USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 708 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 64 ASN : amide:sc= -2.11 K(o=-0.98,f=0.5) USER MOD Set 1.2: A 83 SER OG : rot 79:sc= 1.12 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 37:sc= 0.71 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 26:sc= 0.233 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -0.622 K(o=-0.62,f=-2.3!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -160:sc= -0.0213 (180deg=-0.247) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 123:sc= 1.08 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 180:sc=-0.00197 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -108:sc= 0.868 USER MOD Single : A 48 SER OG : rot 160:sc= 0 USER MOD Single : A 55 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 175:sc= 0.118 (180deg=0.0968) USER MOD Single : A 61 THR OG1 : rot -85:sc= 0.974 USER MOD Single : A 67 SER OG : rot 180:sc= 0.129 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl -135:sc= -1.13 (180deg=-2.46) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot -31:sc= 0.923 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -38:sc= 0.431 USER MOD Single : A 87 HIS : no HD1:sc= -9.3! C(o=-9.3!,f=-8.3!) USER MOD Single : A 88 MET CE :methyl -117:sc= -3.39! (180deg=-6.98!) USER MOD Single : A 89 MET CE :methyl -157:sc= -4.02! (180deg=-4.99!) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 43:sc= 0.0213 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.007 -7.573 -14.321 1.00 0.00 N ATOM 2 CA GLY A 1 -27.332 -7.124 -15.527 1.00 0.00 C ATOM 3 C GLY A 1 -25.849 -6.859 -15.258 1.00 0.00 C ATOM 4 O GLY A 1 -24.990 -7.625 -15.692 1.00 0.00 O ATOM 0 H1 GLY A 1 -29.011 -7.746 -14.529 1.00 0.00 H new ATOM 0 H2 GLY A 1 -27.567 -8.453 -13.984 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.927 -6.842 -13.586 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.435 -7.878 -16.308 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.806 -6.215 -15.897 1.00 0.00 H new ATOM 8 N SER A 2 -25.594 -5.773 -14.544 1.00 0.00 N ATOM 9 CA SER A 2 -24.230 -5.398 -14.212 1.00 0.00 C ATOM 10 C SER A 2 -23.896 -5.847 -12.788 1.00 0.00 C ATOM 11 O SER A 2 -24.140 -5.117 -11.829 1.00 0.00 O ATOM 12 CB SER A 2 -24.024 -3.888 -14.355 1.00 0.00 C ATOM 13 OG SER A 2 -23.126 -3.570 -15.414 1.00 0.00 O ATOM 0 H SER A 2 -26.309 -5.140 -14.186 1.00 0.00 H new ATOM 0 HA SER A 2 -23.558 -5.897 -14.910 1.00 0.00 H new ATOM 0 HB2 SER A 2 -24.985 -3.407 -14.538 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.638 -3.484 -13.419 1.00 0.00 H new ATOM 0 HG SER A 2 -23.022 -2.597 -15.474 1.00 0.00 H new ATOM 19 N SER A 3 -23.341 -7.047 -12.696 1.00 0.00 N ATOM 20 CA SER A 3 -22.970 -7.602 -11.405 1.00 0.00 C ATOM 21 C SER A 3 -21.981 -8.753 -11.596 1.00 0.00 C ATOM 22 O SER A 3 -22.080 -9.509 -12.561 1.00 0.00 O ATOM 23 CB SER A 3 -24.203 -8.083 -10.638 1.00 0.00 C ATOM 24 OG SER A 3 -24.779 -7.046 -9.849 1.00 0.00 O ATOM 0 H SER A 3 -23.139 -7.650 -13.494 1.00 0.00 H new ATOM 0 HA SER A 3 -22.494 -6.816 -10.818 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.945 -8.457 -11.343 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.926 -8.918 -9.994 1.00 0.00 H new ATOM 0 HG SER A 3 -24.709 -6.194 -10.328 1.00 0.00 H new ATOM 30 N GLY A 4 -21.048 -8.851 -10.659 1.00 0.00 N ATOM 31 CA GLY A 4 -20.042 -9.898 -10.712 1.00 0.00 C ATOM 32 C GLY A 4 -19.003 -9.716 -9.604 1.00 0.00 C ATOM 33 O GLY A 4 -18.880 -8.632 -9.035 1.00 0.00 O ATOM 0 H GLY A 4 -20.968 -8.223 -9.860 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.520 -10.872 -10.611 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.549 -9.885 -11.684 1.00 0.00 H new ATOM 37 N SER A 5 -18.281 -10.793 -9.330 1.00 0.00 N ATOM 38 CA SER A 5 -17.257 -10.765 -8.300 1.00 0.00 C ATOM 39 C SER A 5 -15.890 -11.079 -8.913 1.00 0.00 C ATOM 40 O SER A 5 -15.750 -12.039 -9.669 1.00 0.00 O ATOM 41 CB SER A 5 -17.576 -11.757 -7.180 1.00 0.00 C ATOM 42 OG SER A 5 -16.966 -11.384 -5.947 1.00 0.00 O ATOM 0 H SER A 5 -18.385 -11.690 -9.804 1.00 0.00 H new ATOM 0 HA SER A 5 -17.234 -9.765 -7.868 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.656 -11.818 -7.046 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.234 -12.751 -7.468 1.00 0.00 H new ATOM 0 HG SER A 5 -17.195 -12.041 -5.257 1.00 0.00 H new ATOM 48 N SER A 6 -14.917 -10.250 -8.564 1.00 0.00 N ATOM 49 CA SER A 6 -13.566 -10.427 -9.070 1.00 0.00 C ATOM 50 C SER A 6 -12.772 -11.339 -8.133 1.00 0.00 C ATOM 51 O SER A 6 -12.676 -11.074 -6.936 1.00 0.00 O ATOM 52 CB SER A 6 -12.857 -9.081 -9.228 1.00 0.00 C ATOM 53 OG SER A 6 -12.716 -8.402 -7.983 1.00 0.00 O ATOM 0 H SER A 6 -15.037 -9.454 -7.937 1.00 0.00 H new ATOM 0 HA SER A 6 -13.627 -10.892 -10.054 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.872 -9.239 -9.668 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.419 -8.455 -9.921 1.00 0.00 H new ATOM 0 HG SER A 6 -12.709 -9.056 -7.253 1.00 0.00 H new ATOM 59 N GLY A 7 -12.222 -12.396 -8.714 1.00 0.00 N ATOM 60 CA GLY A 7 -11.438 -13.349 -7.946 1.00 0.00 C ATOM 61 C GLY A 7 -9.998 -13.414 -8.458 1.00 0.00 C ATOM 62 O GLY A 7 -9.464 -12.420 -8.946 1.00 0.00 O ATOM 0 H GLY A 7 -12.304 -12.613 -9.707 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.441 -13.064 -6.894 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.895 -14.336 -8.010 1.00 0.00 H new ATOM 66 N SER A 8 -9.411 -14.595 -8.330 1.00 0.00 N ATOM 67 CA SER A 8 -8.044 -14.803 -8.774 1.00 0.00 C ATOM 68 C SER A 8 -7.875 -14.293 -10.207 1.00 0.00 C ATOM 69 O SER A 8 -8.854 -13.939 -10.863 1.00 0.00 O ATOM 70 CB SER A 8 -7.655 -16.280 -8.688 1.00 0.00 C ATOM 71 OG SER A 8 -7.130 -16.621 -7.408 1.00 0.00 O ATOM 0 H SER A 8 -9.858 -15.418 -7.925 1.00 0.00 H new ATOM 0 HA SER A 8 -7.382 -14.242 -8.115 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.528 -16.898 -8.898 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.914 -16.505 -9.455 1.00 0.00 H