USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 874 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 56 LYS NZ :NH3+ -141:sc= 0.361 (180deg=-0.41) USER MOD Set 1.2: A 61 CYS SG : rot 130:sc= 0.445 USER MOD Set 2.1: A 54 SER OG : rot -108:sc= 0.821! USER MOD Set 2.2: A 63 HIS : no HE2:sc= 0.404 K(o=1.2,f=-10!) USER MOD Set 3.1: A 48 HIS : no HD1:sc= -2.99 K(o=-3.5,f=-2.8) USER MOD Set 3.2: A 65 MET CE :methyl -129:sc= -0.548 (180deg=-4.16!) USER MOD Set 4.1: A 45 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 52 THR OG1 : rot -19:sc= 0.276 USER MOD Set 5.1: A 35 GLN : amide:sc= -0.228 K(o=0.045,f=-0.63) USER MOD Set 5.2: A 39 SER OG : rot 95:sc= 0.272 USER MOD Set 6.1: A 20 HIS : no HE2:sc= -4.82 X(o=-6.1,f=-6.1!) USER MOD Set 6.2: A 109 CYS SG : rot 180:sc= -1.27 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 29:sc= 0.289 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.0272 K(o=-0.027,f=-1.2) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.37 X(o=-0.37,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 86:sc= 1.17 USER MOD Single : A 58 GLN : amide:sc=-0.00742 K(o=-0.0074,f=-0.82) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot -45:sc= -2.02 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -1.03 USER MOD Single : A 75 MET CE :methyl 159:sc= -1.82 (180deg=-2.05) USER MOD Single : A 80 LYS NZ :NH3+ 150:sc= 0.00387 (180deg=0) USER MOD Single : A 83 HIS : no HD1:sc= -6.61! K(o=-6.6!,f=-5.3) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 6:sc= 0.527 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HE2:sc= -3.75 K(o=-3.7,f=-7!) USER MOD Single : A 94 GLN : amide:sc= -0.0087 X(o=-0.0087,f=-0.33) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= -1.25 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.645 28.063 -31.030 1.00 0.00 N ATOM 2 CA GLY A 1 -12.258 27.697 -31.257 1.00 0.00 C ATOM 3 C GLY A 1 -12.118 26.344 -31.927 1.00 0.00 C ATOM 4 O GLY A 1 -11.964 26.261 -33.145 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.687 28.995 -30.570 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.147 28.103 -31.940 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.095 27.354 -30.417 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.782 28.457 -31.876 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.728 27.684 -30.305 1.00 0.00 H new ATOM 8 N SER A 2 -12.171 25.281 -31.130 1.00 0.00 N ATOM 9 CA SER A 2 -12.043 23.927 -31.652 1.00 0.00 C ATOM 10 C SER A 2 -11.060 23.885 -32.819 1.00 0.00 C ATOM 11 O SER A 2 -11.361 23.336 -33.879 1.00 0.00 O ATOM 12 CB SER A 2 -13.408 23.400 -32.102 1.00 0.00 C ATOM 13 OG SER A 2 -14.168 22.944 -30.996 1.00 0.00 O ATOM 0 H SER A 2 -12.302 25.333 -30.120 1.00 0.00 H new ATOM 0 HA SER A 2 -11.660 23.291 -30.854 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.953 24.189 -32.621 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.271 22.586 -32.813 1.00 0.00 H new ATOM 0 HG SER A 2 -15.036 22.614 -31.309 1.00 0.00 H new ATOM 19 N SER A 3 -9.883 24.468 -32.614 1.00 0.00 N ATOM 20 CA SER A 3 -8.856 24.502 -33.649 1.00 0.00 C ATOM 21 C SER A 3 -7.913 23.311 -33.517 1.00 0.00 C ATOM 22 O SER A 3 -7.299 23.104 -32.471 1.00 0.00 O ATOM 23 CB SER A 3 -8.063 25.807 -33.567 1.00 0.00 C ATOM 24 OG SER A 3 -7.495 25.978 -32.281 1.00 0.00 O ATOM 0 H SER A 3 -9.617 24.923 -31.741 1.00 0.00 H new ATOM 0 HA SER A 3 -9.350 24.446 -34.619 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.274 25.805 -34.319 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.717 26.649 -33.794 1.00 0.00 H new ATOM 0 HG SER A 3 -7.318 25.100 -31.882 1.00 0.00 H new ATOM 30 N GLY A 4 -7.803 22.528 -34.586 1.00 0.00 N ATOM 31 CA GLY A 4 -6.933 21.367 -34.570 1.00 0.00 C ATOM 32 C GLY A 4 -7.428 20.285 -33.631 1.00 0.00 C ATOM 33 O GLY A 4 -7.132 20.307 -32.436 1.00 0.00 O ATOM 0 H GLY A 4 -8.301 22.677 -35.463 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.855 20.961 -35.579 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.930 21.672 -34.271 1.00 0.00 H new ATOM 37 N SER A 5 -8.186 19.335 -34.171 1.00 0.00 N ATOM 38 CA SER A 5 -8.728 18.243 -33.372 1.00 0.00 C ATOM 39 C SER A 5 -8.047 16.923 -33.721 1.00 0.00 C ATOM 40 O SER A 5 -7.920 16.570 -34.894 1.00 0.00 O ATOM 41 CB SER A 5 -10.237 18.124 -33.589 1.00 0.00 C ATOM 42 OG SER A 5 -10.921 19.240 -33.046 1.00 0.00 O ATOM 0 H SER A 5 -8.438 19.300 -35.159 1.00 0.00 H new ATOM 0 HA SER A 5 -8.535 18.464 -32.322 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.449 18.047 -34.655 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.603 17.208 -33.125 1.00 0.00 H new ATOM 0 HG SER A 5 -11.884 19.140 -33.200 1.00 0.00 H new ATOM 48 N SER A 6 -7.610 16.199 -32.696 1.00 0.00 N ATOM 49 CA SER A 6 -6.938 14.921 -32.894 1.00 0.00 C ATOM 50 C SER A 6 -7.921 13.860 -33.379 1.00 0.00 C ATOM 51 O SER A 6 -7.636 13.115 -34.316 1.00 0.00 O ATOM 52 CB SER A 6 -6.275 14.463 -31.594 1.00 0.00 C ATOM 53 OG SER A 6 -5.147 13.645 -31.857 1.00 0.00 O ATOM 0 H SER A 6 -7.709 16.476 -31.719 1.00 0.00 H new ATOM 0 HA SER A 6 -6.171 15.056 -33.656 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.970 15.332 -31.012 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.995 13.911 -30.990 1.00 0.00 H new ATOM 0 HG SER A 6 -4.740 13.367 -31.010 1.00 0.00 H new ATOM 59 N GLY A 7 -9.082 13.798 -32.732 1.00 0.00 N ATOM 60 CA GLY A 7 -10.089 12.825 -33.110 1.00 0.00 C ATOM 61 C GLY A 7 -10.123 11.631 -32.176 1.00 0.00 C ATOM 62 O GLY A 7 -9.974 11.779 -30.964 1.00 0.00 O ATOM 0 H GLY A 7 -9.342 14.404 -31.954 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.068 13.304 -33.117 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.895 12.482 -34.126 1.00 0.00 H new ATOM 66 N GLY A 8 -10.322 10.444 -32.741 1.00 0.00 N ATOM 67 CA GLY A 8 -10.373 9.239 -31.936 1.00 0.00 C ATOM 68 C GLY A 8 -9.037 8.526 -31.873 1.00 0.00 C ATOM 69 O GLY A 8 -8.236 8.613 -32.803 1.00 0.00 O ATOM 0 H GLY A 8 -10.449 10.296 -33.742 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.693 9.494 -30.926 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.123 8.563 -32.347 1.00 0.00 H new ATOM 73 N GLN A 9 -8.795 7.821 -30.774 1.00 0.00 N ATOM 74 CA GLN A 9 -7.545 7.092 -30.592 1.00 0.00 C ATOM 75 C GLN A 9 -7.799 5.716 -29.985 1.00 0.00 C ATOM 76 O GLN A 9 -8.938 5.363 -29.676 1.00 0.00 O ATOM 77 CB GLN A 9 -6.590 7.888 -29.700 1.00 0.00 C ATOM 78 CG GLN A 9 -5.903 9.039 -30.418 1.00 0.00 C ATOM 79 CD GLN A 9 -5.128 9.936 -29.474 1.00 0.00 C ATOM 80 OE1 GLN A 9 -5.622 10.313 -28.411 1.00 0.00 O ATOM 81 NE2 GLN A 9 -3.906 10.284 -29.858 1.00 0.00 N ATOM 0 H GLN A 9 -9.448 7.739 -29.995 1.00 0.00 H new ATOM 0 HA GLN A 9 -7.088 6.957 -31.572 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -7.145 8.282 -28.848 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -5.831 7.214 -29.302 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -5.225 8.639 -31.172 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -6.651 9.632 -30.945 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -3.536 9.948 -30.747 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -3.337 10.887 -29.264 1.00 0.00 H new ATOM 90 N LEU A 10 -6.732 4.944 -29.817 1.00 0.00 N ATOM 91 CA LEU A 10 -6.839 3.605 -29.247 1.00 0.00 C ATOM 92 C LEU A 10 -5.934 3.458 -28.028 1.00 0.00 C ATOM 93 O LEU A 10 -4.710 3.456 -28.149 1.00 0.00 O ATOM 94 CB LEU A 10 -6.476 2.552 -30.295 1.00 0.00 C ATOM 95 CG LEU A 10 -7.604 2.126 -31.237 1.00 0.00 C ATOM 96 CD1 LEU A 10 -7.071 1.214 -32.331 1.00 0.00 C ATOM 97 CD2 LEU A 10 -8.715 1.435 -30.460 1.00 0.00 C ATOM 0 H LEU A 10 -5.783 5.221 -30.067 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.871 3.453 -28.931 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.652 2.936 -30.897 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.107 1.666 -29.778 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.016 3.020 -31.706 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.888 0.922 -32.991 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.311 1.742 -32.907 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.632 0.324 -31.881 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.509 1.139 -31.146 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.316 0.551 -29.963 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.117 2.120 -29.714 1.00 0.00 H new ATOM 109 N ALA A 11 -6.545 3.334 -26.855 1.00 0.00 N ATOM 110 CA ALA A 11 -5.794 3.182 -25.614 1.00 0.00 C ATOM 111 C ALA A 11 -6.362 2.049 -24.765 1.00 0.00 C ATOM 112 O ALA A 11 -5.614 1.304 -24.133 1.00 0.00 O ATOM 113 CB ALA A 11 -5.801 4.486 -24.831 1.00 0.00 C ATOM 0 H ALA A 11 -7.558 3.336 -26.737 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.765 2.929 -25.868 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.237 4.359 -23.907 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.343 5.273 -25.430 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.828 4.762 -24.594 1.00 0.00 H new ATOM 119 N GLN A 12 -7.685 1.928 -24.755 1.00 0.00 N ATOM 120 CA GLN A 12 -8.351 0.887 -23.981 1.00 0.00 C ATOM 121 C GLN A 12 -7.721 0.749 -22.599 1.00 0.00 C ATOM 122 O GLN A 12 -7.304 -0.340 -22.202 1.00 0.00 O ATOM 123 CB GLN A 12 -8.284 -0.449 -24.722 1.00 0.00 C ATOM 124 CG GLN A 12 -9.151 -0.497 -25.970 1.00 0.00 C ATOM 125 CD GLN A 12 -10.587 -0.875 -25.669 1.00 0.00 C ATOM 126 OE1 GLN A 12 -11.038 -0.788 -24.526 1.00 0.00 O ATOM 127 NE2 GLN A 12 -11.316 -1.298 -26.695 1.00 0.00 N ATOM 0 H GLN A 12 -8.317 2.538 -25.274 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.395 1.173 -23.856 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -7.249 -0.649 -25.001 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.592 -1.246 -24.045 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.131 0.477 -26.459 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -8.730 -1.216 -26.673 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.902 -1.355 -27.626 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -12.290 -1.566 -26.553 1.00 0.00 H new ATOM 136 N ASP A 13 -7.651 1.858 -21.872 1.00 0.00 N ATOM 137 CA ASP A 13 -7.072 1.861 -20.534 1.00 0.00 C ATOM 138 C ASP A 13 -8.134 2.163 -19.482 1.00 0.00 C ATOM 139 O ASP A 13 -8.450 3.323 -19.219 1.00 0.00 O ATOM 140 CB ASP A 13 -5.942 2.888 -20.446 1.00 0.00 C ATOM 141 CG ASP A 13 -4.933 2.547 -19.368 1.00 0.00 C ATOM 142 OD1 ASP A 13 -4.453 1.394 -19.348 1.00 0.00 O ATOM 143 OD2 ASP A 13 -4.619 3.434 -18.547 1.00 0.00 O ATOM 0 H ASP A 13 -7.988 2.768 -22.187 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.666 0.868 -20.339 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.434 2.949 -21.409 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.365 3.873 -20.246 1.00 0.00 H new ATOM 148 N GLY A 14 -8.685 1.110 -18.884 1.00 0.00 N ATOM 149 CA GLY A 14 -9.707 1.284 -17.869 1.00 0.00 C ATOM 150 C GLY A 14 -9.124 1.412 -16.475 1.00 0.00 C ATOM 151 O GLY A 14 -9.623 0.803 -15.528 1.00 0.00 O ATOM 0 H GLY A 14 -8.441 0.140 -19.085 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.294 2.174 -18.097 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -10.391 0.436 -17.897 1.00 0.00 H new ATOM 155 N VAL A 15 -8.065 2.203 -16.349 1.00 0.00 N ATOM 156 CA VAL A 15 -7.413 2.409 -15.061 1.00 0.00 C ATOM 157 C VAL A 15 -7.034 3.872 -14.863 1.00 0.00 C ATOM 158 O VAL A 15 -6.543 4.541 -15.773 1.00 0.00 O ATOM 159 CB VAL A 15 -6.147 1.540 -14.928 1.00 0.00 C ATOM 160 CG1 VAL A 15 -5.152 1.874 -16.028 1.00 0.00 C ATOM 161 CG2 VAL A 15 -5.518 1.723 -13.555 1.00 0.00 C ATOM 0 H VAL A 15 -7.639 2.713 -17.123 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.130 2.116 -14.294 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.432 0.494 -15.035 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.265 1.251 -15.918 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.608 1.687 -17.000 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.869 2.924 -15.956 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.625 1.102 -13.478 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.246 2.769 -13.416 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.232 1.429 -12.786 1.00 0.00 H new ATOM 171 N PRO A 16 -7.268 4.383 -13.646 1.00 0.00 N ATOM 172 CA PRO A 16 -6.958 5.773 -13.299 1.00 0.00 C ATOM 173 C PRO A 16 -5.456 6.033 -13.228 1.00 0.00 C ATOM 174 O PRO A 16 -4.651 5.123 -13.422 1.00 0.00 O ATOM 175 CB PRO A 16 -7.596 5.946 -11.918 1.00 0.00 C ATOM 176 CG PRO A 16 -7.639 4.570 -11.347 1.00 0.00 C ATOM 177 CD PRO A 16 -7.851 3.644 -12.513 1.00 0.00 C ATOM 0 HA PRO A 16 -7.332 6.472 -14.047 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.008 6.617 -11.291 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.595 6.375 -11.994 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.711 4.335 -10.826 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.446 4.474 -10.621 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.355 2.686 -12.360 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.909 3.434 -12.672 1.00 0.00 H new ATOM 185 N GLU A 17 -5.088 7.279 -12.949 1.00 0.00 N ATOM 186 CA GLU A 17 -3.683 7.657 -12.853 1.00 0.00 C ATOM 187 C GLU A 17 -3.165 7.470 -11.430 1.00 0.00 C ATOM 188 O GLU A 17 -2.040 7.014 -11.222 1.00 0.00 O ATOM 189 CB GLU A 17 -3.491 9.110 -13.290 1.00 0.00 C ATOM 190 CG GLU A 17 -4.608 10.035 -12.835 1.00 0.00 C ATOM 191 CD GLU A 17 -5.738 10.124 -13.841 1.00 0.00 C ATOM 192 OE1 GLU A 17 -5.788 9.276 -14.755 1.00 0.00 O ATOM 193 OE2 GLU A 17 -6.574 11.043 -13.712 1.00 0.00 O ATOM 0 H GLU A 17 -5.743 8.044 -12.785 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.113 7.007 -13.517 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.543 9.477 -12.896 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.420 9.147 -14.377 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.002 9.681 -11.882 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.202 11.031 -12.662 1.00 0.00 H new ATOM 200 N TRP A 18 -3.993 7.825 -10.454 1.00 0.00 N ATOM 201 CA TRP A 18 -3.619 7.697 -9.050 1.00 0.00 C ATOM 202 C TRP A 18 -3.246 6.257 -8.715 1.00 0.00 C ATOM 203 O TRP A 18 -2.681 5.982 -7.656 1.00 0.00 O ATOM 204 CB TRP A 18 -4.765 8.162 -8.151 1.00 0.00 C ATOM 205 CG TRP A 18 -6.057 7.450 -8.420 1.00 0.00 C ATOM 206 CD1 TRP A 18 -7.102 7.906 -9.173 1.00 0.00 C ATOM 207 CD2 TRP A 18 -6.441 6.158 -7.937 1.00 0.00 C ATOM 208 NE1 TRP A 18 -8.113 6.974 -9.186 1.00 0.00 N ATOM 209 CE2 TRP A 18 -7.731 5.893 -8.436 1.00 0.00 C ATOM 210 CE3 TRP A 18 -5.820 5.199 -7.133 1.00 0.00 C ATOM 211 CZ2 TRP A 18 -8.408 4.710 -8.156 1.00 0.00 C ATOM 212 CZ3 TRP A 18 -6.494 4.026 -6.854 1.00 0.00 C ATOM 213 CH2 TRP A 18 -7.777 3.788 -7.365 1.00 0.00 C ATOM 0 H TRP A 18 -4.927 8.204 -10.609 1.00 0.00 H new ATOM 0 HA TRP A 18 -2.749 8.329 -8.873 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -4.485 8.010 -7.109 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -4.913 9.233 -8.288 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -7.130 8.858 -9.683 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -9.003 7.072 -9.675 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -4.830 5.372 -6.737 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -9.397 4.526 -8.549 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.024 3.279 -6.231 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -8.277 2.860 -7.130 1.00 0.00 H new ATOM 224 N PHE A 19 -3.564 5.341 -9.624 1.00 0.00 N ATOM 225 CA PHE A 19 -3.263 3.929 -9.424 1.00 0.00 C ATOM 226 C PHE A 19 -1.935 3.558 -10.078 1.00 0.00 C ATOM 227 O PHE A 19 -1.903 3.042 -11.195 1.00 0.00 O ATOM 228 CB PHE A 19 -4.385 3.060 -9.994 1.00 0.00 C ATOM 229 CG PHE A 19 -4.233 1.599 -9.677 1.00 0.00 C ATOM 230 CD1 PHE A 19 -4.410 1.135 -8.383 1.00 0.00 C ATOM 231 CD2 PHE A 19 -3.913 0.691 -10.673 1.00 0.00 C ATOM 232 CE1 PHE A 19 -4.270 -0.208 -8.090 1.00 0.00 C ATOM 233 CE2 PHE A 19 -3.772 -0.654 -10.386 1.00 0.00 C ATOM 234 CZ PHE A 19 -3.951 -1.103 -9.092 1.00 0.00 C ATOM 0 H PHE A 19 -4.030 5.552 -10.506 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.183 3.749 -8.352 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.340 3.411 -9.603 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.418 3.187 -11.076 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.660 1.830 -7.595 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.772 1.038 -11.686 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.410 -0.558 -7.078 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.523 -1.352 -11.172 1.00 0.00 H new ATOM 0 HZ PHE A 19 -3.842 -2.153 -8.864 1.00 0.00 H new ATOM 244 N HIS A 20 -0.840 3.825 -9.373 1.00 0.00 N ATOM 245 CA HIS A 20 0.492 3.519 -9.884 1.00 0.00 C ATOM 246 C HIS A 20 0.843 2.054 -9.644 1.00 0.00 C ATOM 247 O HIS A 20 1.965 1.731 -9.254 1.00 0.00 O ATOM 248 CB HIS A 20 1.535 4.422 -9.223 1.00 0.00 C ATOM 249 CG HIS A 20 1.262 5.884 -9.404 1.00 0.00 C ATOM 250 ND1 HIS A 20 2.132 6.736 -10.050 1.00 0.00 N ATOM 251 CD2 HIS A 20 0.209 6.643 -9.020 1.00 0.00 C ATOM 252 CE1 HIS A 20 1.627 7.956 -10.054 1.00 0.00 C ATOM 253 NE2 HIS A 20 0.460 7.927 -9.436 1.00 0.00 N ATOM 0 H HIS A 20 -0.849 4.252 -8.447 1.00 0.00 H new ATOM 0 HA HIS A 20 0.493 3.702 -10.958 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.575 4.197 -8.157 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.517 4.190 -9.635 1.00 0.00 H new ATOM 0 HD1 HIS A 20 3.026 6.466 -10.461 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.666 6.302 -8.486 1.00 0.00 H new ATOM 0 HE1 HIS A 20 2.090 8.830 -10.489 1.00 0.00 H new ATOM 261 N GLY A 21 -0.124 1.173 -9.877 1.00 0.00 N ATOM 262 CA GLY A 21 0.104 -0.247 -9.680 1.00 0.00 C ATOM 263 C GLY A 21 0.951 -0.534 -8.457 1.00 0.00 C ATOM 264 O GLY A 21 0.866 0.176 -7.454 1.00 0.00 O ATOM 0 H GLY A 21 -1.061 1.416 -10.198 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.855 -0.756 -9.581 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.594 -0.659 -10.562 1.00 0.00 H new ATOM 268 N ALA A 22 1.769 -1.578 -8.537 1.00 0.00 N ATOM 269 CA ALA A 22 2.635 -1.957 -7.427 1.00 0.00 C ATOM 270 C ALA A 22 4.004 -1.295 -7.548 1.00 0.00 C ATOM 271 O ALA A 22 4.885 -1.796 -8.248 1.00 0.00 O ATOM 272 CB ALA A 22 2.782 -3.470 -7.364 1.00 0.00 C ATOM 0 H ALA A 22 1.850 -2.177 -9.359 1.00 0.00 H new ATOM 0 HA ALA A 22 2.173 -1.610 -6.503 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.431 -3.738 -6.530 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.802 -3.925 -7.222 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.218 -3.832 -8.295 1.00 0.00 H new ATOM 278 N ILE A 23 4.175 -0.169 -6.865 1.00 0.00 N ATOM 279 CA ILE A 23 5.438 0.560 -6.897 1.00 0.00 C ATOM 280 C ILE A 23 6.216 0.367 -5.600 1.00 0.00 C ATOM 281 O ILE A 23 5.696 -0.176 -4.627 1.00 0.00 O ATOM 282 CB ILE A 23 5.212 2.066 -7.128 1.00 0.00 C ATOM 283 CG1 ILE A 23 4.128 2.592 -6.186 1.00 0.00 C ATOM 284 CG2 ILE A 23 4.835 2.328 -8.578 1.00 0.00 C ATOM 285 CD1 ILE A 23 4.107 4.100 -6.070 1.00 0.00 C ATOM 0 H ILE A 23 3.455 0.259 -6.282 1.00 0.00 H new ATOM 0 HA ILE A 23 6.016 0.156 -7.728 1.00 0.00 H new ATOM 0 HB ILE A 23 6.140 2.595 -6.913 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.155 2.249 -6.538 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.279 2.162 -5.196 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.678 3.397 -8.726 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.638 1.985 -9.230 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.918 1.790 -8.818 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.314 4.401 -5.386 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.067 4.449 -5.689 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.926 4.538 -7.052 1.00 0.00 H new ATOM 297 N SER A 24 7.468 0.816 -5.596 1.00 0.00 N ATOM 298 CA SER A 24 8.320 0.691 -4.420 1.00 0.00 C ATOM 299 C SER A 24 8.308 1.978 -3.601 1.00 0.00 C ATOM 300 O SER A 24 8.286 3.077 -4.153 1.00 0.00 O ATOM 301 CB SER A 24 9.753 0.352 -4.836 1.00 0.00 C ATOM 302 OG SER A 24 10.442 -0.317 -3.794 1.00 0.00 O ATOM 0 H SER A 24 7.914 1.269 -6.394 1.00 0.00 H new ATOM 0 HA SER A 24 7.927 -0.116 -3.802 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.737 -0.275 -5.727 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.285 1.266 -5.099 1.00 0.00 H new ATOM 0 HG SER A 24 11.354 -0.524 -4.085 1.00 0.00 H new ATOM 308 N ARG A 25 8.322 1.831 -2.280 1.00 0.00 N ATOM 309 CA ARG A 25 8.312 2.981 -1.384 1.00 0.00 C ATOM 310 C ARG A 25 9.117 4.137 -1.971 1.00 0.00 C ATOM 311 O ARG A 25 8.737 5.299 -1.841 1.00 0.00 O ATOM 312 CB ARG A 25 8.879 2.594 -0.016 1.00 0.00 C ATOM 313 CG ARG A 25 8.306 3.406 1.133 1.00 0.00 C ATOM 314 CD ARG A 25 9.306 3.545 2.270 1.00 0.00 C ATOM 315 NE ARG A 25 9.338 2.358 3.120 1.00 0.00 N ATOM 316 CZ ARG A 25 8.340 1.998 3.919 1.00 0.00 C ATOM 317 NH1 ARG A 25 7.236 2.731 3.977 1.00 0.00 N ATOM 318 NH2 ARG A 25 8.444 0.903 4.661 1.00 0.00 N ATOM 0 H ARG A 25 8.340 0.927 -1.807 1.00 0.00 H new ATOM 0 HA ARG A 25 7.278 3.306 -1.264 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.682 1.537 0.164 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.962 2.718 -0.033 1.00 0.00 H new ATOM 0 HG2 ARG A 25 8.021 4.395 0.774 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.399 2.927 1.501 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.300 3.723 1.859 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.050 4.416 2.873 1.00 0.00 H new ATOM 0 HE ARG A 25 10.173 1.773 3.099 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.152 3.573 3.407 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.471 2.453 4.591 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.291 0.337 4.618 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.677 0.628 5.274 1.00 0.00 H new ATOM 332 N GLU A 26 10.232 3.806 -2.617 1.00 0.00 N ATOM 333 CA GLU A 26 11.090 4.817 -3.223 1.00 0.00 C ATOM 334 C GLU A 26 10.389 5.493 -4.398 1.00 0.00 C ATOM 335 O GLU A 26 10.406 6.718 -4.523 1.00 0.00 O ATOM 336 CB GLU A 26 12.403 4.188 -3.693 1.00 0.00 C ATOM 337 CG GLU A 26 13.085 3.339 -2.633 1.00 0.00 C ATOM 338 CD GLU A 26 14.048 4.139 -1.776 1.00 0.00 C ATOM 339 OE1 GLU A 26 14.696 5.060 -2.316 1.00 0.00 O ATOM 340 OE2 GLU A 26 14.153 3.843 -0.569 1.00 0.00 O ATOM 0 H GLU A 26 10.561 2.848 -2.734 1.00 0.00 H new ATOM 0 HA GLU A 26 11.306 5.572 -2.468 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.207 3.571 -4.570 1.00 0.00 H new ATOM 0 HB3 GLU A 26 13.084 4.980 -4.006 1.00 0.00 H new ATOM 0 HG2 GLU A 26 12.328 2.884 -1.994 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.625 2.525 -3.117 1.00 0.00 H new ATOM 347 N ASP A 27 9.773 4.687 -5.255 1.00 0.00 N ATOM 348 CA ASP A 27 9.064 5.206 -6.419 1.00 0.00 C ATOM 349 C ASP A 27 7.975 6.189 -6.000 1.00 0.00 C ATOM 350 O ASP A 27 7.938 7.327 -6.467 1.00 0.00 O ATOM 351 CB ASP A 27 8.451 4.060 -7.224 1.00 0.00 C ATOM 352 CG ASP A 27 9.448 3.420 -8.171 1.00 0.00 C ATOM 353 OD1 ASP A 27 9.863 4.092 -9.138 1.00 0.00 O ATOM 354 OD2 ASP A 27 9.812 2.246 -7.946 1.00 0.00 O ATOM 0 H ASP A 27 9.750 3.671 -5.166 1.00 0.00 H new ATOM 0 HA ASP A 27 9.784 5.734 -7.044 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.067 3.304 -6.539 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.601 4.434 -7.794 1.00 0.00 H new ATOM 359 N ALA A 28 7.091 5.740 -5.116 1.00 0.00 N ATOM 360 CA ALA A 28 6.001 6.579 -4.632 1.00 0.00 C ATOM 361 C ALA A 28 6.508 7.962 -4.235 1.00 0.00 C ATOM 362 O ALA A 28 6.065 8.974 -4.779 1.00 0.00 O ATOM 363 CB ALA A 28 5.304 5.913 -3.455 1.00 0.00 C ATOM 0 H ALA A 28 7.108 4.800 -4.720 1.00 0.00 H new ATOM 0 HA ALA A 28 5.283 6.702 -5.443 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.493 6.551 -3.104 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.899 4.951 -3.769 1.00 0.00 H new ATOM 0 HB3 ALA A 28 6.020 5.760 -2.648 1.00 0.00 H new ATOM 369 N GLU A 29 7.435 7.997 -3.285 1.00 0.00 N ATOM 370 CA GLU A 29 8.000 9.257 -2.816 1.00 0.00 C ATOM 371 C GLU A 29 8.612 10.043 -3.972 1.00 0.00 C ATOM 372 O GLU A 29 8.425 11.254 -4.081 1.00 0.00 O ATOM 373 CB GLU A 29 9.061 8.998 -1.743 1.00 0.00 C ATOM 374 CG GLU A 29 8.477 8.651 -0.383 1.00 0.00 C ATOM 375 CD GLU A 29 9.456 8.894 0.750 1.00 0.00 C ATOM 376 OE1 GLU A 29 10.675 8.745 0.524 1.00 0.00 O ATOM 377 OE2 GLU A 29 9.001 9.233 1.862 1.00 0.00 O ATOM 0 H GLU A 29 7.811 7.168 -2.825 1.00 0.00 H new ATOM 0 HA GLU A 29 7.193 9.849 -2.384 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.706 8.183 -2.071 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.690 9.883 -1.644 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.578 9.244 -0.215 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.174 7.604 -0.378 1.00 0.00 H new ATOM 384 N ASN A 30 9.345 9.345 -4.833 1.00 0.00 N ATOM 385 CA ASN A 30 9.986 9.976 -5.980 1.00 0.00 C ATOM 386 C ASN A 30 8.947 10.444 -6.994 1.00 0.00 C ATOM 387 O ASN A 30 9.215 11.322 -7.815 1.00 0.00 O ATOM 388 CB ASN A 30 10.962 9.004 -6.645 1.00 0.00 C ATOM 389 CG ASN A 30 12.320 8.996 -5.970 1.00 0.00 C ATOM 390 OD1 ASN A 30 12.507 9.606 -4.918 1.00 0.00 O ATOM 391 ND2 ASN A 30 13.278 8.302 -6.575 1.00 0.00 N ATOM 0 H ASN A 30 9.510 8.341 -4.758 1.00 0.00 H new ATOM 0 HA ASN A 30 10.537 10.846 -5.623 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.542 7.999 -6.622 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.082 9.275 -7.694 1.00 0.00 H new ATOM 0 HD21 ASN A 30 14.212 8.260 -6.168 1.00 0.00 H new ATOM 0 HD22 ASN A 30 13.079 7.811 -7.447 1.00 0.00 H new ATOM 398 N LEU A 31 7.759 9.851 -6.931 1.00 0.00 N ATOM 399 CA LEU A 31 6.678 10.208 -7.844 1.00 0.00 C ATOM 400 C LEU A 31 5.993 11.497 -7.401 1.00 0.00 C ATOM 401 O LEU A 31 5.536 12.286 -8.229 1.00 0.00 O ATOM 402 CB LEU A 31 5.655 9.074 -7.920 1.00 0.00 C ATOM 403 CG LEU A 31 5.939 7.980 -8.951 1.00 0.00 C ATOM 404 CD1 LEU A 31 5.301 6.667 -8.527 1.00 0.00 C ATOM 405 CD2 LEU A 31 5.438 8.400 -10.326 1.00 0.00 C ATOM 0 H LEU A 31 7.520 9.122 -6.259 1.00 0.00 H new ATOM 0 HA LEU A 31 7.108 10.369 -8.832 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.585 8.609 -6.937 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.679 9.507 -8.139 1.00 0.00 H new ATOM 0 HG LEU A 31 7.018 7.833 -9.008 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.514 5.901 -9.273 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.708 6.359 -7.564 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.222 6.798 -8.440 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.648 7.610 -11.047 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.363 8.576 -10.284 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.943 9.316 -10.633 1.00 0.00 H new ATOM 417 N LEU A 32 5.928 11.705 -6.090 1.00 0.00 N ATOM 418 CA LEU A 32 5.302 12.901 -5.537 1.00 0.00 C ATOM 419 C LEU A 32 6.330 14.008 -5.329 1.00 0.00 C ATOM 420 O LEU A 32 5.992 15.191 -5.343 1.00 0.00 O ATOM 421 CB LEU A 32 4.614 12.571 -4.209 1.00 0.00 C ATOM 422 CG LEU A 32 3.634 11.398 -4.234 1.00 0.00 C ATOM 423 CD1 LEU A 32 3.381 10.884 -2.826 1.00 0.00 C ATOM 424 CD2 LEU A 32 2.327 11.811 -4.897 1.00 0.00 C ATOM 0 H LEU A 32 6.301 11.062 -5.391 1.00 