM 1272 N GLN A 82 -1.234 -0.083 8.980 1.00 0.00 N ATOM 1273 CA GLN A 82 -1.229 0.208 10.415 1.00 0.00 C ATOM 1274 C GLN A 82 -1.341 -1.057 11.260 1.00 0.00 C ATOM 1275 O GLN A 82 -0.788 -1.126 12.357 1.00 0.00 O ATOM 1276 CB GLN A 82 -2.368 1.169 10.758 1.00 0.00 C ATOM 1277 CG GLN A 82 -2.100 2.607 10.341 1.00 0.00 C ATOM 1278 CD GLN A 82 -1.566 3.451 11.478 1.00 0.00 C ATOM 1279 OE1 GLN A 82 -0.357 3.556 11.679 1.00 0.00 O ATOM 1280 NE2 GLN A 82 -2.467 4.058 12.234 1.00 0.00 N ATOM 0 H GLN A 82 -1.967 0.402 8.463 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.272 0.674 10.650 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -3.281 0.824 10.274 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -2.546 1.139 11.833 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -1.384 2.616 9.519 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -3.022 3.051 9.966 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -3.461 3.945 12.033 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -2.168 4.639 13.017 1.00 0.00 H new ATOM 1289 N GLY A 83 -2.044 -2.054 10.743 1.00 0.00 N ATOM 1290 CA GLY A 83 -2.211 -3.296 11.474 1.00 0.00 C ATOM 1291 C GLY A 83 -1.195 -4.354 11.085 1.00 0.00 C ATOM 1292 O GLY A 83 -1.391 -5.538 11.367 1.00 0.00 O ATOM 0 H GLY A 83 -2.502 -2.027 9.832 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -2.129 -3.096 12.542 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.215 -3.682 11.299 1.00 0.00 H new ATOM 1296 N TRP A 84 -0.116 -3.936 10.433 1.00 0.00 N ATOM 1297 CA TRP A 84 0.931 -4.859 10.006 1.00 0.00 C ATOM 1298 C TRP A 84 2.313 -4.240 10.205 1.00 0.00 C ATOM 1299 O TRP A 84 2.443 -3.148 10.764 1.00 0.00 O ATOM 1300 CB TRP A 84 0.748 -5.244 8.532 1.00 0.00 C ATOM 1301 CG TRP A 84 -0.556 -5.924 8.228 1.00 0.00 C ATOM 1302 CD1 TRP A 84 -1.685 -5.336 7.745 1.00 0.00 C ATOM 1303 CD2 TRP A 84 -0.862 -7.314 8.381 1.00 0.00 C ATOM 1304 NE1 TRP A 84 -2.679 -6.270 7.590 1.00 0.00 N ATOM 1305 CE2 TRP A 84 -2.197 -7.494 7.975 1.00 0.00 C ATOM 1306 CE3 TRP A 84 -0.137 -8.421 8.822 1.00 0.00 C ATOM 1307 CZ2 TRP A 84 -2.820 -8.741 7.995 1.00 0.00 C ATOM 1308 CZ3 TRP A 84 -0.755 -9.656 8.844 1.00 0.00 C ATOM 1309 CH2 TRP A 84 -2.085 -9.807 8.433 1.00 0.00 C ATOM 0 H TRP A 84 0.058 -2.961 10.188 1.00 0.00 H new ATOM 0 HA TRP A 84 0.853 -5.757 10.620 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.826 -4.345 7.921 1.00 0.00 H new ATOM 0 HB3 TRP A 84 1.565 -5.902 8.236 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -1.784 -4.285 7.517 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -3.621 -6.084 7.245 1.00 0.00 H new ATOM 0 HE3 TRP A 84 0.889 -8.314 9.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -3.845 -8.860 7.676 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -0.203 -10.520 9.184 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -2.540 -10.786 8.463 1.00 0.00 H new ATOM 1320 N LYS A 85 3.342 -4.944 9.745 1.00 0.00 N ATOM 1321 CA LYS A 85 4.719 -4.470 9.864 1.00 0.00 C ATOM 1322 C LYS A 85 5.157 -3.778 8.571 1.00 0.00 C ATOM 1323 O LYS A 85 4.390 -3.709 7.610 1.00 0.00 O ATOM 1324 CB LYS A 85 5.653 -5.639 10.189 1.00 0.00 C ATOM 1325 CG LYS A 85 5.528 -6.802 9.221 1.00 0.00 C ATOM 1326 CD LYS A 85 6.272 -8.027 9.722 1.00 0.00 C ATOM 1327 CE LYS A 85 6.140 -9.192 8.752 1.00 0.00 C ATOM 1328 NZ LYS A 85 6.976 -10.350 9.159 1.00 0.00 N ATOM 0 H LYS A 85 3.249 -5.849 9.284 1.00 0.00 H new ATOM 0 HA LYS A 85 4.772 -3.746 10.677 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.683 -5.283 10.185 1.00 0.00 H new ATOM 0 HB3 LYS A 85 5.442 -5.992 11.198 1.00 0.00 H new ATOM 0 HG2 LYS A 85 4.475 -7.047 9.080 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.921 -6.510 8.247 1.00 0.00 H new ATOM 0 HD2 LYS A 85 7.326 -7.784 9.860 1.00 0.00 H new ATOM 0 HD3 LYS A 85 5.882 -8.318 10.697 1.00 0.00 H new ATOM 0 HE2 LYS A 85 5.096 -9.500 8.695 1.00 0.00 H new ATOM 0 HE3 LYS A 85 6.431 -8.867 7.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 6.858 -11.122 8.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 7.975 -10.063 9.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.681 -10.677 10.101 1.00 0.00 H new ATOM 1342 N SER A 86 6.396 -3.287 8.540 1.00 0.00 N ATOM 1343 CA SER A 86 6.924 -2.593 7.363 1.00 0.00 C ATOM 1344 C SER A 86 7.104 -3.534 6.170 1.00 0.00 C ATOM 1345 O SER A 86 7.372 -3.090 5.059 1.00 0.00 O ATOM 1346 CB SER A 86 8.244 -1.897 7.698 1.00 0.00 C ATOM 1347 OG SER A 86 8.012 -0.579 8.172 1.00 0.00 O ATOM 0 H SER A 86 7.054 -3.357 9.316 1.00 0.00 H new ATOM 0 HA SER A 86 6.189 -1.842 7.075 1.00 0.00 H new ATOM 0 HB2 SER A 86 8.782 -2.471 8.453 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.878 -1.863 6.812 1.00 0.00 H new ATOM 0 HG SER A 86 8.868 -0.152 8.382 1.00 0.00 H new ATOM 1353 N SER A 87 6.954 -4.833 6.393 1.00 0.00 N ATOM 1354 CA SER A 87 7.079 -5.806 5.319 1.00 0.00 C ATOM 1355 C SER A 87 5.806 -5.826 4.473 1.00 0.00 C ATOM 1356 O SER A 87 5.716 -6.544 3.476 1.00 0.00 O ATOM 1357 CB