new ATOM 0 HG SER A 8 -6.895 -17.572 -7.394 1.00 0.00 H new ATOM 77 N ASP A 9 -6.627 -14.271 -10.650 1.00 0.00 N ATOM 78 CA ASP A 9 -6.318 -13.810 -11.993 1.00 0.00 C ATOM 79 C ASP A 9 -6.577 -12.304 -12.083 1.00 0.00 C ATOM 80 O ASP A 9 -7.286 -11.742 -11.249 1.00 0.00 O ATOM 81 CB ASP A 9 -7.202 -14.504 -13.031 1.00 0.00 C ATOM 82 CG ASP A 9 -6.718 -14.382 -14.478 1.00 0.00 C ATOM 83 OD1 ASP A 9 -5.797 -15.148 -14.835 1.00 0.00 O ATOM 84 OD2 ASP A 9 -7.281 -13.525 -15.193 1.00 0.00 O ATOM 0 H ASP A 9 -5.818 -14.565 -10.103 1.00 0.00 H new ATOM 0 HA ASP A 9 -5.273 -14.042 -12.197 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.274 -15.561 -12.776 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -8.208 -14.090 -12.964 1.00 0.00 H new ATOM 89 N ILE A 10 -5.989 -11.695 -13.102 1.00 0.00 N ATOM 90 CA ILE A 10 -6.148 -10.266 -13.312 1.00 0.00 C ATOM 91 C ILE A 10 -5.556 -9.511 -12.120 1.00 0.00 C ATOM 92 O ILE A 10 -5.308 -10.100 -11.069 1.00 0.00 O ATOM 93 CB ILE A 10 -7.613 -9.924 -13.589 1.00 0.00 C ATOM 94 CG1 ILE A 10 -7.997 -10.283 -15.026 1.00 0.00 C ATOM 95 CG2 ILE A 10 -7.905 -8.457 -13.267 1.00 0.00 C ATOM 96 CD1 ILE A 10 -9.040 -9.306 -15.575 1.00 0.00 C ATOM 0 H ILE A 10 -5.402 -12.165 -13.791 1.00 0.00 H new ATOM 0 HA ILE A 10 -5.598 -9.948 -14.198 1.00 0.00 H new ATOM 0 HB ILE A 10 -8.235 -10.528 -12.928 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -7.109 -10.266 -15.658 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -8.392 -11.298 -15.058 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -8.953 -8.241 -13.473 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.695 -8.267 -12.214 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -7.275 -7.817 -13.884 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -9.296 -9.583 -16.598 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -9.935 -9.343 -14.954 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -8.633 -8.295 -15.564 1.00 0.00 H new ATOM 108 N ILE A 11 -5.346 -8.219 -12.324 1.00 0.00 N ATOM 109 CA ILE A 11 -4.787 -7.377 -11.279 1.00 0.00 C ATOM 110 C ILE A 11 -5.864 -7.090 -10.231 1.00 0.00 C ATOM 111 O ILE A 11 -7.027 -6.878 -10.573 1.00 0.00 O ATOM 112 CB ILE A 11 -4.164 -6.117 -11.882 1.00 0.00 C ATOM 113 CG1 ILE A 11 -2.758 -6.402 -12.416 1.00 0.00 C ATOM 114 CG2 ILE A 11 -4.172 -4.965 -10.875 1.00 0.00 C ATOM 115 CD1 ILE A 11 -1.740 -6.457 -11.276 1.00 0.00 C ATOM 0 H ILE A 11 -5.553 -7.734 -13.197 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.974 -7.893 -10.768 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.774 -5.807 -12.730 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.755 -7.348 -12.957 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.471 -5.628 -13.127 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.723 -4.082 -11.329 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.199 -4.742 -10.585 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.599 -5.249 -9.992 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.749 -6.661 -11.682 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.728 -5.501 -10.753 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.016 -7.249 -10.579 1.00 0.00 H new ATOM 127 N HIS A 12 -5.440 -7.091 -8.976 1.00 0.00 N ATOM 128 CA HIS A 12 -6.353 -6.833 -7.876 1.00 0.00 C ATOM 129 C HIS A 12 -6.185 -5.390 -7.397 1.00 0.00 C ATOM 130 O HIS A 12 -5.147 -4.772 -7.629 1.00 0.00 O ATOM 131 CB HIS A 12 -6.158 -7.857 -6.756 1.00 0.00 C ATOM 132 CG HIS A 12 -6.740 -9.217 -7.058 1.00 0.00 C ATOM 133 ND1 HIS A 12 -7.428 -9.964 -6.118 1.00 0.00 N ATOM 134 CD2 HIS A 12 -6.732 -9.955 -8.205 1.00 0.00 C ATOM 135 CE1 HIS A 12 -7.810 -11.099 -6.683 1.00 0.00 C ATOM 136 NE2 HIS A 12 -7.377 -11.092 -7.977 1.00 0.00 N ATOM 0 H HIS A 12 -4.475 -7.267 -8.696 1.00 0.00 H new ATOM 0 HA HIS A 12 -7.382 -6.948 -8.218 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -5.092 -7.965 -6.559 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -6.614 -7.473 -5.843 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -6.278 -9.663 -9.140 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -8.366 -11.891 -6.204 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -7.525 -11.838 -8.657 1.00 0.00 H new ATOM 144 N SER A 13 -7.222 -4.894 -6.738 1.00 0.00 N ATOM 145 CA SER A 13 -7.201 -3.535 -6.224 1.00 0.00 C ATOM 146 C SER A 13 -7.256 -3.553 -4.695 1.00 0.00 C ATOM 147 O SER A 13 -8.008 -4.328 -4.106 1.00 0.00 O ATOM 148 CB SER A 13 -8.364 -2.716 -6.787 1.00 0.00 C ATOM 149 OG SER A 13 -9.544 -3.501 -6.943 1.00 0.00 O ATOM 0 H SER A 13 -8.082 -5.409 -6.548 1.00 0.00 H new ATOM 0 HA SER A 13 -6.271 -3.063 -6.542 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.572 -1.877 -6.123 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.078 -2.296 -7.751 1.00 0.00 H new ATOM 0 HG SER A 13 -10.264 -2.942 -7.303 1.00 0.00 H new ATOM 155 N VAL A 14 -6.449 -2.690 -4.095 1.00 0.00 N ATOM 156 CA VAL A 14 -6.396 -2.597 -2.646 1.00 0.00 C ATOM 157 C VAL A 14 -6.139 -1.144 -2.242 1.00 0.00 C ATOM 158 O VAL A 14 -5.465 -0.407 -2.959 1.00 0.00 O ATOM 159 CB VAL A 14 -5.347 -3.566 -2.098 1.00 0.00 C ATOM 160 CG1 VAL A 14 -4.015 -3.404 -2.832 1.00 0.00 C ATOM 161 CG2 VAL A 14 -5.167 -3.382 -0.589 1.00 0.00 C ATOM 0 H VAL A 14 -5.826 -2.049 -4.586 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.350 -2.891 -2.208 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.704 -4.581 -2.272 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.287 -4.104 -2.423 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.157 -3.607 -3.893 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.650 -2.385 -2.703 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.416 -4.083 -0.224 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.842 -2.362 -0.383 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.114 -3.570 -0.084 1.00 0.00 H new ATOM 171 N ARG A 15 -6.689 -0.776 -1.094 1.00 0.00 N ATOM 172 CA ARG A 15 -6.527 0.575 -0.586 