0.00 H new ATOM 0 HA LEU A 32 4.556 13.254 -6.249 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.384 12.360 -3.467 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.079 13.458 -3.870 1.00 0.00 H new ATOM 0 HG LEU A 32 4.076 10.591 -4.818 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.681 10.049 -2.864 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.321 10.550 -2.386 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.959 11.684 -2.217 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.640 10.964 -4.907 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.880 12.634 -4.339 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.523 12.131 -5.920 1.00 0.00 H new ATOM 436 N GLU A 33 7.585 13.615 -5.138 1.00 0.00 N ATOM 437 CA GLU A 33 8.662 14.576 -4.929 1.00 0.00 C ATOM 438 C GLU A 33 8.653 15.648 -6.015 1.00 0.00 C ATOM 439 O GLU A 33 8.705 16.842 -5.722 1.00 0.00 O ATOM 440 CB GLU A 33 10.016 13.861 -4.914 1.00 0.00 C ATOM 441 CG GLU A 33 10.664 13.756 -6.284 1.00 0.00 C ATOM 442 CD GLU A 33 12.038 13.117 -6.232 1.00 0.00 C ATOM 443 OE1 GLU A 33 12.740 13.300 -5.216 1.00 0.00 O ATOM 444 OE2 GLU A 33 12.411 12.432 -7.209 1.00 0.00 O ATOM 0 H GLU A 33 7.881 12.639 -5.124 1.00 0.00 H new ATOM 0 HA GLU A 33 8.502 15.059 -3.965 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.690 14.392 -4.242 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.884 12.859 -4.506 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.021 13.172 -6.942 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.747 14.752 -6.720 1.00 0.00 H new ATOM 451 N SER A 34 8.587 15.212 -7.269 1.00 0.00 N ATOM 452 CA SER A 34 8.575 16.134 -8.399 1.00 0.00 C ATOM 453 C SER A 34 7.153 16.590 -8.712 1.00 0.00 C ATOM 454 O SER A 34 6.864 17.033 -9.823 1.00 0.00 O ATOM 455 CB SER A 34 9.193 15.471 -9.631 1.00 0.00 C ATOM 456 OG SER A 34 10.606 15.580 -9.615 1.00 0.00 O ATOM 0 H SER A 34 8.541 14.227 -7.528 1.00 0.00 H new ATOM 0 HA SER A 34 9.168 17.008 -8.130 1.00 0.00 H new ATOM 0 HB2 SER A 34 8.907 14.420 -9.664 1.00 0.00 H new ATOM 0 HB3 SER A 34 8.800 15.937 -10.534 1.00 0.00 H new ATOM 0 HG SER A 34 10.977 15.147 -10.412 1.00 0.00 H new ATOM 462 N GLN A 35 6.271 16.480 -7.724 1.00 0.00 N ATOM 463 CA GLN A 35 4.880 16.881 -7.894 1.00 0.00 C ATOM 464 C GLN A 35 4.512 17.997 -6.922 1.00 0.00 C ATOM 465 O GLN A 35 5.122 18.158 -5.865 1.00 0.00 O ATOM 466 CB GLN A 35 3.952 15.682 -7.686 1.00 0.00 C ATOM 467 CG GLN A 35 3.985 14.683 -8.831 1.00 0.00 C ATOM 468 CD GLN A 35 3.441 15.259 -10.124 1.00 0.00 C ATOM 469 OE1 GLN A 35 2.288 15.683 -10.192 1.00 0.00 O ATOM 470 NE2 GLN A 35 4.272 15.277 -11.159 1.00 0.00 N ATOM 0 H GLN A 35 6.495 16.117 -6.798 1.00 0.00 H new ATOM 0 HA GLN A 35 4.758 17.254 -8.911 1.00 0.00 H new ATOM 0 HB2 GLN A 35 4.230 15.174 -6.763 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.931 16.041 -7.557 1.00 0.00 H new ATOM 0 HG2 GLN A 35 5.011 14.351 -8.989 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.404 13.803 -8.557 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.220 14.915 -11.058 1.00 0.00 H new ATOM 0 HE22 GLN A 35 3.962 15.653 -12.055 1.00 0.00 H new ATOM 479 N PRO A 36 3.492 18.788 -7.287 1.00 0.00 N ATOM 480 CA PRO A 36 3.020 19.903 -6.461 1.00 0.00 C ATOM 481 C PRO A 36 2.326 19.429 -5.189 1.00 0.00 C ATOM 482 O PRO A 36 1.741 18.346 -5.155 1.00 0.00 O ATOM 483 CB PRO A 36 2.028 20.626 -7.375 1.00 0.00 C ATOM 484 CG PRO A 36 1.555 19.579 -8.323 1.00 0.00 C ATOM 485 CD PRO A 36 2.721 18.654 -8.535 1.00 0.00 C ATOM 0 HA PRO A 36 3.841 20.533 -6.118 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.200 21.048 -6.806 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.505 21.452 -7.903 1.00 0.00 H new ATOM 0 HG2 PRO A 36 0.699 19.041 -7.915 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.233 20.023 -9.265 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.395 17.627 -8.698 1.00 0.00 H new ATOM 0 HD3 PRO A 36 3.311 18.943 -9.405 1.00 0.00 H new ATOM 493 N LEU A 37 2.393 20.247 -4.145 1.00 0.00 N ATOM 494 CA LEU A 37 1.770 19.912 -2.869 1.00 0.00 C ATOM 495 C LEU A 37 0.310 19.517 -3.064 1.00 0.00 C ATOM 496 O LEU A 37 -0.465 20.250 -3.678 1.00 0.00 O ATOM 497 CB LEU A 37 1.867 21.096 -1.905 1.00 0.00 C ATOM 498 CG LEU A 37 1.946 20.745 -0.419 1.00 0.00 C ATOM 499 CD1 LEU A 37 0.739 19.920 0.001 1.00 0.00 C ATOM 500 CD2 LEU A 37 3.237 19.999 -0.115 1.00 0.00 C ATOM 0 H LEU A 37 2.872 21.147 -4.157 1.00 0.00 H new ATOM 0 HA LEU A 37 2.303 19.062 -2.444 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.748 21.681 -2.167 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.000 21.738 -2.061 1.00 0.00 H new ATOM 0 HG LEU A 37 1.942 21.672 0.154 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.813 19.680 1.062 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.172 20.491 -0.179 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.710 18.997 -0.578 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.276 19.757 0.947 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.271 19.079 -0.698 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.090 20.626 -0.376 1.00 0.00 H new ATOM 512 N GLY A 38 -0.060 18.355 -2.533 1.00 0.00 N ATOM 513 CA GLY A 38 -1.427 17.885 -2.657 1.00 0.00 C ATOM 514 C GLY A 38 -1.539 16.653 -3.533 1.00 0.00 C ATOM 515 O GLY A 38 -2.505 15.896 -3.433 1.00 0.00 O ATOM 0 H GLY A 38 0.563 17.731 -2.019 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -1.822 17.660 -1.666 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.045 18.680 -3.073 1.00 0.00 H new ATOM 519 N SER A 39 -0.549 16.451 -4.397 1.00 0.00 N ATOM 520 CA SER A 39 -0.543 15.304 -5.298 1.00 0.00 C ATOM 521 C SER A 39 -0.624 13.998 -4.516 1.00 0.00 C ATOM 522 O SER A 39 0.284 13.659 -3.755 1.00 0.00 O ATOM 523 CB SER A 39 0.718 15.317 -6.165 1.00 0.00 C ATOM 524 OG SER A 39 0.922 16.590 -6.751 1.00 0.00 O ATOM 0 H SER A 39 0.259 17.066 -4.492 1.00 0.00 H new ATOM 0 HA SER A 39 -1.419 15.375 -5.943 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.583 15.050 -5.558 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.633 14.563 -6.947 1.00 0.00 H new ATOM 0 HG SER A 39 1.533 17.113 -6.192 1.00 0.00 H new ATOM 530 N PHE A 40 -1.716 13.267 -4.708 1.00 0.00 N ATOM 531 CA PHE A 40 -1.917 11.996 -4.021 1.00 0.00 C ATOM 532 C PHE A 40 -1.755 10.824 -4.983 1.00 0.00 C ATOM 533 O PHE A 40 -1.788 10.999 -6.202 1.00 0.00 O ATOM 534 CB PHE A 40 -3.305 11.955 -3.377 1.00 0.00 C ATOM 535 CG PHE A 40 -4.424 11.846 -4.374 1.00 0.00 C ATOM 536 CD1 PHE A 40 -4.858 10.606 -4.814 1.00 0.00 C ATOM 537 CD2 PHE A 40 -5.041 12.983 -4.869 1.00 0.00 C ATOM 538 CE1 PHE A 40 -5.888 10.501 -5.731 1.00 0.00 C ATOM 539 CE2 PHE A 40 -6.071 12.885 -5.786 1.00 0.00 C ATOM 540 CZ PHE A 40 -6.495 11.643 -6.218 1.00 0.00 C ATOM 0 H PHE A 40 -2.476 13.533 -5.334 1.00 0.00 H new ATOM 0 HA PHE A 40 -1.159 11.909 -3.242 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.355 11.108 -2.693 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.447 12.856 -2.780 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.386 9.711 -4.436 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -4.714 13.957 -4.535 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -6.217 9.528 -6.066 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -6.544 13.779 -6.165 1.00 0.00 H new ATOM 0 HZ PHE A 40 -7.299 11.565 -6.935 1.00 0.00 H new ATOM 550 N LEU A 41 -1.580 9.630 -4.428 1.00 0.00 N ATOM 551 CA LEU A 41 -1.412 8.428 -5.238 1.00 0.00 C ATOM 552 C LEU A 41 -1.503 7.174 -4.375 1.00 0.00 C ATOM 553 O LEU A 41 -1.238 7.215 -3.172 1.00 0.00 O ATOM 554 CB LEU A 41 -0.067 8.463 -5.965 1.00 0.00 C ATOM 555 CG LEU A 41 1.142 7.973 -5.166 1.00 0.00 C ATOM 556 CD1 LEU A 41 1.194 8.655 -3.807 1.00 0.00 C ATOM 557 CD2 LEU A 41 1.098 6.461 -5.006 1.00 0.00 C ATOM 0 H LEU A 41 -1.551 9.468 -3.421 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.215 8.400 -5.974 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.149 7.859 -6.868 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.124 9.488 -6.283 1.00 0.00 H new ATOM 0 HG LEU A 41 2.047 8.233 -5.715 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.060 8.295 -3.252 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.274 9.733 -3.944 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.285 8.426 -3.250 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.966 6.130 -4.435 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.187 6.177 -4.479 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.110 5.991 -5.989 1.00 0.00 H new ATOM 569 N ILE A 42 -1.878 6.060 -4.995 1.00 0.00 N ATOM 570 CA ILE A 42 -2.001 4.793 -4.284 1.00 0.00 C ATOM 571 C ILE A 42 -1.209 3.693 -4.982 1.00 0.00 C ATOM 572 O ILE A 42 -1.146 3.642 -6.210 1.00 0.00 O ATOM 573 CB ILE A 42 -3.472 4.355 -4.165 1.00 0.00 C ATOM 574 CG1 ILE A 42 -4.295 5.439 -3.466 1.00 0.00 C ATOM 575 CG2 ILE A 42 -3.573 3.037 -3.413 1.00 0.00 C ATOM 576 CD1 ILE A 42 -5.767 5.105 -3.358 1.00 0.00 C ATOM 0 H ILE A 42 -2.102 6.009 -5.989 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.596 4.951 -3.284 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.875 4.210 -5.167 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.893 5.601 -2.466 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.182 6.377 -4.010 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.619 2.741 -3.337 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.016 2.269 -3.949 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.156 3.156 -2.413 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.288 5.918 -2.852 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.184 4.972 -4.356 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.890 4.184 -2.788 1.00 0.00 H new ATOM 588 N ARG A 43 -0.606 2.812 -4.189 1.00 0.00 N ATOM 589 CA ARG A 43 0.180 1.711 -4.729 1.00 0.00 C ATOM 590 C ARG A 43 -0.110 0.415 -3.979 1.00 0.00 C ATOM 591 O ARG A 43 -0.258 0.412 -2.756 1.00 0.00 O ATOM 592 CB ARG A 43 1.673 2.036 -4.648 1.00 0.00 C ATOM 593 CG ARG A 43 2.183 2.207 -3.227 1.00 0.00 C ATOM 594 CD ARG A 43 2.056 3.648 -2.759 1.00 0.00 C ATOM 595 NE ARG A 43 3.112 4.012 -1.817 1.00 0.00 N ATOM 596 CZ ARG A 43 3.240 3.472 -0.611 1.00 0.00 C ATOM 597 NH1 ARG A 43 2.382 2.546 -0.201 1.00 0.00 N ATOM 598 NH2 ARG A 43 4.226 3.855 0.189 1.00 0.00 N ATOM 0 H ARG A 43 -0.648 2.840 -3.170 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.101 1.576 -5.774 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.236 1.239 -5.134 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.868 2.951 -5.207 1.00 0.00 H new ATOM 0 HG2 ARG A 43 1.622 1.555 -2.557 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.227 1.897 -3.174 1.00 0.00 H new ATOM 0 HD2 ARG A 43 2.094 4.314 -3.621 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.084 3.792 -2.287 1.00 0.00 H new ATOM 0 HE ARG A 43 3.788 4.720 -2.102 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.622 2.248 -0.813 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.482 2.132 0.726 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.888 4.566 -0.122 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.322 3.439 1.115 1.00 0.00 H new ATOM 612 N VAL A 44 -0.191 -0.686 -4.719 1.00 0.00 N ATOM 613 CA VAL A 44 -0.463 -1.989 -4.124 1.00 0.00 C ATOM 614 C VAL A 44 0.543 -2.313 -3.025 1.00 0.00 C ATOM 615 O VAL A 44 1.753 -2.289 -3.250 1.00 0.00 O ATOM 616 CB VAL A 44 -0.427 -3.108 -5.182 1.00 0.00 C ATOM 617 CG1 VAL A 44 -1.086 -4.371 -4.647 1.00 0.00 C ATOM 618 CG2 VAL A 44 -1.102 -2.649 -6.466 1.00 0.00 C ATOM 0 H VAL A 44 -0.072 -0.702 -5.732 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.463 -1.937 -3.694 1.00 0.00 H new ATOM 0 HB VAL A 44 0.615 -3.337 -5.407 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.051 -5.150 -5.408 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.555 -4.709 -3.757 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.124 -4.159 -4.392 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.067 -3.452 -7.202 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.141 -2.391 -6.259 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.582 -1.775 -6.858 1.00 0.00 H new ATOM 628 N SER A 45 0.034 -2.615 -1.835 1.00 0.00 N ATOM 629 CA SER A 45 0.888 -2.940 -0.698 1.00 0.00 C ATOM 630 C SER A 45 1.310 -4.406 -0.738 1.00 0.00 C ATOM 631 O SER A 45 0.751 -5.205 -1.489 1.00 0.00 O ATOM 632 CB SER A 45 0.160 -2.644 0.614 1.00 0.00 C ATOM 633 OG SER A 45 1.064 -2.629 1.706 1.00 0.00 O ATOM 0 H SER A 45 -0.965 -2.641 -1.633 1.00 0.00 H new ATOM 0 HA SER A 45 1.782 -2.320 -0.757 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.346 -1.681 0.544 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.609 -3.397 0.785 1.00 0.00 H new ATOM 0 HG SER A 45 0.575 -2.436 2.533 1.00 0.00 H new ATOM 639 N HIS A 46 2.304 -4.751 0.075 1.00 0.00 N ATOM 640 CA HIS A 46 2.803 -6.120 0.135 1.00 0.00 C ATOM 641 C HIS A 46 2.815 -6.632 1.571 1.00 0.00 C ATOM 642 O HIS A 46 2.641 -7.826 1.817 1.00 0.00 O ATOM 643 CB HIS A 46 4.209 -6.199 -0.459 1.00 0.00 C ATOM 644 CG HIS A 46 4.290 -5.715 -1.875 1.00 0.00 C ATOM 645 ND1 HIS A 46 4.539 -6.551 -2.943 1.00 0.00 N ATOM 646 CD2 HIS A 46 4.150 -4.473 -2.396 1.00 0.00 C ATOM 647 CE1 HIS A 46 4.552 -5.844 -4.058 1.00 0.00 C ATOM 648 NE2 HIS A 46 4.318 -4.581 -3.755 1.00 0.00 N ATOM 0 H HIS A 46 2.779 -4.101 0.701 1.00 0.00 H new ATOM 0 HA HIS A 46 2.133 -6.750 -0.450 1.00 0.00 H new ATOM 0 HB2 HIS A 46 4.888 -5.610 0.157 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.555 -7.232 -0.416 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.945 -3.567 -1.846 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.725 -6.233 -5.050 1.00 0.00 H new ATOM 0 HE2 HIS A 46 4.270 -3.810 -4.422 1.00 0.00 H new ATOM 656 N SER A 47 3.022 -5.722 2.518 1.00 0.00 N ATOM 657 CA SER A 47 3.062 -6.082 3.930 1.00 0.00 C ATOM 658 C SER A 47 1.713 -6.629 4.389 1.00 0.00 C ATOM 659 O SER A 47 1.610 -7.778 4.818 1.00 0.00 O ATOM 660 CB SER A 47 3.449 -4.869 4.777 1.00 0.00 C ATOM 661 OG SER A 47 3.794 -5.257 6.096 1.00 0.00 O ATOM 0 H SER A 47 3.165 -4.729 2.332 1.00 0.00 H new ATOM 0 HA SER A 47 3.814 -6.861 4.060 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.290 -4.352 4.315 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.619 -4.163 4.808 1.00 0.00 H new ATOM 0 HG SER A 47 4.039 -4.464 6.617 1.00 0.00 H new ATOM 667 N HIS A 48 0.682 -5.795 4.297 1.00 0.00 N ATOM 668 CA HIS A 48 -0.662 -6.193 4.701 1.00 0.00 C ATOM 669 C HIS A 48 -1.554 -6.410 3.484 1.00 0.00 C ATOM 670 O HIS A 48 -1.275 -5.901 2.399 1.00 0.00 O ATOM 671 CB HIS A 48 -1.276 -5.134 5.618 1.00 0.00 C ATOM 672 CG HIS A 48 -1.811 -3.945 4.882 1.00 0.00 C ATOM 673 ND1 HIS A 48 -1.196 -2.711 4.896 1.00 0.00 N ATOM 674 CD2 HIS A 48 -2.913 -3.805 4.107 1.00 0.00 C ATOM 675 CE1 HIS A 48 -1.896 -1.864 4.162 1.00 0.00 C ATOM 676 NE2 HIS A 48 -2.942 -2.504 3.671 1.00 0.00 N ATOM 0 H HIS A 48 0.751 -4.840 3.946 1.00 0.00 H new ATOM 0 HA HIS A 48 -0.587 -7.134 5.245 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -2.082 -5.587 6.195 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -0.522 -4.801 6.331 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -3.635 -4.574 3.875 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -1.654 -0.825 3.992 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -3.655 -2.097 3.066 1.00 0.00 H new ATOM 684 N VAL A 49 -2.630 -7.168 3.672 1.00 0.00 N ATOM 685 CA VAL A 49 -3.565 -7.451 2.589 1.00 0.00 C ATOM 686 C VAL A 49 -4.485 -6.264 2.332 1.00 0.00 C ATOM 687 O VAL A 49 -5.410 -6.004 3.100 1.00 0.00 O ATOM 688 CB VAL A 49 -4.421 -8.693 2.898 1.00 0.00 C ATOM 689 CG1 VAL A 49 -5.639 -8.741 1.988 1.00 0.00 C ATOM 690 CG2 VAL A 49 -3.592 -9.960 2.759 1.00 0.00 C ATOM 0 H VAL A 49 -2.876 -7.597 4.564 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.968 -7.643 1.697 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.769 -8.626 3.929 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.232 -9.625 2.221 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.244 -7.847 2.142 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.315 -8.785 0.948 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.213 -10.828 2.981 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.213 -10.037 1.740 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.755 -9.925 3.456 1.00 0.00 H new ATOM 700 N GLY A 50 -4.224 -5.543 1.245 1.00 0.00 N ATOM 701 CA GLY A 50 -5.038 -4.391 0.905 1.00 0.00 C ATOM 702 C GLY A 50 -4.300 -3.397 0.031 1.00 0.00 C ATOM 703 O GLY A 50 -3.775 -3.758 -1.023 1.00 0.00 O ATOM 0 H GLY A 50 -3.463 -5.737 0.594 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.938 -4.726 0.389 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.361 -3.895 1.820 1.00 0.00 H new ATOM 707 N TYR A 51 -4.260 -2.143 0.467 1.00 0.00 N ATOM 708 CA TYR A 51 -3.584 -1.093 -0.286 1.00 0.00 C ATOM 709 C TYR A 51 -3.028 -0.025 0.650 1.00 0.00 C ATOM 710 O TYR A 51 -3.102 -0.152 1.872 1.00 0.00 O ATOM 711 CB TYR A 51 -4.547 -0.456 -1.290 1.00 0.00 C ATOM 712 CG TYR A 51 -5.143 -1.444 -2.268 1.00 0.00 C ATOM 713 CD1 TYR A 51 -6.121 -2.345 -1.867 1.00 0.00 C ATOM 714 CD2 TYR A 51 -4.726 -1.475 -3.594 1.00 0.00 C ATOM 715 CE1 TYR A 51 -6.667 -3.249 -2.758 1.00 0.00 C ATOM 716 CE2 TYR A 51 -5.267 -2.375 -4.490 1.00 0.00 C ATOM 717 CZ TYR A 51 -6.237 -3.260 -4.068 1.00 0.00 C ATOM 718 OH TYR A 51 -6.778 -4.158 -4.958 1.00 0.00 O ATOM 0 H TYR A 51 -4.688 -1.829 1.338 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.753 -1.546 -0.827 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -5.354 0.035 -0.746 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -4.019 0.319 -1.846 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.460 -2.339 -0.842 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -3.967 -0.784 -3.928 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -7.427 -3.943 -2.430 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -4.932 -2.386 -5.517 1.00 0.00 H new ATOM 0 HH TYR A 51 -6.367 -4.034 -5.839 1.00 0.00 H new ATOM 728 N THR A 52 -2.467 1.031 0.065 1.00 0.00 N ATOM 729 CA THR A 52 -1.896 2.122 0.845 1.00 0.00 C ATOM 730 C THR A 52 -1.975 3.441 0.084 1.00 0.00 C ATOM 731 O THR A 52 -1.579 3.523 -1.079 1.00 0.00 O ATOM 732 CB THR A 52 -0.427 1.841 1.212 1.00 0.00 C ATOM 733 OG1 THR A 52 -0.337 0.647 1.996 1.00 0.00 O ATOM 734 CG2 THR A 52 0.170 3.008 1.984 1.00 0.00 C ATOM 0 H THR A 52 -2.397 1.153 -0.945 1.00 0.00 H new ATOM 0 HA THR A 52 -2.483 2.198 1.760 1.00 0.00 H new ATOM 0 HB THR A 52 0.137 1.711 0.288 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.215 0.440 2.378 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.208 2.787 2.232 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.127 3.909 1.372 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.397 3.165 2.902 1.00 0.00 H new ATOM 742 N LEU A 53 -2.489 4.470 0.747 1.00 0.00 N ATOM 743 CA LEU A 53 -2.620 5.788 0.134 1.00 0.00 C ATOM 744 C LEU A 53 -1.509 6.720 0.605 1.00 0.00 C ATOM 745 O LEU A 53 -1.074 6.653 1.754 1.00 0.00 O ATOM 746 CB LEU A 53 -3.985 6.393 0.464 1.00 0.00 C ATOM 747 CG LEU A 53 -4.152 7.881 0.154 1.00 0.00 C ATOM 748 CD1 LEU A 53 -4.608 8.079 -1.283 1.00 0.00 C ATOM 749 CD2 LEU A 53 -5.138 8.520 1.121 1.00 0.00 C ATOM 0 H LEU A 53 -2.822 4.418 1.710 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.535 5.669 -0.946 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.747 5.840 -0.085 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.181 6.239 1.525 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.185 8.369 0.277 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.721 9.144 -1.485 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.866 7.658 -1.961 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.564 7.577 -1.434 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.244 9.579 0.885 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.107 8.029 1.030 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.770 8.410 2.141 1.00 0.00 H new ATOM 761 N SER A 54 -1.057 7.592 -0.290 1.00 0.00 N ATOM 762 CA SER A 54 0.005 8.539 0.033 1.00 0.00 C ATOM 763 C SER A 54 -0.112 9.799 -0.820 1.00 0.00 C ATOM 764 O SER A 54 -0.587 9.752 -1.954 1.00 0.00 O ATOM 765 CB SER A 54 1.376 7.892 -0.177 1.00 0.00 C ATOM 766 OG SER A 54 1.599 6.854 0.762 1.00 0.00 O ATOM 0 H SER A 54 -1.409 7.663 -1.245 1.00 0.00 H new ATOM 0 HA SER A 54 -0.099 8.820 1.081 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.442 7.492 -1.189 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.156 8.647 -0.082 1.00 0.00 H new ATOM 0 HG SER A 54 2.267 7.144 1.418 1.00 0.00 H new ATOM 772 N TYR A 55 0.325 10.923 -0.264 1.00 0.00 N ATOM 773 CA TYR A 55 0.268 12.197 -0.971 1.00 0.00 C ATOM 774 C TYR A 55 1.245 13.200 -0.366 1.00 0.00 C ATOM 775 O TYR A 55 1.567 13.134 0.821 1.00 0.00 O ATOM 776 CB TYR A 55 -1.152 12.763 -0.932 1.00 0.00 C ATOM 777 CG TYR A 55 -1.627 13.109 0.462 1.00 0.00 C ATOM 778 CD1 TYR A 55 -1.159 14.242 1.115 1.00 0.00 C ATOM 779 CD2 TYR A 55 -2.545 12.303 1.124 1.00 0.00 C ATOM 780 CE1 TYR A 55 -1.590 14.561 2.388 1.00 0.00 C ATOM 781 CE2 TYR A 55 -2.983 12.615 2.396 1.00 0.00 C ATOM 782 CZ TYR A 55 -2.503 13.745 3.024 1.00 0.00 C ATOM 783 OH TYR A 55 -2.936 14.061 4.292 1.00 0.00 O ATOM 0 H TYR A 55 0.722 10.978 0.674 1.00 0.00 H new ATOM 0 HA TYR A 55 0.553 12.021 -2.008 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.195 13.657 -1.554 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.836 12.036 -1.370 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -0.446 14.884 0.619 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -2.923 11.417 0.635 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -1.214 15.444 2.883 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.697 11.978 2.896 1.00 0.00 H new ATOM 0 HH TYR A 55 -3.687 14.688 4.234 1.00 0.00 H new ATOM 793 N LYS A 56 1.713 14.131 -1.190 1.00 0.00 N ATOM 794 CA LYS A 56 2.652 15.152 -0.738 1.00 0.00 C ATOM 795 C LYS A 56 2.006 16.065 0.298 1.00 0.00 C ATOM 796 O LYS A 56 0.920 16.601 0.077 1.00 0.00 O ATOM 797 CB LYS A 56 3.145 15.982 -1.926 1.00 0.00 C ATOM 798 CG LYS A 56 4.497 16.633 -1.692 1.00 0.00 C ATOM 799 CD LYS A 56 5.638 15.699 -2.059 1.00 0.00 C ATOM 800 CE LYS A 56 6.961 16.184 -1.487 1.00 0.00 C ATOM 801 NZ LYS A 56 7.904 15.058 -1.242 1.00 0.00 N ATOM 0 H LYS A 56 1.458 14.200 -2.175 1.00 0.00 H new ATOM 0 HA LYS A 56 3.501 14.649 -0.275 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.207 15.341 -2.806 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.411 16.757 -2.147 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.569 17.546 -2.283 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.586 16.923 -0.645 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.424 14.698 -1.686 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.715 15.625 -3.144 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.416 16.895 -2.176 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.780 16.716 -0.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.421 15.225 -0.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 7.371 14.168 -1.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.580 14.994 -2.030 1.00 0.00 H new ATOM 815 N ALA A 57 2.681 16.237 1.430 1.00 0.00 N ATOM 816 CA ALA A 57 2.174 17.088 2.500 1.00 0.00 C ATOM 817 C ALA A 57 3.133 18.238 2.788 1.00 0.00 C ATOM 818 O ALA A 57 4.350 18.064 2.761 1.00 0.00 O ATOM 819 CB ALA A 57 1.937 16.267 3.759 1.00 0.00 C ATOM 0 H ALA A 57 3.580 15.798 1.630 1.00 0.00 H new ATOM 0 HA ALA A 57 1.225 17.514 2.174 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.559 16.915 4.550 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.208 15.484 3.551 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.875 15.813 4.079 1.00 0.00 H new ATOM 825 N GLN A 58 2.576 19.413 3.063 1.00 0.00 N ATOM 826 CA GLN A 58 3.382 20.592 3.355 1.00 0.00 C ATOM 827 C GLN A 58 4.635 20.214 4.138 1.00 0.00 C ATOM 828 O GLN A 58 5.712 20.763 3.909 1.00 0.00 O ATOM 829 CB GLN A 58 2.563 21.615 4.142 1.00 0.00 C ATOM 830 CG GLN A 58 1.707 22.515 3.264 1.00 0.00 C ATOM 831 CD GLN A 58 1.425 23.858 3.906 1.00 0.00 C ATOM 832 OE1 GLN A 58 1.615 24.037 5.110 1.00 0.00 O ATOM 833 NE2 GLN A 58 0.968 24.813 3.105 1.00 0.00 N ATOM 0 H GLN A 58 1.569 19.574 3.090 1.00 0.00 H new ATOM 0 HA GLN A 58 3.688 21.035 2.407 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.918 21.088 4.845 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.240 22.234 4.732 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.211 22.671 2.310 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.763 22.014 3.048 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.825 24.622 2.113 1.00 0.00 H new ATOM 0 HE22 GLN A 58 0.760 25.738 3.481 1.00 0.00 H new ATOM 842 N SER A 59 4.485 19.273 5.066 1.00 0.00 N ATOM 843 CA SER A 59 5.602 18.825 5.887 1.00 0.00 C ATOM 844 C SER A 59 6.460 17.812 5.133 1.00 0.00 C ATOM 845 O SER A 59 7.637 18.053 4.870 1.00 0.00 O ATOM 846 CB SER A 59 5.090 18.206 7.191 1.00 0.00 C ATOM 847 OG SER A 59 4.869 19.201 8.174 1.00 0.00 O ATOM 0 H SER A 59 3.600 18.807 5.267 1.00 0.00 H new ATOM 0 HA SER A 59 6.218 19.693 6.122 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.163 17.665 7.001 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.813 17.479 7.561 1.00 0.00 H new ATOM 0 HG SER A 59 4.541 18.781 8.996 1.00 0.00 H new ATOM 853 N SER A 60 5.858 16.677 4.790 1.00 0.00 N ATOM 854 CA SER A 60 6.566 15.626 4.069 1.00 0.00 C ATOM 855 C SER A 60 5.603 14.529 3.625 1.00 0.00 C ATOM 856 O SER A 60 4.498 14.405 4.156 1.00 0.00 O ATOM 857 CB SER A 60 7.667 15.028 4.948 1.00 0.00 C ATOM 858 OG SER A 60 7.136 14.080 5.857 1.00 0.00 O ATOM 0 H SER A 60 4.883 16.462 5.000 1.00 0.00 H new ATOM 0 HA SER A 60 7.019 16.069 3.182 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.420 14.552 4.320 1.00 0.00 H new ATOM 0 HB3 SER A 60 8.169 15.823 5.499 1.00 0.00 H new ATOM 0 HG SER A 60 7.860 13.712 6.406 1.00 0.00 H new ATOM 864 N CYS A 61 6.030 13.735 2.649 1.00 0.00 N ATOM 865 CA CYS A 61 5.206 12.648 2.132 1.00 0.00 C ATOM 866 C CYS A 61 4.576 11.854 3.272 1.00 0.00 C ATOM 867 O CYS A 61 5.206 11.623 4.303 1.00 0.00 O ATOM 868 CB CYS A 61 6.043 11.721 1.250 1.00 0.00 C ATOM 869 SG CYS A 61 6.188 12.267 -0.467 1.00 0.00 S ATOM 0 H CYS A 61 6.942 13.824 2.200 1.00 0.00 H new ATOM 0 HA CYS A 61 4.407 13.084 1.532 1.00 0.00 H new ATOM 0 HB2 CYS A 61 7.042 11.634 1.678 1.00 0.00 H new ATOM 0 HB3 CYS A 61 5.601 10.725 1.267 1.00 0.00 H new ATOM 0 HG CYS A 61 7.439 12.258 -0.821 1.00 0.00 H new ATOM 875 N CYS A 62 3.328 11.441 3.078 1.00 0.00 N ATOM 876 CA CYS A 62 2.610 10.675 4.090 1.00 0.00 C ATOM 877 C CYS A 62 2.255 9.285 3.570 1.00 0.00 C ATOM 878 O CYS A 62 2.189 9.095 2.357 1.00 0.00 O ATOM 879 CB CYS A 62 1.341 11.414 4.515 1.00 0.00 C ATOM 880 SG CYS A 62 0.383 12.087 3.136 1.00 0.00 S ATOM 0 H CYS A 62 2.793 11.624 2.229 1.00 0.00 H new ATOM 0 HA CYS A 62 3.263 10.563 4.956 1.00 0.00 H new ATOM 0 HB2 CYS A 62 0.709 10.732 