SER A 87 7.350 -7.186 5.906 1.00 0.00 C ATOM 1358 OG SER A 87 7.944 -7.071 7.190 1.00 0.00 O ATOM 0 H SER A 87 6.746 -5.236 7.307 1.00 0.00 H new ATOM 0 HA SER A 87 7.914 -5.525 4.677 1.00 0.00 H new ATOM 0 HB2 SER A 87 6.418 -7.746 5.979 1.00 0.00 H new ATOM 0 HB3 SER A 87 8.008 -7.747 5.243 1.00 0.00 H new ATOM 0 HG SER A 87 8.395 -7.910 7.418 1.00 0.00 H new ATOM 1364 N TRP A 88 4.821 -5.036 4.887 1.00 0.00 N ATOM 1365 CA TRP A 88 3.553 -4.949 4.178 1.00 0.00 C ATOM 1366 C TRP A 88 3.412 -3.584 3.518 1.00 0.00 C ATOM 1367 O TRP A 88 2.379 -3.274 2.927 1.00 0.00 O ATOM 1368 CB TRP A 88 2.381 -5.188 5.134 1.00 0.00 C ATOM 1369 CG TRP A 88 2.196 -6.623 5.513 1.00 0.00 C ATOM 1370 CD1 TRP A 88 2.874 -7.306 6.476 1.00 0.00 C ATOM 1371 CD2 TRP A 88 1.259 -7.545 4.950 1.00 0.00 C ATOM 1372 NE1 TRP A 88 2.424 -8.599 6.544 1.00 0.00 N ATOM 1373 CE2 TRP A 88 1.431 -8.773 5.616 1.00 0.00 C ATOM 1374 CE3 TRP A 88 0.292 -7.454 3.948 1.00 0.00 C ATOM 1375 CZ2 TRP A 88 0.670 -9.897 5.311 1.00 0.00 C ATOM 1376 CZ3 TRP A 88 -0.462 -8.571 3.645 1.00 0.00 C ATOM 1377 CH2 TRP A 88 -0.270 -9.780 4.325 1.00 0.00 C ATOM 0 H TRP A 88 4.879 -4.444 5.716 1.00 0.00 H new ATOM 0 HA TRP A 88 3.538 -5.721 3.409 1.00 0.00 H new ATOM 0 HB2 TRP A 88 2.536 -4.600 6.038 1.00 0.00 H new ATOM 0 HB3 TRP A 88 1.465 -4.823 4.670 1.00 0.00 H new ATOM 0 HD1 TRP A 88 3.654 -6.889 7.097 1.00 0.00 H new ATOM 0 HE1 TRP A 88 2.772 -9.315 7.182 1.00 0.00 H new ATOM 0 HE3 TRP A 88 0.136 -6.526 3.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 0.817 -10.830 5.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -1.212 -8.511 2.871 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -0.876 -10.636 4.066 1.00 0.00 H new ATOM 1388 N ASP A 89 4.452 -2.769 3.636 1.00 0.00 N ATOM 1389 CA ASP A 89 4.452 -1.435 3.048 1.00 0.00 C ATOM 1390 C ASP A 89 4.369 -1.550 1.528 1.00 0.00 C ATOM 1391 O ASP A 89 5.296 -2.050 0.885 1.00 0.00 O ATOM 1392 CB ASP A 89 5.709 -0.664 3.470 1.00 0.00 C ATOM 1393 CG ASP A 89 5.721 -0.309 4.954 1.00 0.00 C ATOM 1394 OD1 ASP A 89 6.429 0.645 5.338 1.00 0.00 O ATOM 1395 OD2 ASP A 89 5.024 -0.987 5.748 1.00 0.00 O ATOM 0 H ASP A 89 5.309 -3.009 4.135 1.00 0.00 H new ATOM 0 HA ASP A 89 3.584 -0.882 3.408 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.590 -1.262 3.238 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.781 0.251 2.883 1.00 0.00 H new ATOM 1400 N GLU A 90 3.256 -1.093 0.962 1.00 0.00 N ATOM 1401 CA GLU A 90 3.024 -1.184 -0.476 1.00 0.00 C ATOM 1402 C GLU A 90 2.481 0.127 -1.049 1.00 0.00 C ATOM 1403 O GLU A 90 2.117 1.045 -0.307 1.00 0.00 O ATOM 1404 CB GLU A 90 2.026 -2.314 -0.763 1.00 0.00 C ATOM 1405 CG GLU A 90 2.615 -3.713 -0.663 1.00 0.00 C ATOM 1406 CD GLU A 90 3.327 -4.133 -1.931 1.00 0.00 C ATOM 1407 OE1 GLU A 90 4.493 -4.563 -1.854 1.00 0.00 O ATOM 1408 OE2 GLU A 90 2.721 -4.030 -3.019 1.00 0.00 O ATOM 0 H GLU A 90 2.496 -0.653 1.481 1.00 0.00 H new ATOM 0 HA GLU A 90 3.981 -1.391 -0.955 1.00 0.00 H new ATOM 0 HB2 GLU A 90 1.193 -2.233 -0.065 1.00 0.00 H new ATOM 0 HB3 GLU A 90 1.617 -2.176 -1.764 1.00 0.00 H new ATOM 0 HG2 GLU A 90 3.314 -3.751 0.172 1.00 0.00 H new ATOM 0 HG3 GLU A 90 1.819 -4.424 -0.444 1.00 0.00 H new ATOM 1415 N TRP A 91 2.425 0.192 -2.376 1.00 0.00 N ATOM 1416 CA TRP A 91 1.921 1.363 -3.082 1.00 0.00 C ATOM 1417 C TRP A 91 0.433 1.213 -3.396 1.00 0.00 C ATOM 1418 O TRP A 91 0.045 0.351 -4.182 1.00 0.00 O ATOM 1419 CB TRP A 91 2.651 1.554 -4.415 1.00 0.00 C ATOM 1420 CG TRP A 91 4.011 2.177 -4.333 1.00 0.00 C ATOM 1421 CD1 TRP A 91 5.209 1.532 -4.457 1.00 0.00 C ATOM 1422 CD2 TRP A 91 4.318 3.566 -4.145 1.00 0.00 C ATOM 1423 NE1 TRP A 91 6.239 2.433 -4.377 1.00 0.00 N ATOM 1424 CE2 TRP A 91 5.722 3.686 -4.181 1.00 0.00 C ATOM 1425 CE3 TRP A 91 3.552 4.724 -3.955 1.00 0.00 C ATOM 1426 CZ2 TRP A 91 6.367 4.912 -4.036 1.00 0.00 C ATOM 1427 CZ3 TRP A 91 4.203 5.939 -3.811 1.00 0.00 C ATOM 1428 CH2 TRP A 91 5.597 6.021 -3.856 1.00 0.00 C ATOM 0 H TRP A 91 2.727 -0.564 -2.990 1.00 0.00 H new ATOM 0 HA TRP A 91 2.088 2.220 -2.430 1.00 0.00 H new ATOM 0 HB2 TRP A 91 2.747 0.581 -4.897 1.00 0.00 H new ATOM 0 HB3 TRP A 91 2.028 2.171 -5.063 1.00 0.00 H new ATOM 0 HD1 TRP A 91 5.327 0.468 -4.598 1.00 0.00 H new ATOM 0 HE1 TRP A 91 7.231 2.207 -4.451 1.00 0.00 H new ATOM 0 HE3 TRP A 91 2.474 4.671 -3.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 7.444 4.981 -4.