1.00 0.00 C ATOM 173 C ARG A 15 -6.030 0.542 0.861 1.00 0.00 C ATOM 174 O ARG A 15 -6.762 0.139 1.764 1.00 0.00 O ATOM 175 CB ARG A 15 -7.845 1.348 -0.647 1.00 0.00 C ATOM 176 CG ARG A 15 -8.093 1.901 -2.052 1.00 0.00 C ATOM 177 CD ARG A 15 -8.929 3.181 -1.999 1.00 0.00 C ATOM 178 NE ARG A 15 -10.296 2.913 -2.498 1.00 0.00 N ATOM 179 CZ ARG A 15 -11.279 3.824 -2.522 1.00 0.00 C ATOM 180 NH1 ARG A 15 -11.052 5.067 -2.075 1.00 0.00 N ATOM 181 NH2 ARG A 15 -12.489 3.492 -2.993 1.00 0.00 N ATOM 0 H ARG A 15 -7.247 -1.390 -0.501 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.793 1.080 -1.215 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -8.668 0.694 -0.360 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -7.824 2.167 0.071 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -7.140 2.105 -2.540 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.606 1.152 -2.656 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -8.973 3.554 -0.976 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -8.459 3.958 -2.602 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.503 1.977 -2.845 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -10.131 5.320 -1.717 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -11.800 5.760 -2.093 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -12.662 2.546 -3.333 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -13.237 4.185 -3.011 1.00 0.00 H new ATOM 195 N VAL A 16 -4.788 0.971 1.036 1.00 0.00 N ATOM 196 CA VAL A 16 -4.185 0.995 2.358 1.00 0.00 C ATOM 197 C VAL A 16 -4.190 2.430 2.890 1.00 0.00 C ATOM 198 O VAL A 16 -3.914 3.372 2.148 1.00 0.00 O ATOM 199 CB VAL A 16 -2.783 0.383 2.305 1.00 0.00 C ATOM 200 CG1 VAL A 16 -2.038 0.603 3.623 1.00 0.00 C ATOM 201 CG2 VAL A 16 -2.848 -1.105 1.954 1.00 0.00 C ATOM 0 H VAL A 16 -4.184 1.304 0.285 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.765 0.388 3.053 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.226 0.890 1.517 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.045 0.158 3.558 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.945 1.672 3.814 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.592 0.135 4.437 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.839 -1.516 1.923 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.431 -1.632 2.709 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.320 -1.229 0.980 1.00 0.00 H new ATOM 211 N GLU A 17 -4.508 2.551 4.171 1.00 0.00 N ATOM 212 CA GLU A 17 -4.553 3.854 4.810 1.00 0.00 C ATOM 213 C GLU A 17 -3.231 4.141 5.526 1.00 0.00 C ATOM 214 O GLU A 17 -2.427 3.234 5.737 1.00 0.00 O ATOM 215 CB GLU A 17 -5.733 3.949 5.779 1.00 0.00 C ATOM 216 CG GLU A 17 -6.978 4.492 5.075 1.00 0.00 C ATOM 217 CD GLU A 17 -8.123 4.699 6.069 1.00 0.00 C ATOM 218 OE1 GLU A 17 -7.881 5.399 7.076 1.00 0.00 O ATOM 219 OE2 GLU A 17 -9.215 4.153 5.799 1.00 0.00 O ATOM 0 H GLU A 17 -4.737 1.768 4.783 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.697 4.610 4.038 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.947 2.965 6.195 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.471 4.598 6.614 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.741 5.437 4.586 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.290 3.799 4.294 1.00 0.00 H new ATOM 226 N LYS A 18 -3.048 5.404 5.880 1.00 0.00 N ATOM 227 CA LYS A 18 -1.838 5.821 6.568 1.00 0.00 C ATOM 228 C LYS A 18 -1.964 5.491 8.057 1.00 0.00 C ATOM 229 O LYS A 18 -2.927 5.895 8.707 1.00 0.00 O ATOM 230 CB LYS A 18 -1.543 7.296 6.288 1.00 0.00 C ATOM 231 CG LYS A 18 -2.618 8.196 6.901 1.00 0.00 C ATOM 232 CD LYS A 18 -2.298 9.673 6.662 1.00 0.00 C ATOM 233 CE LYS A 18 -1.328 10.202 7.721 1.00 0.00 C ATOM 234 NZ LYS A 18 -2.011 10.343 9.026 1.00 0.00 N ATOM 0 H LYS A 18 -3.718 6.153 5.703 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.976 5.271 6.190 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.567 7.559 6.696 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.494 7.463 5.212 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.589 7.956 6.468 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.691 8.005 7.972 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.863 9.799 5.670 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.219 10.256 6.683 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.481 9.523 7.819 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.928 11.166 7.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.474 10.998 9.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.970 10.717 8.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.069 9.414 9.489 1.00 0.00 H new ATOM 248 N SER A 19 -0.976 4.760 8.553 1.00 0.00 N ATOM 249 CA SER A 19 -0.964 4.372 9.953 1.00 0.00 C ATOM 250 C SER A 19 -0.564 5.564 10.824 1.00 0.00 C ATOM 251 O SER A 19 -0.009 6.543 10.326 1.00 0.00 O ATOM 252 CB SER A 19 -0.012 3.198 10.191 1.00 0.00 C ATOM 253 OG SER A 19 -0.707 2.017 10.581 1.00 0.00 O ATOM 0 H SER A 19 -0.179 4.427 8.011 1.00 0.00 H new ATOM 0 HA SER A 19 -1.969 4.052 10.227 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.555 3.001 9.281 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.708 3.466 10.964 1.00 0.00 H new ATOM 0 HG SER A 19 -0.064 1.291 10.722 1.00 0.00 H new ATOM 259 N PRO A 20 -0.868 5.440 12.144 1.00 0.00 N ATOM 260 CA PRO A 20 -0.546 6.496 13.089 1.00 0.00 C ATOM 261 C PRO A 20 0.952 6.515 13.400 1.00 0.00 C ATOM 262 O PRO A 20 1.379 6.024 14.444 1.00 0.00 O ATOM 263 CB PRO A 20 -1.403 6.206 14.310 1.00 0.00 C ATOM 264 CG PRO A 20 -1.822 4.750 14.189 1.00 0.00 C ATOM 265 CD PRO A 20 -1.524 4.296 12.769 1.00 0.00 C ATOM 0 HA PRO A 20 -0.759 7.491 12.697 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -0.843 6.376 15.230 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -2.273 6.862 14.341 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.280 4.136 14.908 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -2.883 4.638 14.411 