5.084 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.615 12.229 5.185 1.00 0.00 H new ATOM 0 HG CYS A 62 1.184 12.669 2.294 1.00 0.00 H new ATOM 886 N HIS A 63 2.038 8.356 4.488 1.00 0.00 N ATOM 887 CA HIS A 63 1.694 6.996 4.109 1.00 0.00 C ATOM 888 C HIS A 63 0.569 6.481 5.010 1.00 0.00 C ATOM 889 O HIS A 63 0.663 6.480 6.238 1.00 0.00 O ATOM 890 CB HIS A 63 2.931 6.096 4.133 1.00 0.00 C ATOM 891 CG HIS A 63 3.990 6.482 3.128 1.00 0.00 C ATOM 892 ND1 HIS A 63 3.853 6.253 1.770 1.00 0.00 N ATOM 893 CD2 HIS A 63 5.202 7.082 3.298 1.00 0.00 C ATOM 894 CE1 HIS A 63 4.940 6.700 1.160 1.00 0.00 C ATOM 895 NE2 HIS A 63 5.776 7.213 2.108 1.00 0.00 N ATOM 0 H HIS A 63 2.094 8.518 5.494 1.00 0.00 H new ATOM 0 HA HIS A 63 1.326 6.983 3.083 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.366 6.121 5.132 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.623 5.067 3.945 1.00 0.00 H new ATOM 0 HD1 HIS A 63 3.051 5.815 1.316 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.624 7.397 4.241 1.00 0.00 H new ATOM 0 HE1 HIS A 63 5.131 6.665 0.098 1.00 0.00 H new ATOM 903 N PHE A 64 -0.508 6.040 4.367 1.00 0.00 N ATOM 904 CA PHE A 64 -1.666 5.518 5.084 1.00 0.00 C ATOM 905 C PHE A 64 -2.003 4.106 4.616 1.00 0.00 C ATOM 906 O PHE A 64 -2.162 3.858 3.421 1.00 0.00 O ATOM 907 CB PHE A 64 -2.872 6.438 4.884 1.00 0.00 C ATOM 908 CG PHE A 64 -2.552 7.894 5.056 1.00 0.00 C ATOM 909 CD1 PHE A 64 -2.478 8.456 6.321 1.00 0.00 C ATOM 910 CD2 PHE A 64 -2.324 8.703 3.954 1.00 0.00 C ATOM 911 CE1 PHE A 64 -2.185 9.797 6.482 1.00 0.00 C ATOM 912 CE2 PHE A 64 -2.029 10.044 4.109 1.00 0.00 C ATOM 913 CZ PHE A 64 -1.958 10.591 5.375 1.00 0.00 C ATOM 0 H PHE A 64 -0.603 6.034 3.351 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.420 5.480 6.145 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.278 6.279 3.885 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -3.652 6.160 5.593 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -2.651 7.839 7.190 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.378 8.280 2.962 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.134 10.224 7.473 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.854 10.663 3.242 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.725 11.638 5.499 1.00 0.00 H new ATOM 923 N MET A 65 -2.113 3.184 5.567 1.00 0.00 N ATOM 924 CA MET A 65 -2.433 1.796 5.253 1.00 0.00 C ATOM 925 C MET A 65 -3.940 1.603 5.123 1.00 0.00 C ATOM 926 O MET A 65 -4.712 2.101 5.942 1.00 0.00 O ATOM 927 CB MET A 65 -1.877 0.865 6.333 1.00 0.00 C ATOM 928 CG MET A 65 -2.711 0.845 7.604 1.00 0.00 C ATOM 929 SD MET A 65 -2.188 -0.441 8.756 1.00 0.00 S ATOM 930 CE MET A 65 -2.739 -1.911 7.893 1.00 0.00 C ATOM 0 H MET A 65 -1.985 3.373 6.561 1.00 0.00 H new ATOM 0 HA MET A 65 -1.970 1.548 4.298 1.00 0.00 H new ATOM 0 HB2 MET A 65 -1.815 -0.147 5.933 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.861 1.173 6.579 1.00 0.00 H new ATOM 0 HG2 MET A 65 -2.643 1.816 8.094 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.758 0.691 7.345 1.00 0.00 H new ATOM 0 HE1 MET A 65 -3.327 -2.531 8.569 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.352 -1.623 7.039 1.00 0.00 H new ATOM 0 HE3 MET A 65 -1.873 -2.474 7.545 1.00 0.00 H new ATOM 940 N VAL A 66 -4.352 0.874 4.090 1.00 0.00 N ATOM 941 CA VAL A 66 -5.767 0.614 3.854 1.00 0.00 C ATOM 942 C VAL A 66 -6.070 -0.879 3.928 1.00 0.00 C ATOM 943 O VAL A 66 -5.735 -1.637 3.018 1.00 0.00 O ATOM 944 CB VAL A 66 -6.215 1.150 2.482 1.00 0.00 C ATOM 945 CG1 VAL A 66 -7.709 0.938 2.287 1.00 0.00 C ATOM 946 CG2 VAL A 66 -5.854 2.622 2.342 1.00 0.00 C ATOM 0 H VAL A 66 -3.726 0.453 3.404 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.320 1.134 4.636 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.690 0.595 1.705 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.007 1.323 1.312 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.936 -0.127 2.341 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -8.256 1.466 3.068 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.178 2.985 1.366 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.351 3.195 3.125 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.775 2.742 2.434 1.00 0.00 H new ATOM 956 N LYS A 67 -6.708 -1.295 5.017 1.00 0.00 N ATOM 957 CA LYS A 67 -7.059 -2.696 5.211 1.00 0.00 C ATOM 958 C LYS A 67 -8.331 -3.049 4.446 1.00 0.00 C ATOM 959 O LYS A 67 -9.135 -2.173 4.122 1.00 0.00 O ATOM 960 CB LYS A 67 -7.246 -2.995 6.700 1.00 0.00 C ATOM 961 CG LYS A 67 -6.182 -2.369 7.584 1.00 0.00 C ATOM 962 CD LYS A 67 -6.443 -2.650 9.055 1.00 0.00 C ATOM 963 CE LYS A 67 -7.524 -1.736 9.613 1.00 0.00 C ATOM 964 NZ LYS A 67 -7.928 -2.132 10.990 1.00 0.00 N ATOM 0 H LYS A 67 -6.993 -0.680 5.780 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.243 -3.306 4.825 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.226 -2.635 7.014 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.241 -4.075 6.849 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.202 -2.758 7.307 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.156 -1.292 7.417 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.744 -3.690 9.180 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.522 -2.514 9.622 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.161 -0.708 9.622 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.395 -1.761 8.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.666 -1.485 11.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.298 -3.104 10.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.103 -2.084 11.621 1.00 0.00 H new ATOM 978 N LEU A 68 -8.509 -4.334 4.163 1.00 0.00 N ATOM 979 CA LEU A 68 -9.685 -4.802 3.439 1.00 0.00 C ATOM 980 C LEU A 68 -10.663 -5.500 4.380 1.00 0.00 C ATOM 981 O LEU A 68 -10.515 -6.685 4.678 1.00 0.00 O ATOM 982 CB LEU A 68 -9.271 -5.756 2.317 1.00 0.00 C ATOM 983 CG LEU A 68 -10.182 -5.784 1.089 1.00 0.00 C ATOM 984 CD1 LEU A 68 -9.722 -6.850 0.107 1.00 0.00 C ATOM 985 CD2 LEU A 68 -11.627 -6.025 1.503 1.00 0.00 C ATOM 0 H LEU A 68 -7.854 -5.071 4.424 1.00 0.00 H new ATOM 0 HA LEU A 68 -10.183 -3.935 3.006 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.265 -5.488 1.992 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -9.216 -6.765 2.727 1.00 0.00 H new ATOM 0 HG LEU A 68 -10.123 -4.815 0.594 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -10.382 -6.855 -0.760 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.703 -6.634 -0.214 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -9.751 -7.827 0.590 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.261 -6.042 0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -11.702 -6.981 2.021 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -11.953 -5.225 2.168 1.00 0.00 H new ATOM 997 N LEU A 69 -11.662 -4.757 4.842 1.00 0.00 N ATOM 998 CA LEU A 69 -12.667 -5.303 5.747 1.00 0.00 C ATOM 999 C LEU A 69 -13.225 -6.619 5.211 1.00 0.00 C ATOM 1000 O LEU A 69 -12.864 -7.058 4.119 1.00 0.00 O ATOM 1001 CB LEU A 69 -13.802 -4.299 5.949 1.00 0.00 C ATOM 1002 CG LEU A 69 -13.426 -2.993 6.650 1.00 0.00 C ATOM 1003 CD1 LEU A 69 -12.277 -3.220 7.620 1.00 0.00 C ATOM 1004 CD2 LEU A 69 -13.060 -1.925 5.629 1.00 0.00 C ATOM 0 H LEU A 69 -11.798 -3.774 4.605 1.00 0.00 H new ATOM 0 HA LEU A 69 -12.188 -5.496 6.707 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -14.223 -4.056 4.973 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -14.590 -4.783 6.525 1.00 0.00 H new ATOM 0 HG LEU A 69 -14.290 -2.645 7.216 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -12.023 -2.280 8.110 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.574 -3.952 8.371 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.409 -3.591 7.075 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -12.795 -1.003 6.146 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -12.211 -2.265 5.036 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -13.911 -1.742 4.973 1.00 0.00 H new ATOM 1016 N ASP A 70 -14.109 -7.238 5.984 1.00 0.00 N ATOM 1017 CA ASP A 70 -14.721 -8.501 5.586 1.00 0.00 C ATOM 1018 C ASP A 70 -15.943 -8.259 4.707 1.00 0.00 C ATOM 1019 O ASP A 70 -16.350 -9.131 3.938 1.00 0.00 O ATOM 1020 CB ASP A 70 -15.118 -9.312 6.821 1.00 0.00 C ATOM 1021 CG ASP A 70 -14.010 -10.234 7.288 1.00 0.00 C ATOM 1022 OD1 ASP A 70 -13.417 -10.930 6.438 1.00 0.00 O ATOM 1023 OD2 ASP A 70 -13.734 -10.260 8.506 1.00 0.00 O ATOM 0 H ASP A 70 -14.418 -6.886 6.890 1.00 0.00 H new ATOM 0 HA ASP A 70 -13.988 -9.066 5.010 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -15.385 -8.631 7.629 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -16.006 -9.902 6.595 1.00 0.00 H new ATOM 1028 N ASP A 71 -16.524 -7.070 4.824 1.00 0.00 N ATOM 1029 CA ASP A 71 -17.701 -6.714 4.040 1.00 0.00 C ATOM 1030 C ASP A 71 -17.311 -6.354 2.610 1.00 0.00 C ATOM 1031 O ASP A 71 -18.156 -5.963 1.805 1.00 0.00 O ATOM 1032 CB ASP A 71 -18.438 -5.543 4.691 1.00 0.00 C ATOM 1033 CG ASP A 71 -19.333 -5.984 5.832 1.00 0.00 C ATOM 1034 OD1 ASP A 71 -20.028 -7.009 5.678 1.00 0.00 O ATOM 1035 OD2 ASP A 71 -19.338 -5.304 6.879 1.00 0.00 O ATOM 0 H ASP A 71 -16.199 -6.337 5.454 1.00 0.00 H new ATOM 0 HA ASP A 71 -18.364 -7.579 4.011 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -17.711 -4.821 5.062 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -19.039 -5.032 3.938 1.00 0.00 H new ATOM 1040 N GLY A 72 -16.025 -6.485 2.300 1.00 0.00 N ATOM 1041 CA GLY A 72 -15.545 -6.170 0.967 1.00 0.00 C ATOM 1042 C GLY A 72 -15.264 -4.690 0.789 1.00 0.00 C ATOM 1043 O GLY A 72 -15.079 -4.217 -0.332 1.00 0.00 O ATOM 0 H GLY A 72 -15.306 -6.804 2.949 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -14.635 -6.736 0.768 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -16.285 -6.488 0.233 1.00 0.00 H new ATOM 1047 N THR A 73 -15.234 -3.957 1.898 1.00 0.00 N ATOM 1048 CA THR A 73 -14.976 -2.523 1.858 1.00 0.00 C ATOM 1049 C THR A 73 -13.572 -2.203 2.360 1.00 0.00 C ATOM 1050 O THR A 73 -12.868 -3.078 2.864 1.00 0.00 O ATOM 1051 CB THR A 73 -16.002 -1.745 2.703 1.00 0.00 C ATOM 1052 OG1 THR A 73 -15.909 -2.144 4.075 1.00 0.00 O ATOM 1053 CG2 THR A 73 -17.415 -1.984 2.195 1.00 0.00 C ATOM 0 H THR A 73 -15.385 -4.333 2.834 1.00 0.00 H new ATOM 0 HA THR A 73 -15.065 -2.214 0.817 1.00 0.00 H new ATOM 0 HB THR A 73 -15.778 -0.682 2.618 1.00 0.00 H new ATOM 0 HG1 THR A 73 -16.563 -1.644 4.606 1.00 0.00 H new ATOM 0 HG21 THR A 73 -18.122 -1.424 2.808 1.00 0.00 H new ATOM 0 HG22 THR A 73 -17.490 -1.652 1.159 1.00 0.00 H new ATOM 0 HG23 THR A 73 -17.648 -3.047 2.253 1.00 0.00 H new ATOM 1061 N PHE A 74 -13.172 -0.943 2.221 1.00 0.00 N ATOM 1062 CA PHE A 74 -11.852 -0.508 2.661 1.00 0.00 C ATOM 1063 C PHE A 74 -11.963 0.644 3.656 1.00 0.00 C ATOM 1064 O PHE A 74 -12.665 1.624 3.412 1.00 0.00 O ATOM 1065 CB PHE A 74 -11.007 -0.078 1.459 1.00 0.00 C ATOM 1066 CG PHE A 74 -10.966 -1.100 0.360 1.00 0.00 C ATOM 1067 CD1 PHE A 74 -12.095 -1.369 -0.397 1.00 0.00 C ATOM 1068 CD2 PHE A 74 -9.798 -1.793 0.083 1.00 0.00 C ATOM 1069 CE1 PHE A 74 -12.060 -2.308 -1.411 1.00 0.00 C ATOM 1070 CE2 PHE A 74 -9.757 -2.733 -0.930 1.00 0.00 C ATOM 1071 CZ PHE A 74 -10.891 -2.992 -1.676 1.00 0.00 C ATOM 0 H PHE A 74 -13.743 -0.206 1.807 1.00 0.00 H new ATOM 0 HA PHE A 74 -11.366 -1.348 3.157 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -11.404 0.856 1.061 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -9.990 0.125 1.794 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -13.013 -0.839 -0.192 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -8.910 -1.596 0.665 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -12.947 -2.506 -1.995 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.840 -3.264 -1.138 1.00 0.00 H new ATOM 0 HZ PHE A 74 -10.863 -3.729 -2.465 1.00 0.00 H new ATOM 1081 N MET A 75 -11.265 0.516 4.780 1.00 0.00 N ATOM 1082 CA MET A 75 -11.284 1.545 5.813 1.00 0.00 C ATOM 1083 C MET A 75 -9.891 1.756 6.396 1.00 0.00 C ATOM 1084 O MET A 75 -9.187 0.795 6.708 1.00 0.00 O ATOM 1085 CB MET A 75 -12.263 1.164 6.924 1.00 0.00 C ATOM 1086 CG MET A 75 -12.107 2.000 8.184 1.00 0.00 C ATOM 1087 SD MET A 75 -13.654 2.183 9.092 1.00 0.00 S ATOM 1088 CE MET A 75 -13.354 3.716 9.969 1.00 0.00 C ATOM 0 H MET A 75 -10.679 -0.290 4.998 1.00 0.00 H new ATOM 0 HA MET A 75 -11.611 2.478 5.355 1.00 0.00 H new ATOM 0 HB2 MET A 75 -13.282 1.270 6.551 1.00 0.00 H new ATOM 0 HB3 MET A 75 -12.123 0.113 7.176 1.00 0.00 H new ATOM 0 HG2 MET A 75 -11.362 1.538 8.832 1.00 0.00 H new ATOM 0 HG3 MET A 75 -11.728 2.986 7.916 1.00 0.00 H new ATOM 0 HE1 MET A 75 -14.305 4.157 10.267 1.00 0.00 H new ATOM 0 HE2 MET A 75 -12.753 3.516 10.856 1.00 0.00 H new ATOM 0 HE3 MET A 75 -12.821 4.409 9.318 1.00 0.00 H new ATOM 1098 N ILE A 76 -9.499 3.018 6.540 1.00 0.00 N ATOM 1099 CA ILE A 76 -8.190 3.352 7.087 1.00 0.00 C ATOM 1100 C ILE A 76 -8.215 3.354 8.612 1.00 0.00 C ATOM 1101 O ILE A 76 -9.159 3.832 9.241 1.00 0.00 O ATOM 1102 CB ILE A 76 -7.709 4.729 6.592 1.00 0.00 C ATOM 1103 CG1 ILE A 76 -7.585 4.732 5.066 1.00 0.00 C ATOM 1104 CG2 ILE A 76 -6.379 5.089 7.237 1.00 0.00 C ATOM 1105 CD1 ILE A 76 -7.434 6.116 4.475 1.00 0.00 C ATOM 0 H ILE A 76 -10.069 3.825 6.286 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.497 2.586 6.738 1.00 0.00 H new ATOM 0 HB ILE A 76 -8.445 5.479 6.880 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -6.725 4.127 4.778 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -8.467 4.257 4.637 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.052 6.065 6.877 