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 3.623 6.838 -3.661 1.00 0.00 H new ATOM 0 HH2 TRP A 91 6.074 6.984 -3.746 1.00 0.00 H new ATOM 1439 N VAL A 92 -0.393 2.031 -2.769 1.00 0.00 N ATOM 1440 CA VAL A 92 -1.826 2.022 -3.044 1.00 0.00 C ATOM 1441 C VAL A 92 -2.153 3.258 -3.860 1.00 0.00 C ATOM 1442 O VAL A 92 -1.251 3.949 -4.323 1.00 0.00 O ATOM 1443 CB VAL A 92 -2.692 1.998 -1.768 1.00 0.00 C ATOM 1444 CG1 VAL A 92 -2.554 0.659 -1.068 1.00 0.00 C ATOM 1445 CG2 VAL A 92 -2.323 3.141 -0.841 1.00 0.00 C ATOM 0 H VAL A 92 -0.101 2.710 -2.066 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.059 1.106 -3.587 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.736 2.130 -2.053 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.170 0.653 -0.169 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.882 -0.137 -1.737 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.511 0.497 -0.795 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.948 3.102 0.051 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.275 3.053 -0.554 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.481 4.090 -1.353 1.00 0.00 H new ATOM 1455 N GLY A 93 -3.425 3.544 -4.039 1.00 0.00 N ATOM 1456 CA GLY A 93 -3.797 4.712 -4.801 1.00 0.00 C ATOM 1457 C GLY A 93 -5.238 5.065 -4.585 1.00 0.00 C ATOM 1458 O GLY A 93 -5.958 4.301 -3.951 1.00 0.00 O ATOM 0 H GLY A 93 -4.204 2.995 -3.675 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.167 5.553 -4.513 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -3.620 4.529 -5.861 1.00 0.00 H new ATOM 1462 N TYR A 94 -5.671 6.186 -5.147 1.00 0.00 N ATOM 1463 CA TYR A 94 -7.055 6.660 -5.014 1.00 0.00 C ATOM 1464 C TYR A 94 -8.061 5.638 -5.540 1.00 0.00 C ATOM 1465 O TYR A 94 -9.272 5.803 -5.408 1.00 0.00 O ATOM 1466 CB TYR A 94 -7.221 7.965 -5.782 1.00 0.00 C ATOM 1467 CG TYR A 94 -6.692 9.166 -5.052 1.00 0.00 C ATOM 1468 CD1 TYR A 94 -7.195 9.523 -3.813 1.00 0.00 C ATOM 1469 CD2 TYR A 94 -5.691 9.946 -5.603 1.00 0.00 C ATOM 1470 CE1 TYR A 94 -6.712 10.622 -3.138 1.00 0.00 C ATOM 1471 CE2 TYR A 94 -5.199 11.048 -4.939 1.00 0.00 C ATOM 1472 CZ TYR A 94 -5.714 11.387 -3.704 1.00 0.00 C ATOM 1473 OH TYR A 94 -5.227 12.488 -3.030 1.00 0.00 O ATOM 0 H TYR A 94 -5.078 6.797 -5.709 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.252 6.813 -3.953 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -6.710 7.880 -6.741 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -8.279 8.118 -5.997 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.980 8.929 -3.368 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -5.288 9.686 -6.571 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.113 10.883 -2.170 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -4.415 11.644 -5.382 1.00 0.00 H new ATOM 0 HH TYR A 94 -4.527 12.916 -3.566 1.00 0.00 H new ATOM 1483 N ASP A 95 -7.533 4.582 -6.119 1.00 0.00 N ATOM 1484 CA ASP A 95 -8.337 3.510 -6.697 1.00 0.00 C ATOM 1485 C ASP A 95 -8.676 2.454 -5.647 1.00 0.00 C ATOM 1486 O ASP A 95 -9.685 1.761 -5.749 1.00 0.00 O ATOM 1487 CB ASP A 95 -7.573 2.884 -7.872 1.00 0.00 C ATOM 1488 CG ASP A 95 -8.195 1.598 -8.388 1.00 0.00 C ATOM 1489 OD1 ASP A 95 -7.604 0.522 -8.168 1.00 0.00 O ATOM 1490 OD2 ASP A 95 -9.268 1.657 -9.022 1.00 0.00 O ATOM 0 H ASP A 95 -6.527 4.435 -6.206 1.00 0.00 H new ATOM 0 HA ASP A 95 -9.278 3.925 -7.059 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -7.523 3.606 -8.687 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -6.548 2.682 -7.561 1.00 0.00 H new ATOM 1495 N ARG A 96 -7.840 2.356 -4.617 1.00 0.00 N ATOM 1496 CA ARG A 96 -8.050 1.371 -3.557 1.00 0.00 C ATOM 1497 C ARG A 96 -7.961 2.003 -2.173 1.00 0.00 C ATOM 1498 O ARG A 96 -8.319 1.380 -1.174 1.00 0.00 O ATOM 1499 CB ARG A 96 -7.008 0.251 -3.656 1.00 0.00 C ATOM 1500 CG ARG A 96 -6.998 -0.468 -4.993 1.00 0.00 C ATOM 1501 CD ARG A 96 -8.253 -1.299 -5.190 1.00 0.00 C ATOM 1502 NE ARG A 96 -8.730 -1.239 -6.566 1.00 0.00 N ATOM 1503 CZ ARG A 96 -9.676 -2.026 -7.072 1.00 0.00 C ATOM 1504 NH1 ARG A 96 -10.275 -2.940 -6.312 1.00 0.00 N ATOM 1505 NH2 ARG A 96 -10.026 -1.894 -8.342 1.00 0.00 N ATOM 0 H ARG A 96 -7.015 2.943 -4.493 1.00 0.00 H new ATOM 0 HA ARG A 96 -9.052 0.964 -3.692 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -6.019 0.672 -3.474 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -7.195 -0.476 -2.866 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -6.914 0.262 -5.798 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -6.121 -1.112 -5.054 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -8.049 -2.335 -4.921 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -9.034 -0.943 -4.518 1.00 0.00 H new ATOM 0 HE ARG A 96 -8.309 -0.545 -7.184 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -10.010 -3.042 -5.332 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -10.999 -3.539 -6.709 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -9.571 -1.192 -8.926 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -10.750 -2.494 -8.736 1.00 0.00 H new ATOM 1519 N ILE A 97 -7.487 3.233 -2.112 1.00 0.00 N ATOM 1520 CA ILE A 97 -7.326 3.920 -0.845 1.00 0.00 C ATOM 1521 C ILE A 97 -8.574 4.720 -0.476 1.00 0.00 C ATOM 1522 O ILE A 97 -9.312 5.202 -1.339 1.00 0.00 O ATOM 1523 CB ILE A 97 -6.084 4.838 -0.873 1.00 0.00 C ATOM 1524 CG1 ILE A 97 -5.594 5.128 0.534 1.00 0.00 C ATOM 1525 CG2 ILE A 97 -6.389 6.134 -1.581 1.00 0.00 C ATOM 1526 CD1 ILE A 97 -4.234 5.791 0.583 1.00 0.00 C ATOM 0 H ILE A 97 -7.206 3.778 -2.927 1.00 0.00 H new ATOM 0 HA ILE A 97 -7.180 3.160 -0.078 