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -0.879 3.417 12.761 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -2.438 4.026 12.240 1.00 0.00 H new ATOM 273 N ALA A 21 1.709 7.086 12.475 1.00 0.00 N ATOM 274 CA ALA A 21 3.150 7.176 12.638 1.00 0.00 C ATOM 275 C ALA A 21 3.715 5.782 12.922 1.00 0.00 C ATOM 276 O ALA A 21 4.218 5.523 14.014 1.00 0.00 O ATOM 277 CB ALA A 21 3.478 8.175 13.749 1.00 0.00 C ATOM 0 H ALA A 21 1.352 7.491 11.610 1.00 0.00 H new ATOM 0 HA ALA A 21 3.617 7.541 11.723 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.559 8.242 13.871 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.081 9.155 13.486 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.028 7.841 14.684 1.00 0.00 H new ATOM 283 N GLY A 22 3.611 4.921 11.920 1.00 0.00 N ATOM 284 CA GLY A 22 4.105 3.561 12.049 1.00 0.00 C ATOM 285 C GLY A 22 4.212 2.885 10.681 1.00 0.00 C ATOM 286 O GLY A 22 3.520 1.903 10.413 1.00 0.00 O ATOM 0 H GLY A 22 3.192 5.139 11.016 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.082 3.569 12.532 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.437 2.987 12.691 1.00 0.00 H new ATOM 290 N ARG A 23 5.084 3.437 9.850 1.00 0.00 N ATOM 291 CA ARG A 23 5.291 2.899 8.516 1.00 0.00 C ATOM 292 C ARG A 23 3.968 2.391 7.938 1.00 0.00 C ATOM 293 O ARG A 23 2.898 2.868 8.313 1.00 0.00 O ATOM 294 CB ARG A 23 6.305 1.754 8.534 1.00 0.00 C ATOM 295 CG ARG A 23 5.714 0.509 9.198 1.00 0.00 C ATOM 296 CD ARG A 23 6.138 0.415 10.665 1.00 0.00 C ATOM 297 NE ARG A 23 5.320 -0.600 11.365 1.00 0.00 N ATOM 298 CZ ARG A 23 5.651 -1.152 12.540 1.00 0.00 C ATOM 299 NH1 ARG A 23 6.786 -0.789 13.155 1.00 0.00 N ATOM 300 NH2 ARG A 23 4.848 -2.066 13.102 1.00 0.00 N ATOM 0 H ARG A 23 5.655 4.251 10.075 1.00 0.00 H new ATOM 0 HA ARG A 23 5.680 3.703 7.891 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.609 1.517 7.515 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.201 2.066 9.070 1.00 0.00 H new ATOM 0 HG2 ARG A 23 4.626 0.539 9.132 1.00 0.00 H new ATOM 0 HG3 ARG A 23 6.042 -0.383 8.663 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.194 0.151 10.731 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.021 1.385 11.149 1.00 0.00 H new ATOM 0 HE ARG A 23 4.449 -0.898 10.925 1.00 0.00 H new ATOM 0 HH11 ARG A 23 7.397 -0.093 12.728 1.00 0.00 H new ATOM 0 HH12 ARG A 23 7.038 -1.209 14.050 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.984 -2.342 12.635 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.101 -2.486 13.997 1.00 0.00 H new ATOM 314 N LEU A 24 4.085 1.429 7.034 1.00 0.00 N ATOM 315 CA LEU A 24 2.912 0.851 6.401 1.00 0.00 C ATOM 316 C LEU A 24 2.341 -0.247 7.300 1.00 0.00 C ATOM 317 O LEU A 24 3.025 -0.737 8.198 1.00 0.00 O ATOM 318 CB LEU A 24 3.247 0.374 4.986 1.00 0.00 C ATOM 319 CG LEU A 24 4.440 1.057 4.313 1.00 0.00 C ATOM 320 CD1 LEU A 24 4.515 0.693 2.829 1.00 0.00 C ATOM 321 CD2 LEU A 24 4.400 2.571 4.531 1.00 0.00 C ATOM 0 H LEU A 24 4.974 1.036 6.725 1.00 0.00 H new ATOM 0 HA LEU A 24 2.133 1.604 6.283 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.440 -0.698 5.021 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.368 0.519 4.357 1.00 0.00 H new ATOM 0 HG LEU A 24 5.353 0.689 4.781 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.371 1.192 2.375 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.626 -0.386 2.724 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.601 1.014 2.329 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.259 3.032 4.043 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.481 2.976 4.107 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.432 2.786 5.599 1.00 0.00 H new ATOM 333 N GLY A 25 1.094 -0.602 7.028 1.00 0.00 N ATOM 334 CA GLY A 25 0.423 -1.633 7.802 1.00 0.00 C ATOM 335 C GLY A 25 0.884 -3.027 7.373 1.00 0.00 C ATOM 336 O GLY A 25 0.378 -4.032 7.870 1.00 0.00 O ATOM 0 H GLY A 25 0.530 -0.194 6.282 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.629 -1.488 8.863 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.656 -1.547 7.672 1.00 0.00 H new ATOM 340 N PHE A 26 1.838 -3.043 6.454 1.00 0.00 N ATOM 341 CA PHE A 26 2.373 -4.298 5.952 1.00 0.00 C ATOM 342 C PHE A 26 3.898 -4.240 5.844 1.00 0.00 C ATOM 343 O PHE A 26 4.511 -3.233 6.196 1.00 0.00 O ATOM 344 CB PHE A 26 1.782 -4.509 4.556 1.00 0.00 C ATOM 345 CG PHE A 26 1.967 -3.317 3.616 1.00 0.00 C ATOM 346 CD1 PHE A 26 1.293 -2.158 3.846 1.00 0.00 C ATOM 347 CD2 PHE A 26 2.805 -3.415 2.549 1.00 0.00 C ATOM 348 CE1 PHE A 26 1.464 -1.051 2.973 1.00 0.00 C ATOM 349 CE2 PHE A 26 2.976 -2.309 1.676 1.00 0.00 C ATOM 350 CZ PHE A 26 2.302 -1.150 1.906 1.00 0.00 C ATOM 0 H PHE A 26 2.255 -2.207 6.044 1.00 0.00 H new ATOM 0 HA PHE A 26 2.115 -5.111 6.631 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.243 -5.388 4.106 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.717 -4.721 4.652 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.627 -2.080 4.693 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.341 -4.335 2.366 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.929 -0.131 3.156 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.641 -2.388 0.829 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.432 -0.309 1.242 1.00 0.00 H new ATOM 360 N SER A 27 4.467 -5.333 5.356 1.00 0.00 N ATOM 361 CA SER A 27 5.908 -5.419 5.198 1.00 0.00 C ATOM 362 C SER A 27 6.251 -5.928 3.796 1.00 0.00 C ATOM 363 O SER A 27 5.729 -6.952 3.359 1.00 0.00 O ATOM 364 CB SER A 27 6.525 -6.332 6.259 1.00 0.00 C ATOM 365 OG SER A 27 7.820 -5.889 6.657 1.00 0.00 O ATOM 0 H SER A 27 3.955 -6.166 5.065 1.00 0.00 H new ATOM 0 HA SER A 27 6.326 -4.421 5.328 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.871 -6.369 7.130 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.593 -7.347 5.868 1.00 0.00 H new ATOM 0 HG SER A 27 8.179 -6.497 7.336 1.00 0.00 H new ATOM 371 N VAL A 28 7.127 -5.189 3.131 1.00 0.00 N ATOM 372 CA VAL A 28 7.546 -5.553 1.788 1.00 0.00 C ATOM 373 C VAL A 28 