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.497 5.123 8.320 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -5.633 4.338 6.977 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.352 6.042 3.391 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -8.305 6.718 4.732 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.536 6.587 4.876 1.00 0.00 H new ATOM 1117 N PRO A 77 -7.153 2.807 9.222 1.00 0.00 N ATOM 1118 CA PRO A 77 -7.028 2.735 10.680 1.00 0.00 C ATOM 1119 C PRO A 77 -6.808 4.106 11.312 1.00 0.00 C ATOM 1120 O PRO A 77 -5.680 4.480 11.630 1.00 0.00 O ATOM 1121 CB PRO A 77 -5.798 1.848 10.888 1.00 0.00 C ATOM 1122 CG PRO A 77 -4.997 2.014 9.642 1.00 0.00 C ATOM 1123 CD PRO A 77 -5.992 2.218 8.533 1.00 0.00 C ATOM 0 HA PRO A 77 -7.934 2.348 11.147 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.232 2.156 11.767 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.082 0.807 11.041 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.322 2.866 9.723 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.379 1.135 9.455 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -5.603 2.882 7.761 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -6.249 1.278 8.045 1.00 0.00 H new ATOM 1131 N GLY A 78 -7.895 4.850 11.492 1.00 0.00 N ATOM 1132 CA GLY A 78 -7.799 6.172 12.085 1.00 0.00 C ATOM 1133 C GLY A 78 -8.961 7.066 11.700 1.00 0.00 C ATOM 1134 O GLY A 78 -9.193 8.096 12.330 1.00 0.00 O ATOM 0 H GLY A 78 -8.840 4.562 11.238 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.761 6.078 13.170 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -6.865 6.640 11.773 1.00 0.00 H new ATOM 1138 N GLU A 79 -9.690 6.671 10.662 1.00 0.00 N ATOM 1139 CA GLU A 79 -10.832 7.447 10.192 1.00 0.00 C ATOM 1140 C GLU A 79 -12.130 6.929 10.804 1.00 0.00 C ATOM 1141 O GLU A 79 -12.205 5.787 11.259 1.00 0.00 O ATOM 1142 CB GLU A 79 -10.920 7.394 8.665 1.00 0.00 C ATOM 1143 CG GLU A 79 -9.975 8.359 7.968 1.00 0.00 C ATOM 1144 CD GLU A 79 -10.554 9.755 7.842 1.00 0.00 C ATOM 1145 OE1 GLU A 79 -11.792 9.876 7.741 1.00 0.00 O ATOM 1146 OE2 GLU A 79 -9.768 10.725 7.845 1.00 0.00 O ATOM 0 H GLU A 79 -9.511 5.819 10.130 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.689 8.481 10.505 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.701 6.380 8.332 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.943 7.616 8.360 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.038 8.407 8.522 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.739 7.977 6.975 1.00 0.00 H new ATOM 1153 N LYS A 80 -13.153 7.778 10.815 1.00 0.00 N ATOM 1154 CA LYS A 80 -14.450 7.409 11.371 1.00 0.00 C ATOM 1155 C LYS A 80 -15.427 7.028 10.264 1.00 0.00 C ATOM 1156 O LYS A 80 -16.641 7.022 10.470 1.00 0.00 O ATOM 1157 CB LYS A 80 -15.021 8.564 12.196 1.00 0.00 C ATOM 1158 CG LYS A 80 -14.011 9.196 13.139 1.00 0.00 C ATOM 1159 CD LYS A 80 -13.099 8.152 13.759 1.00 0.00 C ATOM 1160 CE LYS A 80 -11.851 8.786 14.356 1.00 0.00 C ATOM 1161 NZ LYS A 80 -11.176 7.878 15.324 1.00 0.00 N ATOM 0 H LYS A 80 -13.109 8.727 10.445 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.308 6.544 12.019 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -15.402 9.329 11.519 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -15.869 8.200 12.776 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -13.412 9.927 12.596 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -14.536 9.736 13.927 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.640 7.610 14.535 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -12.811 7.423 13.002 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -11.157 9.045 13.556 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -12.120 9.716 14.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -10.153 8.068 15.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -11.558 8.042 16.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -11.345 6.889 15.049 1.00 0.00 H new ATOM 1175 N VAL A 81 -14.890 6.709 9.090 1.00 0.00 N ATOM 1176 CA VAL A 81 -15.717 6.325 7.952 1.00 0.00 C ATOM 1177 C VAL A 81 -14.955 5.401 7.008 1.00 0.00 C ATOM 1178 O VAL A 81 -13.725 5.366 7.015 1.00 0.00 O ATOM 1179 CB VAL A 81 -16.198 7.559 7.165 1.00 0.00 C ATOM 1180 CG1 VAL A 81 -17.543 8.035 7.692 1.00 0.00 C ATOM 1181 CG2 VAL A 81 -15.165 8.672 7.236 1.00 0.00 C ATOM 0 H VAL A 81 -13.887 6.709 8.903 1.00 0.00 H new ATOM 0 HA VAL A 81 -16.583 5.799 8.353 1.00 0.00 H new ATOM 0 HB VAL A 81 -16.322 7.277 6.120 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -17.868 8.907 7.125 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -18.279 7.238 7.585 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -17.448 8.301 8.745 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -15.521 9.536 6.675 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -15.007 8.956 8.276 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -14.225 8.324 6.808 1.00 0.00 H new ATOM 1191 N ALA A 82 -15.695 4.653 6.196 1.00 0.00 N ATOM 1192 CA ALA A 82 -15.090 3.729 5.245 1.00 0.00 C ATOM 1193 C ALA A 82 -15.585 3.999 3.827 1.00 0.00 C ATOM 1194 O ALA A 82 -16.321 4.957 3.587 1.00 0.00 O ATOM 1195 CB ALA A 82 -15.384 2.291 5.643 1.00 0.00 C ATOM 0 H ALA A 82 -16.715 4.669 6.178 1.00 0.00 H new ATOM 0 HA ALA A 82 -14.011 3.885 5.262 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -14.925 1.613 4.923 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -14.976 2.097 6.635 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -16.462 2.130 5.657 1.00 0.00 H new ATOM 1201 N HIS A 83 -15.176 3.149 2.891 1.00 0.00 N ATOM 1202 CA HIS A 83 -15.578 3.296 1.496 1.00 0.00 C ATOM 1203 C HIS A 83 -15.603 1.943 0.793 1.00 0.00 C ATOM 1204 O HIS A 83 -14.853 1.032 1.146 1.00 0.00 O ATOM 1205 CB HIS A 83 -14.628 4.246 0.767 1.00 0.00 C ATOM 1206 CG HIS A 83 -14.171 5.399 1.607 1.00 0.00 C ATOM 1207 ND1 HIS A 83 -14.934 6.530 1.810 1.00 0.00 N ATOM 1208 CD2 HIS A 83 -13.023 5.591 2.298 1.00 0.00 C ATOM 1209 CE1 HIS A 83 -14.273 7.368 2.588 1.00 0.00 C ATOM 1210 NE2 HIS A 83 -13.112 6.822 2.899 1.00 0.00 N ATOM 0 H HIS A 83 -14.567 2.351 3.073 1.00 0.00 H new ATOM 0 HA HIS A 83 -16.584 3.715 1.475 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -13.756 3.686 0.429 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -15.125 4.631 -0.124 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -12.192 4.904 2.364 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -14.623 8.336 2.915 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -12.397 7.246 3.490 1.00 0.00 H new ATOM 1218 N THR A 84 -16.474 1.816 -0.205 1.00 0.00 N ATOM 1219 CA THR A 84 -16.598 0.574 -0.957 1.00 0.00 C ATOM 1220 C THR A 84 -15.263 0.164 -1.567 1.00 0.00 C ATOM 1221 O THR A 84 -14.890 -1.009 -1.537 1.00 0.00 O ATOM 1222 CB THR A 84 -17.646 0.699 -2.078 1.00 0.00 C ATOM 1223 OG1 THR A 84 -17.377 1.858 -2.874 1.00 0.00 O ATOM 1224 CG2 THR A 84 -19.050 0.790 -1.499 1.00 0.00 C ATOM 0 H THR A 84 -17.103 2.559 -0.510 1.00 0.00 H new ATOM 0 HA THR A 84 -16.921 -0.192 -0.252 1.00 0.00 H new ATOM 0 HB THR A 84 -17.585 -0.192 -2.703 1.00 0.00 H new ATOM 0 HG1 THR A 84 -18.047 1.929 -3.586 1.00 0.00 H new ATOM 0 HG21 THR A 84 -19.773 0.878 -2.310 1.00 0.00 H new ATOM 0 HG22 THR A 84 -19.263 -0.108 -0.918 1.00 0.00 H new ATOM 0 HG23 THR A 84 -19.121 1.665 -0.853 1.00 0.00 H new ATOM 1232 N SER A 85 -14.548 1.138 -2.122 1.00 0.00 N ATOM 1233 CA SER A 85 -13.255 0.878 -2.744 1.00 0.00 C ATOM 1234 C SER A 85 -12.401 2.142 -2.773 1.00 0.00 C ATOM 1235 O SER A 85 -12.868 3.228 -2.426 1.00 0.00 O ATOM 1236 CB SER A 85 -13.446 0.345 -4.165 1.00 0.00 C ATOM 1237 OG SER A 85 -14.019 -0.952 -4.150 1.00 0.00 O ATOM 0 H SER A 85 -14.842 2.114 -2.153 1.00 0.00 H new ATOM 0 HA SER A 85 -12.739 0.126 -2.148 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.087 1.023 -4.728 1.00 0.00 H new ATOM 0 HB3 SER A 85 -12.485 0.316 -4.678 1.00 0.00 H new ATOM 0 HG SER A 85 -14.256 -1.194 -3.231 1.00 0.00 H new ATOM 1243 N LEU A 86 -11.150 1.993 -3.189 1.00 0.00 N ATOM 1244 CA LEU A 86 -10.228 3.122 -3.265 1.00 0.00 C ATOM 1245 C LEU A 86 -10.876 4.305 -3.980 1.00 0.00 C ATOM 1246 O LEU A 86 -10.812 5.440 -3.506 1.00 0.00 O ATOM 1247 CB LEU A 86 -8.946 2.713 -3.991 1.00 0.00 C ATOM 1248 CG LEU A 86 -7.837 2.128 -3.115 1.00 0.00 C ATOM 1249 CD1 LEU A 86 -8.397 1.063 -2.185 1.00 0.00 C ATOM 1250 CD2 LEU A 86 -6.723 1.554 -3.978 1.00 0.00 C ATOM 0 H LEU A 86 -10.749 1.101 -3.479 1.00 0.00 H new ATOM 0 HA LEU A 86 -9.980 3.426 -2.248 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -9.203 1.980 -4.755 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.550 3.587 -4.508 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.420 2.930 -2.505 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.593 0.658 -1.570 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.159 1.505 -1.543 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.841 0.261 -2.775 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.943 1.142 -3.338 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.125 0.765 -4.614 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -6.302 2.343 -4.601 1.00 0.00 H new ATOM 1262 N ASP A 87 -11.498 4.031 -5.121 1.00 0.00 N ATOM 1263 CA ASP A 87 -12.160 5.072 -5.899 1.00 0.00 C ATOM 1264 C ASP A 87 -13.071 5.916 -5.015 1.00 0.00 C ATOM 1265 O ASP A 87 -12.932 7.137 -4.947 1.00 0.00 O ATOM 1266 CB ASP A 87 -12.968 4.450 -7.039 1.00 0.00 C ATOM 1267 CG ASP A 87 -14.053 5.375 -7.552 1.00 0.00 C ATOM 1268 OD1 ASP A 87 -13.719 6.493 -7.999 1.00 0.00 O ATOM 1269 OD2 ASP A 87 -15.238 4.982 -7.506 1.00 0.00 O ATOM 0 H ASP A 87 -11.558 3.098 -5.528 1.00 0.00 H new ATOM 0 HA ASP A 87 -11.391 5.720 -6.320 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -12.296 4.193 -7.858 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -13.420 3.520 -6.694 1.00 0.00 H new ATOM 1274 N ALA A 88 -14.007 5.256 -4.338 1.00 0.00 N ATOM 1275 CA ALA A 88 -14.942 5.946 -3.457 1.00 0.00 C ATOM 1276 C ALA A 88 -14.249 6.417 -2.183 1.00 0.00 C ATOM 1277 O ALA A 88 -14.844 7.118 -1.363 1.00 0.00 O ATOM 1278 CB ALA A 88 -16.115 5.038 -3.119 1.00 0.00 C ATOM 0 H ALA A 88 -14.137 4.245 -4.383 1.00 0.00 H new ATOM 0 HA ALA A 88 -15.317 6.825 -3.981 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -16.805 5.565 -2.461 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -16.632 4.755 -4.036 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -15.749 4.142 -2.618 1.00 0.00 H new ATOM 1284 N LEU A 89 -12.990 6.026 -2.021 1.00 0.00 N ATOM 1285 CA LEU A 89 -12.216 6.408 -0.845 1.00 0.00 C ATOM 1286 C LEU A 89 -11.288 7.577 -1.159 1.00 0.00 C ATOM 1287 O LEU A 89 -10.756 8.221 -0.254 1.00 0.00 O ATOM 1288 CB LEU A 89 -11.400 5.216 -0.338 1.00 0.00 C ATOM 1289 CG LEU A 89 -10.063 5.551 0.322 1.00 0.00 C ATOM 1290 CD1 LEU A 89 -9.623 4.422 1.241 1.00 0.00 C ATOM 1291 CD2 LEU A 89 -9.002 5.827 -0.733 1.00 0.00 C ATOM 0 H LEU A 89 -12.483 5.445 -2.689 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.913 6.721 -0.068 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -12.008 4.664 0.379 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.211 4.547 -1.178 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.192 6.451 0.923 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.669 4.679 1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.373 4.272 2.018 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.511 3.505 0.663 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.057 6.064 -0.245 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -8.875 4.945 -1.361 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -9.313 6.670 -1.350 1.00 0.00 H new ATOM 1303 N VAL A 90 -11.102 7.848 -2.447 1.00 0.00 N ATOM 1304 CA VAL A 90 -10.241 8.942 -2.881 1.00 0.00 C ATOM 1305 C VAL A 90 -11.016 10.251 -2.964 1.00 0.00 C ATOM 1306 O VAL A 90 -10.513 11.309 -2.585 1.00 0.00 O ATOM 1307 CB VAL A 90 -9.607 8.646 -4.253 1.00 0.00 C ATOM 1308 CG1 VAL A 90 -8.702 9.792 -4.681 1.00 0.00 C ATOM 1309 CG2 VAL A 90 -8.837 7.335 -4.213 1.00 0.00 C ATOM 0 H VAL A 90 -11.536 7.325 -3.208 1.00 0.00 H new ATOM 0 HA VAL A 90 -9.451 9.038 -2.136 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.405 8.550 -4.989 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.263 9.565 -5.652 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.286 10.710 -4.752 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.908 9.923 -3.946 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -8.396 7.142 -5.191 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.047 7.400 -3.465 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.516 6.522 -3.954 1.00 0.00 H new ATOM 1319 N THR A 91 -12.247 10.173 -3.460 1.00 0.00 N ATOM 1320 CA THR A 91 -13.094 11.352 -3.593 1.00 0.00 C ATOM 1321 C THR A 91 -13.442 11.937 -2.230 1.00 0.00 C ATOM 1322 O THR A 91 -13.485 13.155 -2.057 1.00 0.00 O ATOM 1323 CB THR A 91 -14.397 11.026 -4.347 1.00 0.00 C ATOM 1324 OG1 THR A 91 -14.099 10.618 -5.687 1.00 0.00 O ATOM 1325 CG2 THR A 91 -15.323 12.233 -4.374 1.00 0.00 C ATOM 0 H THR A 91 -12.680 9.305 -3.776 1.00 0.00 H new ATOM 0 HA THR A 91 -12.526 12.085 -4.165 1.00 0.00 H new ATOM 0 HB THR A 91 -14.900 10.213 -3.823 1.00 0.00 H new ATOM 0 HG1 THR A 91 -14.933 10.411 -6.159 1.00 0.00 H new ATOM 0 HG21 THR A 91 -16.236 11.979 -4.912 1.00 0.00 H new ATOM 0 HG22 THR A 91 -15.572 12.524 -3.353 1.00 0.00 H new ATOM 0 HG23 THR A 91 -14.825 13.062 -4.876 1.00 0.00 H new ATOM 1333 N PHE A 92 -13.689 11.060 -1.261 1.00 0.00 N ATOM 1334 CA PHE A 92 -14.034 11.490 0.088 1.00 0.00 C ATOM 1335 C PHE A 92 -12.818 12.075 0.800 1.00 0.00 C ATOM 1336 O PHE A 92 -12.947 12.948 1.660 1.00 0.00 O ATOM 1337 CB PHE A 92 -14.591 10.314 0.894 1.00 0.00 C ATOM 1338 CG PHE A 92 -15.245 10.725 2.182 1.00 0.00 C ATOM 1339 CD1 PHE A 92 -14.482 11.160 3.254 1.00 0.00 C ATOM 1340 CD2 PHE A 92 -16.623 10.678 2.321 1.00 0.00 C ATOM 1341 CE1 PHE A 92 -15.080 11.540 4.441 1.00 0.00 C ATOM 1342 CE2 PHE A 92 -17.227 11.057 3.505 1.00 0.00 C ATOM 1343 CZ PHE A 92 -16.454 11.487 4.566 1.00 0.00 C ATOM 0 H PHE A 92 -13.656 10.048 -1.386 1.00 0.00 H new ATOM 0 HA PHE A 92 -14.797 12.265 0.011 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -15.316 9.777 0.283 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -13.781 9.618 1.113 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -13.407 11.203 3.161 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -17.232 10.341 1.495 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -14.474 11.878 5.269 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -18.302 11.017 3.601 1.00 0.00 H new ATOM 0 HZ PHE A 92 -16.924 11.782 5.493 1.00 0.00 H new ATOM 1353 N HIS A 93 -11.635 11.590 0.436 1.00 0.00 N ATOM 1354 CA HIS A 93 -10.394 12.065 1.039 1.00 0.00 C ATOM 1355 C HIS A 93 -10.057 13.471 0.551 1.00 0.00 C ATOM 1356 O HIS A 93 -9.395 14.236 1.250 1.00 0.00 O ATOM 1357 CB HIS A 93 -9.246 11.110 0.712 1.00 0.00 C ATOM 1358 CG HIS A 93 -9.092 9.998 1.702 1.00 0.00 C ATOM 1359 ND1 HIS A 93 -9.393 10.134 3.042 1.00 0.00 N ATOM 1360 CD2 HIS A 93 -8.667 8.722 1.543 1.00 0.00 C ATOM 1361 CE1 HIS A 93 -9.159 8.992 3.662 1.00 0.00 C ATOM 1362 NE2 HIS A 93 -8.718 8.119 2.775 1.00 0.00 N ATOM 0 H HIS A 93 -11.509 10.868 -0.274 1.00 0.00 H new ATOM 0 HA HIS A 93 -10.533 12.098 2.120 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -9.409 10.684 -0.278 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -8.316 11.676 0.666 1.00 0.00 H new ATOM 0 HD1 HIS A 93 -9.742 10.984 3.484 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -8.347 8.264 0.619 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -9.304 8.804 4.716 1.00 0.00 H new ATOM 1370 N GLN A 94 -10.518 13.802 -0.650 1.00 0.00 N ATOM 1371 CA GLN A 94 -10.264 15.115 -1.231 1.00 0.00 C ATOM 1372 C GLN A 94 -10.977 16.207 -0.441 1.00 0.00 C ATOM 1373 O GLN A 94 -10.627 17.382 -0.533 1.00 0.00 O ATOM 1374 CB GLN A 94 -10.717 15.147 -2.691 1.00 0.00 C ATOM 1375 CG GLN A 94 -9.662 14.652 -3.667 1.00 0.00 C ATOM 1376 CD GLN A 94 -10.227 14.373 -5.046 1.00 0.00 C ATOM 1377 OE1 GLN A 94 -10.606 13.243 -5.356 1.00 0.00 O ATOM 1378 NE2 GLN A 94 -10.288 15.402 -5.881 1.00 0.00 N ATOM 0 H GLN A 94 -11.070 13.179 -1.240 1.00 0.00 H new ATOM 0 HA GLN A 94 -9.191 15.302 -1.187 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -11.614 14.536 -2.798 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -10.993 16.168 -2.955 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -8.869 15.396 -3.747 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -9.207 13.743 -3.274 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -9.963 16.321 -5.582 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -10.660 15.274 -6.822 1.00 0.00 H new ATOM 1387 N GLN A 95 -11.979 15.809 0.337 1.00 0.00 N ATOM 1388 CA GLN A 95 -12.742 16.755 1.142 1.00 0.00 C ATOM 1389 C GLN A 95 -12.471 16.548 2.629 1.00 0.00 C ATOM 1390 O GLN A 95 -12.572 17.481 3.425 1.00 0.00 O ATOM 1391 CB GLN A 95 -14.239 16.607 0.860 1.00 0.00 C ATOM 1392 CG GLN A 95 -14.576 16.554 -0.621 1.00 0.00 C ATOM 1393 CD GLN A 95 -16.069 16.511 -0.879 1.00 0.00 C ATOM 1394 OE1 GLN A 95 -16.786 17.475 -0.605 1.00 0.00 O ATOM 1395 NE2 GLN A 95 -16.548 15.392 -1.408 1.00 0.00 N ATOM 0 H GLN A 95 -12.281 14.839 0.427 1.00 0.00 H new ATOM 0 HA GLN A 95 -12.425 17.762 0.870 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -14.603 15.698 1.340 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -14.771 17.443 1.316 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -14.150 17.426 -1.118 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -14.109 15.675 -1.065 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -15.919 14.618 -1.620 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -17.545 15.306 -1.603 1.00 0.00 H new ATOM 1404 N LYS A 96 -12.124 15.319 2.996 1.00 0.00 N ATOM 1405 CA LYS A 96 -11.836 14.988 4.386 1.00 0.00 C ATOM 1406 C LYS A 96 -10.433 14.406 4.527 1.00 0.00 C ATOM 1407 O LYS A 96 -10.106 13.367 3.955 1.00 0.00 O ATOM 1408 CB LYS A 96 -12.869 13.992 4.919 1.00 0.00 C ATOM 1409 CG LYS A 96 -14.081 14.653 5.552 1.00 0.00 C ATOM 1410 CD LYS A 96 -13.874 14.891 7.038 1.00 0.00 C ATOM 1411 CE LYS A 96 -14.040 13.608 7.837 1.00 0.00 C ATOM 1412 NZ LYS A 96 -14.490 13.877 9.231 1.00 0.00 N ATOM 0 H LYS A 96 -12.035 14.535 2.349 1.00 0.00 H new ATOM 0 HA LYS A 96 -11.890 15.906 4.971 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -13.200 13.352 4.101 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.392 13.346 5.656 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -14.280 15.602 5.055 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -14.959 14.025 5.402 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -12.878 15.299 7.207 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -14.588 15.635 7.391 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.764 12.962 7.340 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -13.093 13.069 7.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -14.591 12.977 9.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -13.787 14.473 9.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -15.406 14.369 9.211 1.00 0.00 H new ATOM 1426 N PRO A 97 -9.584 15.090 5.309 1.00 0.00 N ATOM 1427 CA PRO A 97 -8.203 14.659 5.545 1.00 0.00 C ATOM 1428 C PRO A 97 -8.128 13.397 6.400 1.00 0.00 C ATOM 1429 O PRO A 97 -9.154 12.813 6.751 1.00 0.00 O ATOM 1430 CB PRO A 97 -7.584 15.844 6.288 1.00 0.00 C ATOM 1431 CG PRO A 97 -8.734 16.524 6.945 1.00 0.00 C ATOM 1432 CD PRO A 97 -9.907 16.337 6.023 1.00 0.00 C ATOM 0 HA PRO A 97 -7.691 14.405 4.617 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.850 15.511 7.022 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -7.067 16.515 5.602 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -8.935 16.091 7.925 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -8.525 17.582 7.101 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -10.843 16.253 6.575 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.016 17.176 5.336 1.00 0.00 H new ATOM 1440 N ILE A 98 -6.910 12.984 6.731 1.00 0.00 N ATOM 1441 CA ILE A 98 -6.702 11.793 7.545 1.00 0.00 C ATOM 1442 C ILE A 98 -6.552 12.154 9.019 1.00 0.00 C ATOM 1443 O ILE A 98 -6.006 13.204 9.357 1.00 0.00 O ATOM 1444 CB ILE A 98 -5.457 11.009 7.090 1.00 0.00 C ATOM 1445 CG1 ILE A 98 -5.253 11.165 5.582 1.00 0.00 C ATOM 1446 CG2 ILE A 98 -5.590 9.541 7.463 1.00 0.00 C ATOM 1447 CD1 ILE A 98 -6.399 10.622 4.757 1.00 0.00 C ATOM 0 H ILE A 98 -6.052 13.457 6.448 1.00 0.00 H new ATOM 0 HA ILE A 98 -7.583 11.165 7.415 1.00 0.00 H new ATOM 0 HB ILE A 98 -4.583 11.415 7.600 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -5.117 12.221 5.349 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -4.334 10.654 5.293 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -4.702 9.000 7.135 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -5.692 9.448 8.544 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -6.471 9.121 6.978 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -6.185 10.767 3.698 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -6.522 9.558 4.960 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -7.317 11.149 5.017 1.00 0.00 H new ATOM 1459 N GLU A 99 -7.037 11.276 9.891 1.00 0.00 N ATOM 1460 CA GLU A 99 -6.954 11.503 11.329 1.00 0.00 C ATOM 1461 C GLU A 99 -5.609 12.115 11.707 1.00 0.00 C ATOM 1462 O GLU A 99 -5.533 13.200 12.285 1.00 0.00 O ATOM 1463 CB GLU A 99 -7.160 10.190 12.088 1.00 0.00 C ATOM 1464 CG GLU A 99 -6.400 10.120 13.401 1.00 0.00 C ATOM 1465 CD GLU A 99 -6.965 9.080 14.348 1.00 0.00 C ATOM 1466 OE1 GLU A 99 -8.160 9.180 14.694 1.00 0.00 O ATOM 1467 OE2 GLU A 99 -6.212 8.165 14.742 1.00 0.00 O ATOM 0 H GLU A 99 -7.491 10.402 9.627 1.00 0.00 H new ATOM 0 HA GLU A 99 -7.743 12.203 11.606 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -8.224 10.058 12.286 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.849 9.361 11.453 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -5.354 9.891 13.199 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -6.425 11.097 13.884 1.00 0.00 H new ATOM 1474 N PRO A 100 -4.521 11.405 11.373 1.00 0.00 N ATOM 1475 CA PRO A 100 -3.159 11.859 11.667 1.00 0.00 C ATOM 1476 C PRO A 100 -2.753 13.061 10.822 1.00 0.00 C ATOM 1477 O PRO A 100 -2.277 14.068 11.347 1.00 0.00 O ATOM 1478 CB PRO A 100 -2.297 10.643 11.317 1.00 0.00 C ATOM 1479 CG PRO A 100 -3.097 9.889 10.311 1.00 0.00 C ATOM 1480 CD PRO A 100 -4.538 10.105 10.682 1.00 0.00 C ATOM 0 HA PRO A 100 -3.054 12.190 12.700 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -1.332 10.946 10.910 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -2.094 10.035 12.198 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.895 10.250 9.302 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.845 8.829 10.327 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -5.181 10.126 9.802 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -4.910 9.311 11.329 1.00 0.00 H new ATOM 1488 N ARG A 101 -2.945 12.949 9.512 1.00 0.00 N ATOM 1489 CA ARG A 101 -2.597 14.028 8.595 1.00 0.00 C ATOM 1490 C ARG A 101 -3.825 14.864 8.248 1.00 0.00 C ATOM 1491 O ARG A 101 -4.782 14.364 7.653 1.00 0.00 O ATOM 1492 CB ARG A 101 -1.977 13.460 7.317 1.00 0.00 C ATOM 1493 CG ARG A 101 -0.696 12.677 7.557 1.00 0.00 C ATOM 1494 CD ARG A 101 0.306 13.485 8.365 1.00 0.00 C ATOM 1495 NE ARG A 101 1.686 13.125 8.046 1.00 0.00 N ATOM 1496 CZ ARG A 101 2.744 13.725 8.578 1.00 0.00 C ATOM 1497 NH1 ARG A 101 2.583 14.710 9.452 1.00 0.00 N ATOM 1498 NH2 ARG A 101 3.967 13.341 8.236 1.00 0.00 N ATOM 0 H ARG A 101 -3.339 12.123 9.062 1.00 0.00 H new ATOM 0 HA ARG A 101 -1.869 14.671 9.090 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -2.703 12.811 6.828 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -1.768 14.279 6.629 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.927 11.751 8.083 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -0.254 12.398 6.601 1.00 0.00 H new ATOM 0 HD2 ARG A 101 0.155 14.547 8.172 1.00 0.00 H new ATOM 0 HD3 ARG A 101 0.127 13.326 9.428 1.00 0.00 H new ATOM 0 HE ARG A 101 1.845 12.371 7.378 1.00 0.00 H new ATOM 0 HH11 ARG A 101 1.644 15.008 9.717 1.00 0.00 H new ATOM 0 HH12 ARG A 101 3.398 15.169 9.859 1.00 0.00 H new ATOM 0 HH21 ARG A 101 4.095 12.584 7.564 1.00 0.00 H new ATOM 0 HH22 ARG A 101 4.780 13.802 8.645 1.00 0.00 H new ATOM 1512 N ARG A 102 -3.794 16.138 8.624 1.00 0.00 N ATOM 1513 CA ARG A 102 -4.905 17.043 8.355 1.00 0.00 C ATOM 1514 C ARG A 102 -4.784 17.653 6.962 1.00 0.00 C ATOM 1515 O ARG A 102 -5.486 18.607 6.629 1.00 0.00 O ATOM 1516 CB ARG A 102 -4.955 18.152 9.407 1.00 0.00 C ATOM 1517 CG ARG A 102 -3.695 19.001 9.456 1.00 0.00 C ATOM 1518 CD ARG A 102 -3.785 20.187 8.510 1.00 0.00 C ATOM 1519 NE ARG A 102 -2.950 21.303 8.950 1.00 0.00 N ATOM 1520 CZ ARG A 102 -3.311 22.163 9.895 1.00 0.00 C ATOM 1521 NH1 ARG A 102 -4.485 22.036 10.499 1.00 0.00 N ATOM 1522 NH2 ARG A 102 -2.496 23.152 10.240 1.00 0.00 N ATOM 0 H ARG A 102 -3.011 16.567 9.116 1.00 0.00 H new ATOM 0 HA ARG A 102 -5.829 16.467 8.402 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -5.810 18.797 9.203 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -5.120 17.705 10.387 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -3.535 19.357 10.474 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -2.832 18.389 9.193 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -3.479 19.878 7.511 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -4.822 20.516 8.439 1.00 0.00 H new ATOM 0 HE ARG A 102 -2.040 21.428 8.507 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -5.113 21.276 10.238 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -4.760 22.698 11.225 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -1.592 23.252 9.779 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -2.774 23.812 10.966 1.00 0.00 H new ATOM 1536 N GLU A 103 -3.888 17.095 6.153 1.00 0.00 N ATOM 1537 CA GLU A 103 -3.675 17.587 4.797 1.00 0.00 C ATOM 1538 C GLU A 103 -4.702 16.995 3.836 1.00 0.00 C ATOM 1539 O GLU A 103 -5.017 15.805 3.899 1.00 0.00 O ATOM 1540 CB GLU A 103 -2.261 17.244 4.322 1.00 0.00 C ATOM 1541 CG GLU A 103 -1.233 18.314 4.647 1.00 0.00 C ATOM 1542 CD GLU A 103 -1.740 19.715 4.358 1.00 0.00 C ATOM 1543 OE1 GLU A 103 -2.360 19.914 3.293 1.00 0.00 O ATOM 1544 OE2 GLU A 103 -1.514 20.612 5.198 1.00 0.00 O ATOM 0 H GLU A 103 -3.299 16.304 6.413 1.00 0.00 H new ATOM 0 HA GLU A 103 -3.795 18.670 4.809 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -1.951 16.304 4.779 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -2.278 17.084 3.244 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -0.958 18.241 5.699 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -0.328 18.132 4.067 1.00 0.00 H new ATOM 1551 N LEU A 104 -5.225 17.834 2.947 1.00 0.00 N ATOM 1552 CA LEU A 104 -6.217 17.396 1.972 1.00 0.00 C ATOM 1553 C LEU A 104 -5.569 17.123 0.620 1.00 0.00 C ATOM 1554 O LEU A 104 -4.415 17.488 0.386 1.00 0.00 O ATOM 1555 