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.299 4.314 -1.419 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -6.319 5.769 1.036 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -5.553 4.194 1.094 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -5.499 6.763 -1.588 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.694 5.925 -2.607 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -7.195 6.652 -1.061 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -3.952 5.966 1.621 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -3.496 5.143 0.111 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -4.274 6.742 0.052 1.00 0.00 H new ATOM 1538 N ARG A 98 -8.806 4.815 0.822 1.00 0.00 N ATOM 1539 CA ARG A 98 -9.939 5.531 1.390 1.00 0.00 C ATOM 1540 C ARG A 98 -9.446 6.416 2.529 1.00 0.00 C ATOM 1541 O ARG A 98 -8.284 6.332 2.916 1.00 0.00 O ATOM 1542 CB ARG A 98 -10.984 4.542 1.925 1.00 0.00 C ATOM 1543 CG ARG A 98 -11.270 3.375 0.998 1.00 0.00 C ATOM 1544 CD ARG A 98 -12.382 3.698 0.016 1.00 0.00 C ATOM 1545 NE ARG A 98 -11.900 4.419 -1.162 1.00 0.00 N ATOM 1546 CZ ARG A 98 -12.675 4.744 -2.196 1.00 0.00 C ATOM 1547 NH1 ARG A 98 -13.978 4.506 -2.146 1.00 0.00 N ATOM 1548 NH2 ARG A 98 -12.156 5.334 -3.269 1.00 0.00 N ATOM 0 H ARG A 98 -8.202 4.389 1.525 1.00 0.00 H new ATOM 0 HA ARG A 98 -10.402 6.142 0.615 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -10.642 4.154 2.884 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -11.914 5.079 2.112 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -10.364 3.115 0.450 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -11.547 2.501 1.588 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -12.862 2.772 -0.301 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -13.142 4.296 0.518 1.00 0.00 H new ATOM 0 HE ARG A 98 -10.917 4.688 -1.194 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -14.386 4.075 -1.317 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -14.572 4.754 -2.937 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -11.158 5.541 -3.305 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -12.756 5.580 -4.056 1.00 0.00 H new ATOM 1562 N ALA A 99 -10.329 7.220 3.100 1.00 0.00 N ATOM 1563 CA ALA A 99 -9.964 8.105 4.168 1.00 0.00 C ATOM 1564 C ALA A 99 -10.303 7.432 5.464 1.00 0.00 C ATOM 1565 O ALA A 99 -11.445 7.031 5.686 1.00 0.00 O ATOM 1566 CB ALA A 99 -10.705 9.431 4.058 1.00 0.00 C ATOM 0 H ALA A 99 -11.311 7.269 2.830 1.00 0.00 H new ATOM 0 HA ALA A 99 -8.897 8.321 4.115 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -10.409 10.082 4.880 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -10.458 9.908 3.110 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -11.779 9.252 4.105 1.00 0.00 H new ATOM 1572 N TYR A 100 -9.315 7.262 6.293 1.00 0.00 N ATOM 1573 CA TYR A 100 -9.520 6.640 7.568 1.00 0.00 C ATOM 1574 C TYR A 100 -10.299 7.609 8.448 1.00 0.00 C ATOM 1575 O TYR A 100 -9.740 8.528 9.044 1.00 0.00 O ATOM 1576 CB TYR A 100 -8.144 6.297 8.115 1.00 0.00 C ATOM 1577 CG TYR A 100 -8.072 5.756 9.535 1.00 0.00 C ATOM 1578 CD1 TYR A 100 -8.258 6.575 10.640 1.00 0.00 C ATOM 1579 CD2 TYR A 100 -7.777 4.416 9.761 1.00 0.00 C ATOM 1580 CE1 TYR A 100 -8.152 6.081 11.926 1.00 0.00 C ATOM 1581 CE2 TYR A 100 -7.676 3.913 11.043 1.00 0.00 C ATOM 1582 CZ TYR A 100 -7.863 4.748 12.123 1.00 0.00 C ATOM 1583 OH TYR A 100 -7.745 4.254 13.403 1.00 0.00 O ATOM 0 H TYR A 100 -8.354 7.547 6.107 1.00 0.00 H new ATOM 0 HA TYR A 100 -10.104 5.721 7.516 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -7.691 5.561 7.451 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -7.528 7.195 8.064 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -8.490 7.619 10.492 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -7.624 3.757 8.919 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -8.295 6.736 12.773 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -7.451 2.868 11.199 1.00 0.00 H new ATOM 0 HH TYR A 100 -7.540 3.296 13.366 1.00 0.00 H new ATOM 1593 N ASN A 101 -11.604 7.407 8.475 1.00 0.00 N ATOM 1594 CA ASN A 101 -12.507 8.235 9.248 1.00 0.00 C ATOM 1595 C ASN A 101 -13.764 7.440 9.561 1.00 0.00 C ATOM 1596 O ASN A 101 -13.965 6.351 9.019 1.00 0.00 O ATOM 1597 CB ASN A 101 -12.855 9.534 8.497 1.00 0.00 C ATOM 1598 CG ASN A 101 -13.909 9.341 7.420 1.00 0.00 C ATOM 1599 OD1 ASN A 101 -15.106 9.475 7.673 1.00 0.00 O ATOM 1600 ND2 ASN A 101 -13.471 9.030 6.213 1.00 0.00 N ATOM 0 H ASN A 101 -12.068 6.660 7.958 1.00 0.00 H new ATOM 0 HA ASN A 101 -12.017 8.522 10.178 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -13.209 10.276 9.213 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -11.950 9.936 8.042 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -14.134 8.892 5.450 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -12.470 8.928 6.044 1.00 0.00 H new ATOM 1607 N GLU A 102 -14.613 8.006 10.394 1.00 0.00 N ATOM 1608 CA GLU A 102 -15.848 7.356 10.842 1.00 0.00 C ATOM 1609 C GLU A 102 -16.673 6.761 9.700 1.00 0.00 C ATOM 1610 O GLU A 102 -17.120 5.628 9.796 1.00 0.00 O ATOM 1611 CB GLU A 102 -16.727 8.345 11.617 1.00 0.00 C ATOM 1612 CG GLU A 102 -15.952 9.355 12.448 1.00 0.00 C ATOM 1613 CD GLU A 102 -15.461 10.524 11.622 1.00 0.00 C ATOM 1614 OE1 GLU A 102 -14.236 10.633 11.413 1.00 0.00 O ATOM 1615 OE2 GLU A 102 -16.303 11.319 11.155 1.00 0.00 O ATOM 0 H GLU A 102 -14.473 8.937 10.787 1.00 0.00 H new ATOM 0 HA GLU A 102 -15.531 6.535 11.484 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -17.359 8.883 10.910 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -17.391 7.784 12.275 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -16.588 9.724 13.253 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -15.101 8.860 12.915 1.00 0.00 H new ATOM 1622 N GLU A 103 -16.844 7.511 8.620 1.00 0.00 N ATOM 1623 CA GLU A 103 -17.664 7.067 7.490 1.00 0.00 C ATOM 1624 C GLU A 103 -17.161 5.778 6.831 1.00 0.00 C ATOM 1625 O GLU A 103 -17.946 4.865 6.563 1.00 0.00 O ATOM 1626 CB GLU A 103 -17.742 8.172 6.434 1.00 0.00 C ATOM 1627 CG GLU A 103 -18.698 7.855 5.296 1.00 0.00 C ATOM 1628 CD GLU A 103 -18.513 8.775 4.106 1.00 0.00 C ATOM 1629 OE1 GLU A 103 -18.405 8.266 2.968 1.00 0.00 O ATOM 1630 OE2 GLU A 103 -18.473 10.006 4.303 1.00 0.00 O ATOM 0 H GLU A 103 -16.426 8.433 8.498 1.00 0.00 H new ATOM 0 HA GLU A 103 -18.650 6.850 7.901 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -18.054 9.100 6.913 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -16.746 8.344 6.025 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -18.550 6.823 4.979 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -19.724 7.934 5.656 1.00 0.00 H new ATOM 1637 N ASN A 104 -15.862 5.690 6.582 1.00 0.00 N ATOM 1638 CA ASN A 104 -15.302 4.526 5.897 1.00 0.00 C ATOM 1639 C ASN A 104 -15.025 3.396 6.866 1.00 0.00 C ATOM 1640 O ASN A 104 -15.209 2.223 6.542 1.00 0.00 O ATOM 1641 CB ASN A 104 -14.015 4.908 5.158 1.00 0.00 C ATOM 1642 CG ASN A 104 -14.271 5.828 3.978 1.00 0.00 C ATOM 1643 OD1 ASN A 104 -14.243 7.049 4.109 1.00 0.00 O ATOM 1644 ND2 ASN A 104 -14.523 5.244 2.817 1.00 0.00 N ATOM 0 H ASN A 104 -15.179 6.402 6.840 1.00 0.00 H new ATOM 0 HA ASN A 104 -16.041 4.181 5.174 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -13.332 5.396 5.853 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -13.519 4.003 4.807 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -14.703 5.812 1.989 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -14.537 4.226 2.750 1.00 0.00 H new ATOM 1651 N ILE A 105 -14.609 3.753 8.063 1.00 0.00 N ATOM 1652 CA ILE A 105 -14.303 2.770 9.078 1.00 0.00 C ATOM 1653 C ILE A 105 -15.569 2.093 9.555 1.00 0.00 C ATOM 1654 O ILE A 105 -15.561 0.908 9.881 1.00 0.00 O ATOM 1655 CB ILE A 105 -13.610 3.417 10.263 1.00 0.00 C ATOM 1656 CG1 ILE A 105 -12.304 4.055 9.813 1.00 0.00 C ATOM 1657 CG2 ILE A 105 -13.363 2.400 11.363 1.00 0.00 C ATOM 1658 CD1 ILE A 105 -11.562 4.708 10.939 1.00 0.00 C ATOM 0 H ILE A 105 -14.475 4.721 8.356 1.00 0.00 H new ATOM 0 HA ILE A 105 -13.637 2.029 8.635 1.00 0.00 H new ATOM 0 HB ILE A 105 -14.258 4.194 10.667 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -11.670 3.294 9.359 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -12.513 4.797 9.042 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -12.865 2.886 12.202 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -14.315 1.986 11.696 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -12.731 1.598 10.982 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -10.639 5.146 10.560 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -12.182 5.490 11.378 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -11.325 3.963 11.699 1.00 0.00 H new ATOM 1670 N ALA A 106 -16.656 2.861 9.587 1.00 0.00 N ATOM 1671 CA ALA A 106 -17.948 2.345 10.010 1.00 0.00 C ATOM 1672 C ALA A 106 -18.294 1.100 9.214 1.00 0.00 C ATOM 1673 O ALA A 106 -18.923 0.170 9.722 1.00 0.00 O ATOM 1674 CB ALA A 106 -19.028 3.402 9.845 1.00 0.00 C ATOM 0 H ALA A 106 -16.663 3.846 9.323 1.00 0.00 H new ATOM 0 HA ALA A 106 -17.891 2.082 11.066 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -19.987 2.996 10.167 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -18.781 4.273 10.452 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -19.092 3.696 8.797 1.00 0.00 H new ATOM 1680 N MET A 107 -17.850 1.079 7.965 1.00 0.00 N ATOM 1681 CA MET A 107 -18.088 -0.063 7.114 1.00 0.00 C ATOM 1682 C MET A 107 -17.075 -1.131 7.454 1.00 0.00 C ATOM 1683 O MET A 107 -17.448 -2.256 7.691 1.00 0.00 O ATOM 1684 CB MET A 107 -17.973 0.293 5.631 1.00 0.00 C ATOM 1685 CG MET A 107 -18.879 -0.525 4.734 1.00 0.00 C ATOM 1686 SD MET A 107 -18.496 -0.294 2.988 1.00 0.00 S ATOM 1687 CE MET A 107 -19.464 -1.610 2.259 1.00 0.00 C ATOM 0 H MET A 107 -17.327 1.837 7.527 1.00 0.00 H new ATOM 0 HA MET A 107 -19.104 -0.417 7.287 1.00 0.00 H new ATOM 0 HB2 MET A 107 -18.207 1.350 5.501 1.00 0.00 H new ATOM 0 HB3 MET A 107 -16.940 