9.023 -5.954 1.810 1.00 0.00 C ATOM 374 O VAL A 28 9.801 -5.428 2.605 1.00 0.00 O ATOM 375 CB VAL A 28 7.253 -4.405 0.820 1.00 0.00 C ATOM 376 CG1 VAL A 28 5.745 -4.194 0.661 1.00 0.00 C ATOM 377 CG2 VAL A 28 7.943 -3.117 1.272 1.00 0.00 C ATOM 0 H VAL A 28 7.558 -4.340 3.497 1.00 0.00 H new ATOM 0 HA VAL A 28 6.981 -6.414 1.432 1.00 0.00 H new ATOM 0 HB VAL A 28 7.658 -4.677 -0.155 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.564 -3.372 -0.032 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.289 -5.104 0.272 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.307 -3.955 1.630 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.718 -2.317 0.567 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.582 -2.839 2.262 1.00 0.00 H new ATOM 0 HG23 VAL A 28 9.021 -3.276 1.310 1.00 0.00 H new ATOM 387 N ARG A 29 9.364 -6.881 0.928 1.00 0.00 N ATOM 388 CA ARG A 29 10.733 -7.359 0.836 1.00 0.00 C ATOM 389 C ARG A 29 11.286 -7.117 -0.570 1.00 0.00 C ATOM 390 O ARG A 29 10.561 -6.670 -1.458 1.00 0.00 O ATOM 391 CB ARG A 29 10.819 -8.851 1.160 1.00 0.00 C ATOM 392 CG ARG A 29 10.264 -9.695 0.011 1.00 0.00 C ATOM 393 CD ARG A 29 10.305 -11.185 0.356 1.00 0.00 C ATOM 394 NE ARG A 29 9.713 -11.976 -0.746 1.00 0.00 N ATOM 395 CZ ARG A 29 9.558 -13.307 -0.717 1.00 0.00 C ATOM 396 NH1 ARG A 29 9.952 -14.004 0.358 1.00 0.00 N ATOM 397 NH2 ARG A 29 9.011 -13.941 -1.763 1.00 0.00 N ATOM 0 H ARG A 29 8.716 -7.314 0.270 1.00 0.00 H new ATOM 0 HA ARG A 29 11.326 -6.806 1.564 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.856 -9.126 1.350 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.261 -9.061 2.073 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.238 -9.396 -0.202 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.844 -9.511 -0.893 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.335 -11.499 0.528 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.758 -11.368 1.281 1.00 0.00 H new ATOM 0 HE ARG A 29 9.404 -11.477 -1.580 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.370 -13.521 1.154 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.834 -15.017 0.380 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.712 -13.411 -2.582 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.893 -14.954 -1.741 1.00 0.00 H new ATOM 411 N GLY A 30 12.565 -7.424 -0.729 1.00 0.00 N ATOM 412 CA GLY A 30 13.224 -7.245 -2.012 1.00 0.00 C ATOM 413 C GLY A 30 12.944 -5.854 -2.584 1.00 0.00 C ATOM 414 O GLY A 30 13.381 -4.850 -2.024 1.00 0.00 O ATOM 0 H GLY A 30 13.163 -7.796 0.009 1.00 0.00 H new ATOM 0 HA2 GLY A 30 14.299 -7.384 -1.895 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.878 -8.006 -2.712 1.00 0.00 H new ATOM 418 N GLY A 31 12.217 -5.839 -3.691 1.00 0.00 N ATOM 419 CA GLY A 31 11.873 -4.587 -4.344 1.00 0.00 C ATOM 420 C GLY A 31 12.967 -4.163 -5.327 1.00 0.00 C ATOM 421 O GLY A 31 14.056 -3.766 -4.915 1.00 0.00 O ATOM 0 H GLY A 31 11.856 -6.674 -4.153 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.926 -4.697 -4.873 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.731 -3.809 -3.594 1.00 0.00 H new ATOM 425 N SER A 32 12.639 -4.263 -6.606 1.00 0.00 N ATOM 426 CA SER A 32 13.580 -3.895 -7.651 1.00 0.00 C ATOM 427 C SER A 32 14.855 -4.732 -7.525 1.00 0.00 C ATOM 428 O SER A 32 15.600 -4.593 -6.556 1.00 0.00 O ATOM 429 CB SER A 32 13.916 -2.404 -7.589 1.00 0.00 C ATOM 430 OG SER A 32 13.655 -1.746 -8.826 1.00 0.00 O ATOM 0 H SER A 32 11.735 -4.594 -6.943 1.00 0.00 H new ATOM 0 HA SER A 32 13.115 -4.095 -8.616 1.00 0.00 H new ATOM 0 HB2 SER A 32 13.332 -1.933 -6.798 1.00 0.00 H new ATOM 0 HB3 SER A 32 14.967 -2.280 -7.327 1.00 0.00 H new ATOM 0 HG SER A 32 13.031 -1.005 -8.677 1.00 0.00 H new ATOM 436 N GLU A 33 15.066 -5.582 -8.519 1.00 0.00 N ATOM 437 CA GLU A 33 16.238 -6.441 -8.532 1.00 0.00 C ATOM 438 C GLU A 33 16.583 -6.847 -9.966 1.00 0.00 C ATOM 439 O GLU A 33 17.739 -6.767 -10.377 1.00 0.00 O ATOM 440 CB GLU A 33 16.025 -7.673 -7.650 1.00 0.00 C ATOM 441 CG GLU A 33 16.685 -7.488 -6.282 1.00 0.00 C ATOM 442 CD GLU A 33 17.836 -8.478 -6.091 1.00 0.00 C ATOM 443 OE1 GLU A 33 17.565 -9.693 -6.203 1.00 0.00 O ATOM 444 OE2 GLU A 33 18.962 -7.997 -5.836 1.00 0.00 O ATOM 0 H GLU A 33 14.446 -5.694 -9.321 1.00 0.00 H new ATOM 0 HA GLU A 33 17.078 -5.882 -8.121 1.00 0.00 H new ATOM 0 HB2 GLU A 33 14.958 -7.853 -7.522 1.00 0.00 H new ATOM 0 HB3 GLU A 33 16.439 -8.553 -8.142 1.00 0.00 H new ATOM 0 HG2 GLU A 33 17.058 -6.468 -6.189 1.00 0.00 H new ATOM 0 HG3 GLU A 33 15.944 -7.629 -5.495 1.00 0.00 H new ATOM 451 N HIS A 34 15.558 -7.275 -10.689 1.00 0.00 N ATOM 452 CA HIS A 34 15.737 -7.694 -12.068 1.00 0.00 C ATOM 453 C HIS A 34 14.398 -7.623 -12.805 1.00 0.00 C ATOM 454 O HIS A 34 13.859 -8.647 -13.220 1.00 0.00 O ATOM 455 CB HIS A 34 16.378 -9.082 -12.136 1.00 0.00 C ATOM 456 CG HIS A 34 17.630 -9.140 -12.978 1.00 0.00 C ATOM 457 ND1 HIS A 34 17.606 -9.373 -14.342 1.00 0.00 N ATOM 458 CD2 HIS A 34 18.942 -8.992 -12.636 1.00 0.00 C ATOM 459 CE1 HIS A 34 18.853 -9.365 -14.790 1.00 0.00 C ATOM 460 NE2 HIS A 34 19.679 -9.129 -13.731 1.00 0.00 N ATOM 0 H HIS A 34 14.600 -7.340 -10.345 1.00 0.00 H new ATOM 0 HA HIS A 34 16.425 -7.015 -12.571 1.00 0.00 H new ATOM 0 HB2 HIS A 34 16.617 -9.410 -11.125 1.00 0.00 H new ATOM 0 HB3 HIS A 34 15.650 -9.788 -12.536 1.00 0.00 H new ATOM 0 HD2 HIS A 34 19.317 -8.796 -11.642 1.00 0.00 H new ATOM 0 HE1 HIS A 34 19.161 -9.518 -15.814 1.00 0.00 H new ATOM 0 HE2 HIS A 34 20.696 -9.068 -13.774 1.00 0.00 H new ATOM 468 N GLY A 35 13.900 -6.403 -12.945 1.00 0.00 N ATOM 469 CA GLY A 35 12.635 -6.185 -13.624 1.00 0.00 C ATOM 470 C GLY A 35 11.465 -6.257 -12.641 1.00 0.00 C ATOM 471 O GLY A 35 10.590 -5.393 -12.647 1.00 0.00 O ATOM 0 H GLY A 35 14.350 -5.555 -12.599 1.00 0.00 H new ATOM 0 HA2 GLY A 35 12.644 -5.211 -14.113 1.00 0.00 H new ATOM 0 HA3 GLY A 35 12.504 -6.933 -14.406 1.00 0.00 H new ATOM 475 N LEU A 36 11.488 -7.296 -11.819 1.00 0.00 N ATOM 476 CA LEU A 36 10.440 -7.492 -10.831 1.00 0.00 C ATOM 477 C LEU A 36 10.169 -6.169 -10.113 1.00 0.00 C ATOM 478 O LEU A 36 10.914 -5.205 -10.276 1.00 0.00 O ATOM 479 CB LEU A 36 10.801 -8.641 -9.888 1.00 0.00 C ATOM 480 CG LEU A 36 12.191 -8.575 -9.251 1.00 0.00 C ATOM 481 CD1 LEU A 36 12.206 -7.606 -8.068 1.00 0.00 C ATOM 482 CD2 LEU A 36 12.680 -9.970 -8.856 1.00 0.00 C ATOM 0 H LEU A 36 12.216 -8.011 -11.817 1.00 0.00 H new ATOM 0 HA LEU A 36 9.510 -7.789 -11.316 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.059 -8.677 -9.090 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.720 -9.577 -10.441 1.00 0.00 H new ATOM 0 HG LEU A 36 12.889 -8.188 -9.993 1.00 0.00 H new ATOM 0 HD11 LEU A 36 13.205 -7.578 -7.633 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.931 -6.609 -8.411 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.492 -7.940 -7.315 1.00 0.00 H new ATOM 0 HD21 LEU A 36 13.670 -9.895 -8.406 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.987 -10.409 -8.138 1.00 0.00 H new ATOM 0 HD23 LEU A 36 12.732 -10.602 -9.743 1.00 0.00 H new ATOM 494 N GLY A 37 9.098 -6.165 -9.331 1.00 0.00 N ATOM 495 CA GLY A 37 8.719 -4.977 -8.587 1.00 0.00 C ATOM 496 C GLY A 37 8.806 -5.223 -7.080 1.00 0.00 C ATOM 497 O GLY A 37 9.673 -5.964 -6.617 1.00 0.00 O ATOM 0 H GLY A 37 8.481 -6.966 -9.197 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.371 -4.148 -8.862 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.703 -4.685 -8.853 1.00 0.00 H new ATOM 501 N ILE A 38 7.897 -4.587 -6.355 1.00 0.00 N ATOM 502 CA ILE A 38 7.861 -4.727 -4.909 1.00 0.00 C ATOM 503 C ILE A 38 7.022 -5.953 -4.541 1.00 0.00 C ATOM 504 O ILE A 38 6.023 -6.246 -5.197 1.00 0.00 O ATOM 505 CB ILE A 38 7.375 -3.431 -4.257 1.00 0.00 C ATOM 506 CG1 ILE A 38 8.121 -2.221 -4.821 1.00 0.00 C ATOM 507 CG2 ILE A 38 7.482 -3.511 -2.733 1.00 0.00 C ATOM 508 CD1 ILE A 38 9.633 -2.379 -4.648 1.00 0.00 C ATOM 0 H ILE A 38 7.180 -3.974 -6.742 1.00 0.00 H new ATOM 0 HA ILE A 38 8.864 -4.897 -4.517 1.00 0.00 H new ATOM 0 HB ILE A 38 6.320 -3.301 -4.499 1.00 0.00 H new ATOM 0 HG12 ILE A 38 7.883 -2.103 -5.878 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.786 -1.315 -4.316 1.00 0.00 H new ATOM 0 HG21 ILE A 38 7.130 -2.577 -2.294 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.871 -4.336 -2.368 1.00 0.00 H new ATOM 0 HG23 ILE A 38 8.521 -3.676 -2.449 1.00 0.00 H new ATOM 0 HD11 ILE A 38 10.139 -1.505 -5.057 1.00 0.00 H new ATOM 0 HD12 ILE A 38 9.870 -2.472 -3.588 1.00 0.00 H new ATOM 0 HD13 ILE A 38 9.968 -3.272 -5.175 1.00 0.00 H new ATOM 520 N PHE A 39 7.459 -6.636 -3.493 1.00 0.00 N ATOM 521 CA PHE A 39 6.761 -7.823 -3.030 1.00 0.00 C ATOM 522 C PHE A 39 6.436 -7.722 -1.538 1.00 0.00 C ATOM 523 O PHE A 39 7.264 -7.270 -0.749 1.00 0.00 O ATOM 524 CB PHE A 39 7.699 -9.011 -3.256 1.00 0.00 C ATOM 525 CG PHE A 39 7.990 -9.302 -4.730 1.00 0.00 C ATOM 526 CD1 PHE A 39 7.092 -10.001 -5.475 1.00 0.00 C ATOM 527 CD2 PHE A 39 9.146 -8.861 -5.294 1.00 0.00 C ATOM 528 CE1 PHE A 39 7.363 -10.272 -6.842 1.00 0.00 C ATOM 529 CE2 PHE A 39 9.416 -9.132 -6.662 1.00 0.00 C ATOM 530 CZ PHE A 39 8.519 -9.831 -7.407 1.00 0.00 C ATOM 0 H PHE A 39 8.288 -6.390 -2.952 1.00 0.00 H new ATOM 0 HA PHE A 39 5.822 -7.937 -3.572 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.641 -8.821 -2.741 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.261 -9.899 -2.801 1.00 0.00 H new ATOM 0 HD1 PHE A 39 6.173 -10.350 -5.027 1.00 0.00 H new ATOM 0 HD2 PHE A 39 9.858 -8.305 -4.702 1.00 0.00 H new ATOM 0 HE1 PHE A 39 6.651 -10.828 -7.433 1.00 0.00 H new ATOM 0 HE2 PHE A 39 10.334 -8.783 -7.110 1.00 0.00 H new ATOM 0 HZ PHE A 39 8.724 -10.036 -8.447 1.00 0.00 H new ATOM 540 N VAL A 40 5.229 -8.150 -1.197 1.00 0.00 N ATOM 541 CA VAL A 40 4.785 -8.112 0.186 1.00 0.00 C ATOM 542 C VAL A 40 5.341 -9.330 0.928 1.00 0.00 C ATOM 543 O VAL A 40 5.155 -10.465 0.492 1.00 0.00 O ATOM 544 CB VAL A 40 3.259 -8.022 0.243 1.00 0.00 C ATOM 545 CG1 VAL A 40 2.782 -7.692 1.659 1.00 0.00 C ATOM 546 CG2 VAL A 40 2.732 -6.999 -0.765 1.00 0.00 C ATOM 0 H VAL A 40 4.545 -8.525 -1.855 1.00 0.00 H new ATOM 0 HA VAL A 40 5.168 -7.223 0.687 1.00 0.00 H new ATOM 0 HB VAL A 40 2.856 -8.998 -0.028 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.694 -7.634 1.672 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.112 -8.472 2.345 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.200 -6.735 1.970 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.645 -6.955 -0.704 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.148 -6.017 -0.539 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.027 -7.295 -1.772 1.00 0.00 H new ATOM 556 N SER A 41 6.011 -9.052 2.036 1.00 0.00 N ATOM 557 CA SER A 41 6.595 -10.110 2.843 1.00 0.00 C ATOM 558 C SER A 41 5.643 -10.485 3.981 1.00 0.00 C ATOM 559 O SER A 41 5.286 -11.652 4.137 1.00 0.00 O ATOM 560 CB SER A 41 7.954 -9.688 3.405 1.00 0.00 C ATOM 561 OG SER A 41 8.094 -10.034 4.780 1.00 0.00 O ATOM 0 H SER A 41 6.163 -8.109 2.394 1.00 0.00 H new ATOM 0 HA SER A 41 6.751 -10.980 2.206 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.748 -10.163 2.829 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.076 -8.611 3.288 1.00 0.00 H new ATOM 0 HG SER A 41 8.975 -9.749 5.101 1.00 0.00 H new ATOM 567 N LYS A 42 5.260 -9.475 4.747 1.00 0.00 N ATOM 568 CA LYS A 42 4.357 -9.684 5.866 1.00 0.00 C ATOM 569 C LYS A 42 3.239 -8.640 5.816 1.00 0.00 C ATOM 570 O LYS A 42 3.313 -7.683 5.046 1.00 0.00 O ATOM 571 CB LYS A 42 5.132 -9.693 7.185 1.00 0.00 C ATOM 572 CG LYS A 42 4.556 -10.730 8.152 1.00 0.00 C ATOM 573 CD LYS A 42 5.578 -11.831 8.446 1.00 0.00 C ATOM 574 CE LYS A 42 4.889 -13.090 8.976 1.00 0.00 C ATOM 575 NZ LYS A 42 5.003 -13.163 10.449 1.00 0.00 N ATOM 0 H LYS A 42 5.559 -8.509 4.615 1.00 0.00 H new ATOM 0 HA LYS A 42 3.883 -10.663 5.795 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.182 -9.914 6.993 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.092 -8.704 7.641 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.263 -10.243 9.082 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.655 -11.170 7.725 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.132 -12.070 7.538 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.303 -11.474 9.177 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.838 -13.086 8.687 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.340 -13.975 8.