CB LEU A 104 -7.313 18.453 1.822 1.00 0.00 C ATOM 1556 CG LEU A 104 -8.506 18.322 2.770 1.00 0.00 C ATOM 1557 CD1 LEU A 104 -9.565 19.364 2.441 1.00 0.00 C ATOM 1558 CD2 LEU A 104 -9.094 16.921 2.698 1.00 0.00 C ATOM 0 H LEU A 104 -4.978 18.821 2.882 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.661 16.469 2.334 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -6.865 19.436 1.968 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.683 18.421 0.797 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.157 18.496 3.788 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.407 19.256 3.125 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -9.138 20.362 2.545 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -9.910 19.222 1.417 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -9.942 16.847 3.379 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.427 16.718 1.680 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -8.335 16.193 2.983 1.00 0.00 H new ATOM 1570 N LEU A 105 -6.317 16.481 -0.271 1.00 0.00 N ATOM 1571 CA LEU A 105 -5.816 16.160 -1.603 1.00 0.00 C ATOM 1572 C LEU A 105 -6.236 17.224 -2.613 1.00 0.00 C ATOM 1573 O LEU A 105 -7.126 18.032 -2.346 1.00 0.00 O ATOM 1574 CB LEU A 105 -6.328 14.788 -2.046 1.00 0.00 C ATOM 1575 CG LEU A 105 -6.096 13.638 -1.067 1.00 0.00 C ATOM 1576 CD1 LEU A 105 -6.591 12.327 -1.657 1.00 0.00 C ATOM 1577 CD2 LEU A 105 -4.623 13.538 -0.700 1.00 0.00 C ATOM 0 H LEU A 105 -7.273 16.172 -0.095 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.727 16.137 -1.559 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.398 14.866 -2.237 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.853 14.534 -2.994 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.663 13.840 -0.158 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -6.417 11.519 -0.946 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -7.658 12.402 -1.867 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -6.053 12.118 -2.582 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.477 12.714 -0.002 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.035 13.360 -1.600 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.300 14.469 -0.234 1.00 0.00 H new ATOM 1589 N THR A 106 -5.592 17.216 -3.776 1.00 0.00 N ATOM 1590 CA THR A 106 -5.899 18.178 -4.826 1.00 0.00 C ATOM 1591 C THR A 106 -6.139 17.479 -6.160 1.00 0.00 C ATOM 1592 O THR A 106 -7.188 17.650 -6.780 1.00 0.00 O ATOM 1593 CB THR A 106 -4.765 19.206 -4.996 1.00 0.00 C ATOM 1594 OG1 THR A 106 -3.724 18.658 -5.812 1.00 0.00 O ATOM 1595 CG2 THR A 106 -4.195 19.611 -3.645 1.00 0.00 C ATOM 0 H THR A 106 -4.854 16.553 -4.014 1.00 0.00 H new ATOM 0 HA THR A 106 -6.808 18.697 -4.522 1.00 0.00 H new ATOM 0 HB THR A 106 -5.178 20.091 -5.480 1.00 0.00 H new ATOM 0 HG1 THR A 106 -3.008 19.319 -5.916 1.00 0.00 H new ATOM 0 HG21 THR A 106 -3.396 20.338 -3.790 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.983 20.055 -3.036 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.798 18.731 -3.139 1.00 0.00 H new ATOM 1603 N GLN A 107 -5.160 16.691 -6.593 1.00 0.00 N ATOM 1604 CA GLN A 107 -5.267 15.965 -7.854 1.00 0.00 C ATOM 1605 C GLN A 107 -4.441 14.683 -7.815 1.00 0.00 C ATOM 1606 O GLN A 107 -3.439 14.582 -7.107 1.00 0.00 O ATOM 1607 CB GLN A 107 -4.806 16.848 -9.015 1.00 0.00 C ATOM 1608 CG GLN A 107 -3.381 17.354 -8.865 1.00 0.00 C ATOM 1609 CD GLN A 107 -3.051 18.466 -9.843 1.00 0.00 C ATOM 1610 OE1 GLN A 107 -3.253 18.327 -11.050 1.00 0.00 O ATOM 1611 NE2 GLN A 107 -2.541 19.577 -9.325 1.00 0.00 N ATOM 0 H GLN A 107 -4.285 16.539 -6.091 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.313 15.697 -8.003 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -4.887 16.284 -9.944 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -5.479 17.701 -9.101 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -3.233 17.714 -7.847 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -2.688 16.526 -9.014 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -2.391 19.648 -8.319 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -2.300 20.359 -9.933 1.00 0.00 H new ATOM 1620 N PRO A 108 -4.870 13.679 -8.594 1.00 0.00 N ATOM 1621 CA PRO A 108 -4.185 12.385 -8.667 1.00 0.00 C ATOM 1622 C PRO A 108 -2.835 12.483 -9.369 1.00 0.00 C ATOM 1623 O PRO A 108 -2.679 13.234 -10.333 1.00 0.00 O ATOM 1624 CB PRO A 108 -5.149 11.518 -9.480 1.00 0.00 C ATOM 1625 CG PRO A 108 -5.928 12.487 -10.301 1.00 0.00 C ATOM 1626 CD PRO A 108 -6.057 13.729 -9.464 1.00 0.00 C ATOM 0 HA PRO A 108 -3.962 11.985 -7.678 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -4.610 10.809 -10.109 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -5.802 10.935 -8.830 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -5.418 12.701 -11.240 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -6.908 12.084 -10.555 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -6.067 14.629 -10.079 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -6.980 13.729 -8.885 1.00 0.00 H new ATOM 1634 N CYS A 109 -1.863 11.721 -8.881 1.00 0.00 N ATOM 1635 CA CYS A 109 -0.525 11.722 -9.462 1.00 0.00 C ATOM 1636 C CYS A 109 -0.482 10.875 -10.730 1.00 0.00 C ATOM 1637 O CYS A 109 -1.370 10.056 -10.971 1.00 0.00 O ATOM 1638 CB CYS A 109 0.494 11.199 -8.448 1.00 0.00 C ATOM 1639 SG CYS A 109 2.216 11.458 -8.933 1.00 0.00 S ATOM 0 H CYS A 109 -1.976 11.094 -8.084 1.00 0.00 H new ATOM 0 HA CYS A 109 -0.270 12.749 -9.725 1.00 0.00 H new ATOM 0 HB2 CYS A 109 0.320 11.687 -7.489 1.00 0.00 H new ATOM 0 HB3 CYS A 109 0.326 10.133 -8.297 1.00 0.00 H new ATOM 0 HG CYS A 109 3.002 10.985 -8.012 1.00 0.00 H new ATOM 1645 N ARG A 110 0.555 11.077 -11.535 1.00 0.00 N ATOM 1646 CA ARG A 110 0.713 10.333 -12.779 1.00 0.00 C ATOM 1647 C ARG A 110 1.983 9.489 -12.751 1.00 0.00 C ATOM 1648 O ARG A 110 3.041 9.957 -12.331 1.00 0.00 O ATOM 1649 CB ARG A 110 0.752 11.293 -13.970 1.00 0.00 C ATOM 1650 CG ARG A 110 -0.097 12.538 -13.777 1.00 0.00 C ATOM 1651 CD ARG A 110 -1.567 12.258 -14.049 1.00 0.00 C ATOM 1652 NE ARG A 110 -2.332 13.487 -14.242 1.00 0.00 N ATOM 1653 CZ ARG A 110 -3.519 13.528 -14.836 1.00 0.00 C ATOM 1654 NH1 ARG A 110 -4.075 12.414 -15.291 1.00 0.00 N ATOM 1655 NH2 ARG A 110 -4.154 14.685 -14.975 1.00 0.00 N ATOM 0 H ARG A 110 1.299 11.750 -11.348 1.00 0.00 H new ATOM 0 HA ARG A 110 -0.143 9.666 -12.885 1.00 0.00 H new ATOM 0 HB2 ARG A 110 1.784 11.592 -14.151 1.00 0.00 H new ATOM 0 HB3 ARG A 110 0.412 10.766 -14.862 1.00 0.00 H new ATOM 0 HG2 ARG A 110 0.022 12.906 -12.758 1.00 0.00 H new ATOM 0 HG3 ARG A 110 0.254 13.326 -14.444 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -1.658 11.631 -14.936 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -1.989 11.695 -13.216 1.00 0.00 H new ATOM 0 HE ARG A 110 -1.933 14.362 -13.902 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -3.591 11.522 -15.185 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -4.987 12.448 -15.747 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -3.730 15.544 -14.625 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -5.066 14.715 -15.432 1.00 0.00 H new ATOM 1669 N GLN A 111 1.870 8.243 -13.200 1.00 0.00 N ATOM 1670 CA GLN A 111 3.008 7.333 -13.224 1.00 0.00 C ATOM 1671 C GLN A 111 4.114 7.869 -14.129 1.00 0.00 C ATOM 1672 O GLN A 111 3.847 8.378 -15.217 1.00 0.00 O ATOM 1673 CB GLN A 111 2.572 5.947 -13.699 1.00 0.00 C ATOM 1674 CG GLN A 111 2.325 5.866 -15.197 1.00 0.00 C ATOM 1675 CD GLN A 111 1.412 4.717 -15.578 1.00 0.00 C ATOM 1676 OE1 GLN A 111 1.871 3.665 -16.022 1.00 0.00 O ATOM 1677 NE2 GLN A 111 0.110 4.914 -15.405 1.00 0.00 N ATOM 0 H GLN A 111 1.001 7.841 -13.552 1.00 0.00 H new ATOM 0 HA GLN A 111 3.399 7.254 -12.209 1.00 0.00 H new ATOM 0 HB2 GLN A 111 3.338 5.221 -13.426 1.00 0.00 H new ATOM 0 HB3 GLN A 111 1.661 5.662 -13.173 1.00 0.00 H new ATOM 0 HG2 GLN A 111 1.886 6.803 -15.540 1.00 0.00 H new ATOM 0 HG3 GLN A 111 3.279 5.753 -15.713 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -0.226 5.802 -15.034 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -0.553 4.177 -15.643 1.00 0.00 H new ATOM 1686 N LYS A 112 5.355 7.750 -13.672 1.00 0.00 N ATOM 1687 CA LYS A 112 6.503 8.221 -14.439 1.00 0.00 C ATOM 1688 C LYS A 112 6.299 7.970 -15.930 1.00 0.00 C ATOM 1689 O LYS A 112 6.434 6.842 -16.403 1.00 0.00 O ATOM 1690 CB LYS A 112 7.780 7.526 -13.964 1.00 0.00 C ATOM 1691 CG LYS A 112 8.135 7.827 -12.518 1.00 0.00 C ATOM 1692 CD LYS A 112 9.635 7.768 -12.287 1.00 0.00 C ATOM 1693 CE LYS A 112 10.289 9.122 -12.522 1.00 0.00 C ATOM 1694 NZ LYS A 112 11.757 8.998 -12.736 1.00 0.00 N ATOM 0 H LYS A 112 5.593 7.331 -12.773 1.00 0.00 H new ATOM 0 HA LYS A 112 6.601 9.295 -14.278 1.00 0.00 H new ATOM 0 HB2 LYS A 112 7.663 6.449 -14.084 1.00 0.00 H new ATOM 0 HB3 LYS A 112 8.609 7.830 -14.604 1.00 0.00 H new ATOM 0 HG2 LYS A 112 7.764 8.816 -12.250 1.00 0.00 H new ATOM 0 HG3 LYS A 112 7.637 7.111 -11.864 1.00 0.00 H new ATOM 0 HD2 LYS A 112 9.835 7.438 -11.267 1.00 0.00 H new ATOM 0 HD3 LYS A 112 10.078 7.028 -12.954 1.00 0.00 H new ATOM 0 HE2 LYS A 112 9.834 9.599 -13.390 1.00 0.00 H new ATOM 0 HE3 LYS A 112 10.100 9.770 -11.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 12.166 9.941 -12.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 12.195 8.566 -11.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 11.937 8.400 -13.568 1.00 0.00 H new ATOM 1708 N ASP A 113 5.975 9.029 -16.664 1.00 0.00 N ATOM 1709 CA ASP A 113 5.756 8.923 -18.102 1.00 0.00 C ATOM 1710 C ASP A 113 5.616 10.306 -18.733 1.00 0.00 C ATOM 1711 O ASP A 113 4.892 11.161 -18.223 1.00 0.00 O ATOM 1712 CB ASP A 113 4.506 8.090 -18.390 1.00 0.00 C ATOM 1713 CG ASP A 113 4.354 7.763 -19.862 1.00 0.00 C ATOM 1714 OD1 ASP A 113 5.388 7.633 -20.550 1.00 0.00 O ATOM 1715 OD2 ASP A 113 3.202 7.640 -20.327 1.00 0.00 O ATOM 0 H ASP A 113 5.858 9.970 -16.287 1.00 0.00 H new ATOM 0 HA ASP A 113 6.622 8.428 -18.541 1.00 0.00 H new ATOM 0 HB2 ASP A 113 4.551 7.163 -17.818 1.00 0.00 H new ATOM 0 HB3 ASP A 113 3.625 8.633 -18.049 1.00 0.00 H new ATOM 1720 N SER A 114 6.313 10.516 -19.844 1.00 0.00 N ATOM 1721 CA SER A 114 6.270 11.797 -20.543 1.00 0.00 C ATOM 1722 C SER A 114 5.278 11.750 -21.700 1.00 0.00 C ATOM 1723 O SER A 114 5.635 11.404 -22.826 1.00 0.00 O ATOM 1724 CB SER A 114 7.661 12.164 -21.062 1.00 0.00 C ATOM 1725 OG SER A 114 8.611 12.179 -20.010 1.00 0.00 O ATOM 0 H SER A 114 6.914 9.817 -20.280 1.00 0.00 H new ATOM 0 HA SER A 114 5.941 12.559 -19.837 1.00 0.00 H new ATOM 0 HB2 SER A 114 7.969 11.448 -21.824 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.628 13.143 -21.540 1.00 0.00 H new ATOM 0 HG SER A 114 9.492 12.415 -20.368 1.00 0.00 H new ATOM 1731 N GLY A 115 4.028 12.103 -21.416 1.00 0.00 N ATOM 1732 CA GLY A 115 3.003 12.095 -22.441 1.00 0.00 C ATOM 1733 C GLY A 115 3.120 13.275 -23.387 1.00 0.00 C ATOM 1734 O GLY A 115 3.325 14.415 -22.969 1.00 0.00 O ATOM 0 H GLY A 115 3.708 12.395 -20.493 1.00 0.00 H new ATOM 0 HA2 GLY A 115 3.070 11.168 -23.011 1.00 0.00 H new ATOM 0 HA3 GLY A 115 2.021 12.108 -21.969 1.00 0.00 H new ATOM 1738 N PRO A 116 2.988 13.005 -24.695 1.00 0.00 N ATOM 1739 CA PRO A 116 3.078 14.041 -25.728 1.00 0.00 C ATOM 1740 C PRO A 116 1.885 14.989 -25.704 1.00 0.00 C ATOM 1741 O PRO A 116 0.735 14.559 -25.791 1.00 0.00 O ATOM 1742 CB PRO A 116 3.097 13.239 -27.032 1.00 0.00 C ATOM 1743 CG PRO A 116 2.407 11.961 -26.701 1.00 0.00 C ATOM 1744 CD PRO A 116 2.742 11.670 -25.264 1.00 0.00 C ATOM 0 HA PRO A 116 3.951 14.679 -25.590 1.00 0.00 H new ATOM 0 HB2 PRO A 116 2.582 13.771 -27.832 1.00 0.00 H new ATOM 0 HB3 PRO A 116 4.117 13.061 -27.373 1.00 0.00 H new ATOM 0 HG2 PRO A 116 1.330 12.052 -26.840 1.00 0.00 H new ATOM 0 HG3 PRO A 116 2.746 11.155 -27.352 1.00 0.00 H new ATOM 0 HD2 PRO A 116 1.923 11.161 -24.756 1.00 0.00 H new ATOM 0 HD3 PRO A 116 3.619 11.028 -25.178 1.00 0.00 H new ATOM 1752 N SER A 117 2.167 16.283 -25.585 1.00 0.00 N ATOM 1753 CA SER A 117 1.115 17.294 -25.546 1.00 0.00 C ATOM 1754 C SER A 117 1.688 18.684 -25.806 1.00 0.00 C ATOM 1755 O SER A 117 2.888 18.911 -25.652 1.00 0.00 O ATOM 1756 CB SER A 117 0.405 17.267 -24.192 1.00 0.00 C ATOM 1757 OG SER A 117 1.324 17.446 -23.129 1.00 0.00 O ATOM 0 H SER A 117 3.114 16.656 -25.514 1.00 0.00 H new ATOM 0 HA SER A 117 0.394 17.065 -26.331 1.00 0.00 H new ATOM 0 HB2 SER A 117 -0.351 18.052 -24.159 1.00 0.00 H new ATOM 0 HB3 SER A 117 -0.116 16.317 -24.070 1.00 0.00 H new ATOM 0 HG SER A 117 0.844 17.426 -22.275 1.00 0.00 H new ATOM 1763 N SER A 118 0.821 19.611 -26.201 1.00 0.00 N ATOM 1764 CA SER A 118 1.239 20.977 -26.486 1.00 0.00 C ATOM 1765 C SER A 118 0.931 21.897 -25.308 1.00 0.00 C ATOM 1766 O SER A 118 -0.043 21.693 -24.585 1.00 0.00 O ATOM 1767 CB SER A 118 0.543 21.494 -27.747 1.00 0.00 C ATOM 1768 OG SER A 118 1.148 20.968 -28.915 1.00 0.00 O ATOM 0 H SER A 118 -0.176 19.440 -26.331 1.00 0.00 H new ATOM 0 HA SER A 118 2.317 20.974 -26.650 1.00 0.00 H new ATOM 0 HB2 SER A 118 -0.511 21.218 -27.724 1.00 0.00 H new ATOM 0 HB3 SER A 118 0.587 22.583 -27.770 1.00 0.00 H new ATOM 0 HG SER A 118 0.684 21.312 -29.707 1.00 0.00 H new ATOM 1774 N GLY A 119 1.771 22.911 -25.121 1.00 0.00 N ATOM 1775 CA GLY A 119 1.573 23.848 -24.030 1.00 0.00 C ATOM 1776 C GLY A 119 1.149 25.220 -24.514 1.00 0.00 C ATOM 1777 O GLY A 119 0.207 25.346 -25.296 1.00 0.00 O ATOM 0 H GLY A 119 2.585 23.100 -25.706 1.00 0.00 H new ATOM 0 HA2 GLY A 119 0.816 23.456 -23.351 1.00 0.00 H new ATOM 0 HA3 GLY A 119 2.497 23.937 -23.459 1.00 0.00 H new TER 1781 GLY A 119