0.154 5.313 1.00 0.00 H new ATOM 0 HG2 MET A 107 -18.783 -1.580 4.989 1.00 0.00 H new ATOM 0 HG3 MET A 107 -19.917 -0.246 4.917 1.00 0.00 H new ATOM 0 HE1 MET A 107 -19.162 -1.752 1.221 1.00 0.00 H new ATOM 0 HE2 MET A 107 -19.299 -2.533 2.814 1.00 0.00 H new ATOM 0 HE3 MET A 107 -20.521 -1.348 2.297 1.00 0.00 H new ATOM 1697 N LYS A 108 -15.799 -0.739 7.527 1.00 0.00 N ATOM 1698 CA LYS A 108 -14.691 -1.644 7.824 1.00 0.00 C ATOM 1699 C LYS A 108 -14.982 -2.506 9.045 1.00 0.00 C ATOM 1700 O LYS A 108 -14.667 -3.693 9.071 1.00 0.00 O ATOM 1701 CB LYS A 108 -13.423 -0.818 8.052 1.00 0.00 C ATOM 1702 CG LYS A 108 -12.222 -1.624 8.511 1.00 0.00 C ATOM 1703 CD LYS A 108 -11.448 -0.881 9.589 1.00 0.00 C ATOM 1704 CE LYS A 108 -9.950 -1.069 9.430 1.00 0.00 C ATOM 1705 NZ LYS A 108 -9.541 -2.486 9.603 1.00 0.00 N ATOM 0 H LYS A 108 -15.506 0.227 7.379 1.00 0.00 H new ATOM 0 HA LYS A 108 -14.554 -2.316 6.977 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -13.167 -0.304 7.125 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -13.634 -0.049 8.795 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -12.552 -2.589 8.895 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -11.568 -1.825 7.662 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -11.689 0.181 9.544 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -11.758 -1.237 10.571 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -9.645 -0.723 8.443 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -9.428 -0.450 10.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -8.529 -2.584 9.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -9.715 -2.780 10.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -10.093 -3.088 8.959 1.00 0.00 H new ATOM 1719 N LYS A 109 -15.565 -1.890 10.055 1.00 0.00 N ATOM 1720 CA LYS A 109 -15.921 -2.596 11.282 1.00 0.00 C ATOM 1721 C LYS A 109 -16.924 -3.700 10.985 1.00 0.00 C ATOM 1722 O LYS A 109 -16.657 -4.881 11.216 1.00 0.00 O ATOM 1723 CB LYS A 109 -16.531 -1.639 12.306 1.00 0.00 C ATOM 1724 CG LYS A 109 -15.669 -0.434 12.629 1.00 0.00 C ATOM 1725 CD LYS A 109 -14.353 -0.840 13.265 1.00 0.00 C ATOM 1726 CE LYS A 109 -14.008 0.075 14.427 1.00 0.00 C ATOM 1727 NZ LYS A 109 -13.085 -0.574 15.391 1.00 0.00 N ATOM 0 H LYS A 109 -15.805 -0.899 10.055 1.00 0.00 H new ATOM 0 HA LYS A 109 -15.008 -3.026 11.692 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -17.494 -1.292 11.932 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -16.726 -2.188 13.227 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -15.474 0.129 11.716 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -16.210 0.230 13.303 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -14.416 -1.870 13.615 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -13.558 -0.804 12.520 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -13.551 0.988 14.046 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -14.923 0.368 14.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -12.875 0.085 16.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -13.531 -1.432 15.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -12.201 -0.830 14.907 1.00 0.00 H new ATOM 1741 N ARG A 110 -18.071 -3.303 10.440 1.00 0.00 N ATOM 1742 CA ARG A 110 -19.132 -4.241 10.097 1.00 0.00 C ATOM 1743 C ARG A 110 -18.633 -5.204 9.033 1.00 0.00 C ATOM 1744 O ARG A 110 -18.994 -6.370 8.995 1.00 0.00 O ATOM 1745 CB ARG A 110 -20.349 -3.464 9.590 1.00 0.00 C ATOM 1746 CG ARG A 110 -21.593 -4.306 9.396 1.00 0.00 C ATOM 1747 CD ARG A 110 -22.744 -3.467 8.865 1.00 0.00 C ATOM 1748 NE ARG A 110 -24.006 -4.204 8.873 1.00 0.00 N ATOM 1749 CZ ARG A 110 -25.210 -3.629 8.943 1.00 0.00 C ATOM 1750 NH1 ARG A 110 -25.312 -2.303 8.953 1.00 0.00 N ATOM 1751 NH2 ARG A 110 -26.303 -4.386 8.993 1.00 0.00 N ATOM 0 H ARG A 110 -18.289 -2.330 10.226 1.00 0.00 H new ATOM 0 HA ARG A 110 -19.421 -4.814 10.978 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -20.573 -2.664 10.295 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -20.094 -2.991 8.642 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -21.381 -5.119 8.702 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -21.878 -4.762 10.344 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -22.846 -2.566 9.470 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -22.519 -3.144 7.849 1.00 0.00 H new ATOM 0 HE ARG A 110 -23.965 -5.222 8.822 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -24.472 -1.727 8.907 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -26.230 -1.863 9.006 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -26.220 -5.403 8.978 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -27.223 -3.950 9.047 1.00 0.00 H new ATOM 1765 N LEU A 111 -17.754 -4.690 8.210 1.00 0.00 N ATOM 1766 CA LEU A 111 -17.152 -5.422 7.119 1.00 0.00 C ATOM 1767 C LEU A 111 -16.268 -6.546 7.591 1.00 0.00 C ATOM 1768 O LEU A 111 -16.332 -7.638 7.061 1.00 0.00 O ATOM 1769 CB LEU A 111 -16.331 -4.469 6.268 1.00 0.00 