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.530 -14.024 10.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.007 -13.189 10.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.552 -12.328 10.874 1.00 0.00 H new ATOM 589 N VAL A 43 2.231 -8.860 6.646 1.00 0.00 N ATOM 590 CA VAL A 43 1.099 -7.950 6.707 1.00 0.00 C ATOM 591 C VAL A 43 0.595 -7.865 8.149 1.00 0.00 C ATOM 592 O VAL A 43 -0.001 -8.812 8.659 1.00 0.00 O ATOM 593 CB VAL A 43 0.017 -8.395 5.720 1.00 0.00 C ATOM 594 CG1 VAL A 43 -1.280 -7.614 5.941 1.00 0.00 C ATOM 595 CG2 VAL A 43 0.502 -8.255 4.276 1.00 0.00 C ATOM 0 H VAL A 43 2.174 -9.655 7.282 1.00 0.00 H new ATOM 0 HA VAL A 43 1.399 -6.946 6.409 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.191 -9.449 5.903 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.033 -7.949 5.227 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.640 -7.786 6.955 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.093 -6.550 5.798 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.285 -8.578 3.595 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.751 -7.213 4.075 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.386 -8.874 4.128 1.00 0.00 H new ATOM 605 N GLU A 44 0.853 -6.721 8.765 1.00 0.00 N ATOM 606 CA GLU A 44 0.432 -6.500 10.138 1.00 0.00 C ATOM 607 C GLU A 44 -1.054 -6.824 10.297 1.00 0.00 C ATOM 608 O GLU A 44 -1.885 -6.334 9.534 1.00 0.00 O ATOM 609 CB GLU A 44 0.731 -5.066 10.579 1.00 0.00 C ATOM 610 CG GLU A 44 1.512 -5.047 11.895 1.00 0.00 C ATOM 611 CD GLU A 44 1.032 -3.912 12.802 1.00 0.00 C ATOM 612 OE1 GLU A 44 1.238 -2.744 12.407 1.00 0.00 O ATOM 613 OE2 GLU A 44 0.470 -4.238 13.869 1.00 0.00 O ATOM 0 H GLU A 44 1.348 -5.938 8.339 1.00 0.00 H new ATOM 0 HA GLU A 44 1.000 -7.170 10.784 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.304 -4.556 9.805 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.203 -4.517 10.698 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.392 -6.002 12.407 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.576 -4.927 11.689 1.00 0.00 H new ATOM 620 N GLU A 45 -1.345 -7.648 11.293 1.00 0.00 N ATOM 621 CA GLU A 45 -2.717 -8.043 11.562 1.00 0.00 C ATOM 622 C GLU A 45 -3.510 -6.861 12.123 1.00 0.00 C ATOM 623 O GLU A 45 -2.927 -5.865 12.550 1.00 0.00 O ATOM 624 CB GLU A 45 -2.767 -9.238 12.516 1.00 0.00 C ATOM 625 CG GLU A 45 -2.675 -8.781 13.973 1.00 0.00 C ATOM 626 CD GLU A 45 -2.329 -9.953 14.894 1.00 0.00 C ATOM 627 OE1 GLU A 45 -3.265 -10.717 15.216 1.00 0.00 O ATOM 628 OE2 GLU A 45 -1.138 -10.058 15.257 1.00 0.00 O ATOM 0 H GLU A 45 -0.653 -8.053 11.924 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.176 -8.350 10.622 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.693 -9.792 12.363 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -1.947 -9.921 12.293 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.917 -8.004 14.067 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.623 -8.340 14.280 1.00 0.00 H new ATOM 635 N GLY A 46 -4.826 -7.010 12.104 1.00 0.00 N ATOM 636 CA GLY A 46 -5.705 -5.967 12.605 1.00 0.00 C ATOM 637 C GLY A 46 -5.252 -4.588 12.119 1.00 0.00 C ATOM 638 O GLY A 46 -5.518 -3.579 12.770 1.00 0.00 O ATOM 0 H GLY A 46 -5.305 -7.838 11.749 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.726 -6.156 12.273 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.715 -5.987 13.695 1.00 0.00 H new ATOM 642 N SER A 47 -4.577 -4.590 10.979 1.00 0.00 N ATOM 643 CA SER A 47 -4.085 -3.352 10.399 1.00 0.00 C ATOM 644 C SER A 47 -4.979 -2.931 9.231 1.00 0.00 C ATOM 645 O SER A 47 -5.968 -3.598 8.929 1.00 0.00 O ATOM 646 CB SER A 47 -2.636 -3.501 9.931 1.00 0.00 C ATOM 647 OG SER A 47 -2.546 -3.686 8.521 1.00 0.00 O ATOM 0 H SER A 47 -4.359 -5.429 10.442 1.00 0.00 H new ATOM 0 HA SER A 47 -4.113 -2.579 11.167 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.070 -2.615 10.217 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.177 -4.350 10.438 1.00 0.00 H new ATOM 0 HG SER A 47 -2.297 -4.614 8.328 1.00 0.00 H new ATOM 653 N SER A 48 -4.599 -1.827 8.605 1.00 0.00 N ATOM 654 CA SER A 48 -5.354 -1.309 7.476 1.00 0.00 C ATOM 655 C SER A 48 -5.045 -2.126 6.220 1.00 0.00 C ATOM 656 O SER A 48 -5.836 -2.147 5.279 1.00 0.00 O ATOM 657 CB SER A 48 -5.042 0.170 7.237 1.00 0.00 C ATOM 658 OG SER A 48 -5.893 1.025 7.996 1.00 0.00 O ATOM 0 H SER A 48 -3.778 -1.277 8.858 1.00 0.00 H new ATOM 0 HA SER A 48 -6.416 -1.396 7.706 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.003 0.368 7.499 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.153 0.397 6.177 1.00 0.00 H new ATOM 0 HG SER A 48 -5.480 1.910 8.077 1.00 0.00 H new ATOM 664 N ALA A 49 -3.892 -2.779 6.247 1.00 0.00 N ATOM 665 CA ALA A 49 -3.469 -3.596 5.122 1.00 0.00 C ATOM 666 C ALA A 49 -4.321 -4.865 5.069 1.00 0.00 C ATOM 667 O ALA A 49 -5.141 -5.029 4.167 1.00 0.00 O ATOM 668 CB ALA A 49 -1.975 -3.902 5.247 1.00 0.00 C ATOM 0 H ALA A 49 -3.238 -2.759 7.030 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.616 -3.062 4.183 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -1.657 -4.515 4.403 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.412 -2.969 5.250 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -1.790 -4.441 6.177 1.00 0.00 H new ATOM 674 N GLU A 50 -4.099 -5.730 6.048 1.00 0.00 N ATOM 675 CA GLU A 50 -4.837 -6.979 6.124 1.00 0.00 C ATOM 676 C GLU A 50 -6.325 -6.734 5.866 1.00 0.00 C ATOM 677 O GLU A 50 -7.013 -7.594 5.319 1.00 0.00 O ATOM 678 CB GLU A 50 -4.620 -7.662 7.476 1.00 0.00 C ATOM 679 CG GLU A 50 -4.223 -9.128 