C ATOM 1770 CG LEU A 111 -17.082 -3.863 5.098 1.00 0.00 C ATOM 1771 CD1 LEU A 111 -16.260 -2.773 4.418 1.00 0.00 C ATOM 1772 CD2 LEU A 111 -17.499 -4.918 4.095 1.00 0.00 C ATOM 0 H LEU A 111 -17.427 -3.726 8.280 1.00 0.00 H new ATOM 0 HA LEU A 111 -17.963 -5.864 6.540 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -15.961 -3.663 6.902 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -15.459 -5.001 5.887 1.00 0.00 H new ATOM 0 HG LEU A 111 -17.987 -3.408 5.500 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -16.825 -2.358 3.583 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -16.039 -1.983 5.135 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -15.327 -3.198 4.048 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -18.034 -4.446 3.271 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -16.614 -5.424 3.710 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -18.150 -5.645 4.581 1.00 0.00 H new ATOM 1784 N ALA A 112 -15.451 -6.310 8.589 1.00 0.00 N ATOM 1785 CA ALA A 112 -14.565 -7.357 9.034 1.00 0.00 C ATOM 1786 C ALA A 112 -15.326 -8.407 9.815 1.00 0.00 C ATOM 1787 O ALA A 112 -14.802 -9.485 10.093 1.00 0.00 O ATOM 1788 CB ALA A 112 -13.410 -6.791 9.840 1.00 0.00 C ATOM 0 H ALA A 112 -15.381 -5.428 9.096 1.00 0.00 H new ATOM 0 HA ALA A 112 -14.140 -7.840 8.154 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -12.759 -7.603 10.162 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -12.843 -6.094 9.223 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -13.798 -6.269 10.714 1.00 0.00 H new ATOM 1794 N ASN A 113 -16.552 -8.088 10.194 1.00 0.00 N ATOM 1795 CA ASN A 113 -17.374 -9.045 10.899 1.00 0.00 C ATOM 1796 C ASN A 113 -18.339 -9.720 9.923 1.00 0.00 C ATOM 1797 O ASN A 113 -18.702 -10.880 10.105 1.00 0.00 O ATOM 1798 CB ASN A 113 -18.116 -8.386 12.085 1.00 0.00 C ATOM 1799 CG ASN A 113 -19.617 -8.230 11.884 1.00 0.00 C ATOM 1800 OD1 ASN A 113 -20.079 -6.993 11.823 1.00 0.00 O flip ATOM 1801 ND2 ASN A 113 -20.360 -9.212 11.827 1.00 0.00 N flip ATOM 0 H ASN A 113 -16.992 -7.183 10.026 1.00 0.00 H new ATOM 0 HA ASN A 113 -16.730 -9.814 11.326 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -17.942 -8.981 12.981 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -17.683 -7.403 12.267 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -19.967 -10.152 11.877 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -21.367 -9.084 11.730 1.00 0.00 H new ATOM 1808 N GLU A 114 -18.725 -8.998 8.868 1.00 0.00 N ATOM 1809 CA GLU A 114 -19.664 -9.522 7.881 1.00 0.00 C ATOM 1810 C GLU A 114 -18.981 -10.087 6.643 1.00 0.00 C ATOM 1811 O GLU A 114 -19.434 -11.097 6.105 1.00 0.00 O ATOM 1812 CB GLU A 114 -20.686 -8.457 7.492 1.00 0.00 C ATOM 1813 CG GLU A 114 -21.813 -8.341 8.503 1.00 0.00 C ATOM 1814 CD GLU A 114 -22.975 -7.508 8.021 1.00 0.00 C ATOM 1815 OE1 GLU A 114 -23.598 -6.818 8.859 1.00 0.00 O ATOM 1816 OE2 GLU A 114 -23.280 -7.549 6.818 1.00 0.00 O ATOM 0 H GLU A 114 -18.400 -8.050 8.678 1.00 0.00 H new ATOM 0 HA GLU A 114 -20.178 -10.357 8.358 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -20.185 -7.494 7.398 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -21.102 -8.697 6.514 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -22.171 -9.340 8.751 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -21.421 -7.906 9.422 1.00 0.00 H new ATOM 1823 N ALA A 115 -17.883 -9.480 6.190 1.00 0.00 N ATOM 1824 CA ALA A 115 -17.197 -9.984 5.002 1.00 0.00 C ATOM 1825 C ALA A 115 -16.430 -11.239 5.358 1.00 0.00 C ATOM 1826 O ALA A 115 -15.941 -11.968 4.498 1.00 0.00 O ATOM 1827 CB ALA A 115 -16.250 -8.937 4.444 1.00 0.00 C ATOM 0 H ALA A 115 -17.458 -8.657 6.617 1.00 0.00 H new ATOM 0 HA ALA A 115 -17.939 -10.214 4.238 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -15.750 -9.333 3.560 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -16.814 -8.044 4.173 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -15.506 -8.681 5.198 1.00 0.00 H new ATOM 1833 N LYS A 116 -16.349 -11.479 6.650 1.00 0.00 N ATOM 1834 CA LYS A 116 -15.640 -12.613 7.185 1.00 0.00 C ATOM 1835 C LYS A 116 -16.595 -13.775 7.468 1.00 0.00 C ATOM 1836 O LYS A 116 -16.207 -14.942 7.414 1.00 0.00 O ATOM 1837 CB LYS A 116 -14.914 -12.164 8.452 1.00 0.00 C ATOM 1838 CG LYS A 116 -15.648 -12.462 9.746 1.00 0.00 C ATOM 1839 CD LYS A 116 -14.714 -13.045 10.788 1.00 0.00 C ATOM 1840 CE LYS A 116 -14.799 -14.561 10.808 1.00 0.00 C ATOM 1841 NZ LYS A 116 -13.458 -15.202 10.863 1.00 0.00 N ATOM 0 H LYS A 116 -16.778 -10.886 7.360 1.00 0.00 H new ATOM 0 HA LYS A 116 -14.915 -12.977 6.458 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -13.938 -12.648 8.485 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -14.736 -11.090 8.391 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -16.099 -11.547 10.130 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -16.462 -13.161 9.552 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -13.690 -12.737 10.576 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -14.969 -12.650 11.771 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -15.386 -14.878 11.670 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -15.327 -14.905 9.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -13.568 -16.236 10.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -12.905 -14.922 10.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -12.962 -14.897 11.725 1.00 0.00 H new ATOM 1855 N GLU A 117 -17.848 -13.449 7.765 1.00 0.00 N ATOM 1856 CA GLU A 117 -18.844 -14.468 8.052 1.00 0.00 C ATOM 1857 C GLU A 117 -19.542 -14.906 6.770 1.00 0.00 C ATOM 1858 O GLU A 117 -19.915 -16.068 6.616 1.00 0.00 O ATOM 1859 CB GLU A 117 -19.868 -13.963 9.069 1.00 0.00 C ATOM 1860 CG GLU A 117 -20.616 -12.710 8.637 1.00 0.00 C ATOM 1861 CD GLU A 117 -22.083 -12.744 9.014 1.00 0.00 C ATOM 1862 OE1 GLU A 117 -22.752 -11.695 8.903 1.00 0.00 O ATOM 1863 OE2 GLU A 117 -22.575 -13.819 9.428 1.00 0.00 O ATOM 0 H GLU A 117 -18.195 -12.491 7.813 1.00 0.00 H new ATOM 0 HA GLU A 117 -18.332 -15.328 8.484 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -20.591 -14.755 9.262 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -19.358 -13.761 10.011 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -20.148 -11.838 9.093 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -20.525 -12.592 7.557 1.00 0.00 H new ATOM 1870 N ALA A 118 -19.711 -13.972 5.849 1.00 0.00 N ATOM 1871 CA ALA A 118 -20.356 -14.270 4.585 1.00 0.00 C ATOM 1872 C ALA A 118 -19.394 -14.039 3.428 1.00 0.00 C ATOM 1873 O ALA A 118 -19.443 -13.010 2.757 1.00 0.00 O ATOM 1874 CB ALA A 118 -21.617 -13.436 4.411 1.00 0.00 C ATOM 0 H ALA A 118 -19.410 -13.003 5.954 1.00 0.00 H new ATOM 0 HA ALA A 118 -20.644 -15.321 4.588 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -22.084 -13.677 3.456 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -22.313 -13.656 5.220 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -21.359 -12.377 4.432 1.00 0.00 H new ATOM 1880 N LYS A 119 -18.498 -14.990 3.220 1.00 0.00 N ATOM 1881 CA LYS A 119 -17.532 -14.895 2.136 1.00 0.00 C ATOM 1882 C LYS A 119 -18.081 -15.590 0.895 1.00 0.00 C ATOM 1883 O LYS A 119 -17.874 -16.794 0.709 1.00 0.00 O ATOM 1884 CB LYS A 119 -16.179 -15.501 2.537 1.00 0.00 C ATOM 1885 CG LYS A 119 -16.164 -16.140 3.920 1.00 0.00 C ATOM 1886 CD LYS A 119 -14.773 -16.628 4.299 1.00 0.00 C ATOM 1887 CE LYS A 119 -14.770 -17.311 5.660 1.00 0.00 C ATOM 1888 NZ LYS A 119 -15.550 -18.577 5.646 1.00 0.00 N ATOM 0 H LYS A 119 -18.419 -15.835 3.786 1.00 0.00 H new ATOM 0 HA LYS A 119 -17.367 -13.840 1.915 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -15.898 -16.252 1.799 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -15.420 -14.720 2.502 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -16.510 -15.417 4.659 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -16.862 -16.977 3.942 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -14.412 -17.324 3.541 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -14.082 -15.785 4.313 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -13.743 -17.521 5.959 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -15.188 -16.635 6.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -15.360 -19.111 6.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -16.565 -18.359 5.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -15.271 -19.148 4.823 1.00 0.00 H new ATOM 1902 N LYS A 120 -18.812 -14.823 0.082 1.00 0.00 N ATOM 1903 CA LYS A 120 -19.422 -15.318 -1.156 1.00 0.00 C ATOM 1904 C LYS A 120 -20.610 -16.224 -0.849 1.00 0.00 C ATOM 1905 O LYS A 120 -21.222 -16.058 0.230 1.00 0.00 O ATOM 1906 CB LYS A 120 -18.398 -16.066 -2.015 1.00 0.00 C ATOM 1907 CG LYS A 120 -18.555 -15.825 -3.505 1.00 0.00 C ATOM 1908 CD LYS A 120 -18.274 -14.375 -3.856 1.00 0.00 C ATOM 1909 CE LYS A 120 -18.444 -14.114 -5.341 1.00 0.00 C ATOM 1910 NZ LYS A 120 -17.446 -14.852 -6.155 1.00 0.00 N ATOM 1911 OXT LYS A 120 -20.934 -17.089 -1.687 1.00 0.00 O ATOM 0 H LYS A 120 -18.998 -13.837 0.264 1.00 0.00 H new ATOM 0 HA LYS A 120 -19.777 -14.454 -1.718 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -17.395 -15.766 -1.712 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -18.484 -17.135 -1.818 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -17.874 -16.474 -4.055 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -19.566 -16.088 -3.815 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -18.947 -13.727 -3.293 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -17.258 -14.118 -3.555 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -19.448 -14.406 -5.647 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -18.350 -13.045 -5.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -17.474 -14.507 -7.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -16.496 -14.699 -5.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -17.668 -15.868 -6.139 1.00 0.00 H new TER 1925 LYS A 120