7.293 1.00 0.00 C ATOM 680 CD GLU A 50 -5.184 -10.054 8.043 1.00 0.00 C ATOM 681 OE1 GLU A 50 -5.038 -10.140 9.281 1.00 0.00 O ATOM 682 OE2 GLU A 50 -6.041 -10.655 7.360 1.00 0.00 O ATOM 0 H GLU A 50 -3.419 -5.590 6.795 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.460 -7.648 5.351 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.842 -7.138 8.031 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.532 -7.600 8.069 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.224 -9.379 6.232 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.207 -9.281 7.656 1.00 0.00 H new ATOM 689 N ARG A 51 -6.777 -5.556 6.271 1.00 0.00 N ATOM 690 CA ARG A 51 -8.170 -5.187 6.090 1.00 0.00 C ATOM 691 C ARG A 51 -8.388 -4.608 4.691 1.00 0.00 C ATOM 692 O ARG A 51 -9.432 -4.830 4.079 1.00 0.00 O ATOM 693 CB ARG A 51 -8.607 -4.158 7.135 1.00 0.00 C ATOM 694 CG ARG A 51 -9.005 -4.841 8.445 1.00 0.00 C ATOM 695 CD ARG A 51 -10.198 -4.134 9.092 1.00 0.00 C ATOM 696 NE ARG A 51 -10.885 -5.053 10.026 1.00 0.00 N ATOM 697 CZ ARG A 51 -11.898 -4.692 10.825 1.00 0.00 C ATOM 698 NH1 ARG A 51 -12.348 -3.430 10.809 1.00 0.00 N ATOM 699 NH2 ARG A 51 -12.462 -5.594 11.641 1.00 0.00 N ATOM 0 H ARG A 51 -6.203 -4.845 6.724 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.771 -6.088 6.211 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.795 -3.455 7.320 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -9.448 -3.580 6.752 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.256 -5.884 8.254 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.159 -4.838 9.133 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.859 -3.246 9.626 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -10.893 -3.798 8.323 1.00 0.00 H new ATOM 0 HE ARG A 51 -10.568 -6.022 10.064 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -11.919 -2.744 10.188 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -13.119 -3.156 11.418 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -12.120 -6.555 11.653 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -13.233 -5.319 12.249 1.00 0.00 H new ATOM 713 N ALA A 52 -7.386 -3.876 4.225 1.00 0.00 N ATOM 714 CA ALA A 52 -7.456 -3.263 2.910 1.00 0.00 C ATOM 715 C ALA A 52 -7.510 -4.359 1.844 1.00 0.00 C ATOM 716 O ALA A 52 -7.943 -4.115 0.718 1.00 0.00 O ATOM 717 CB ALA A 52 -6.263 -2.324 2.720 1.00 0.00 C ATOM 0 H ALA A 52 -6.522 -3.694 4.735 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.361 -2.664 2.814 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.316 -1.864 1.733 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.286 -1.547 3.484 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.336 -2.891 2.807 1.00 0.00 H new ATOM 723 N GLY A 53 -7.065 -5.544 2.235 1.00 0.00 N ATOM 724 CA GLY A 53 -7.057 -6.679 1.327 1.00 0.00 C ATOM 725 C GLY A 53 -5.631 -7.175 1.082 1.00 0.00 C ATOM 726 O GLY A 53 -5.432 -8.226 0.474 1.00 0.00 O ATOM 0 H GLY A 53 -6.707 -5.743 3.169 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.660 -7.486 1.743 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.515 -6.395 0.380 1.00 0.00 H new ATOM 730 N LEU A 54 -4.676 -6.397 1.568 1.00 0.00 N ATOM 731 CA LEU A 54 -3.274 -6.744 1.410 1.00 0.00 C ATOM 732 C LEU A 54 -2.947 -7.945 2.299 1.00 0.00 C ATOM 733 O LEU A 54 -3.257 -7.944 3.489 1.00 0.00 O ATOM 734 CB LEU A 54 -2.387 -5.526 1.672 1.00 0.00 C ATOM 735 CG LEU A 54 -0.951 -5.617 1.152 1.00 0.00 C ATOM 736 CD1 LEU A 54 -0.921 -5.627 -0.378 1.00 0.00 C ATOM 737 CD2 LEU A 54 -0.084 -4.499 1.735 1.00 0.00 C ATOM 0 H LEU A 54 -4.845 -5.527 2.072 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.070 -7.043 0.382 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.860 -4.653 1.222 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.352 -5.351 2.747 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.526 -6.563 1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.111 -5.692 -0.721 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.481 -6.486 -0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.372 -4.710 -0.757 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.932 -4.587 1.349 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.498 -3.532 1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.067 -4.581 2.822 1.00 0.00 H new ATOM 749 N CYS A 55 -2.325 -8.942 1.687 1.00 0.00 N ATOM 750 CA CYS A 55 -1.952 -10.147 2.409 1.00 0.00 C ATOM 751 C CYS A 55 -0.504 -10.491 2.055 1.00 0.00 C ATOM 752 O CYS A 55 0.176 -9.715 1.386 1.00 0.00 O ATOM 753 CB CYS A 55 -2.904 -11.306 2.105 1.00 0.00 C ATOM 754 SG CYS A 55 -4.298 -11.298 3.290 1.00 0.00 S ATOM 0 H CYS A 55 -2.070 -8.940 0.699 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.030 -9.970 3.482 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -3.282 -11.220 1.086 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -2.368 -12.253 2.167 1.00 0.00 H new ATOM 0 HG CYS A 55 -5.101 -12.284 3.022 1.00 0.00 H new ATOM 760 N VAL A 56 -0.075 -11.655 2.521 1.00 0.00 N ATOM 761 CA VAL A 56 1.280 -12.110 2.262 1.00 0.00 C ATOM 762 C VAL A 56 1.332 -12.793 0.894 1.00 0.00 C ATOM 763 O VAL A 56 0.363 -13.424 0.474 1.00 0.00 O ATOM 764 CB VAL A 56 1.754 -13.017 3.400 1.00 0.00 C ATOM 765 CG1 VAL A 56 2.915 -13.905 2.947 1.00 0.00 C ATOM 766 CG2 VAL A 56 2.140 -12.195 4.631 1.00 0.00 C ATOM 0 H VAL A 56 -0.642 -12.296 3.076 1.00 0.00 H new ATOM 0 HA VAL A 56 1.967 -11.264 2.230 1.00 0.00 H new ATOM 0 HB VAL A 56 0.924 -13.667 3.678 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.232 -14.539 3.775 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.592 -14.530 2.114 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.749 -13.279 2.629 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.473 -12.863 5.425 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.946 -11.509 4.372 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.276 -11.626 4.974 1.00 0.00 H new ATOM 776 N GLY A 57 2.472 -12.642 0.235 1.00 0.00 N ATOM 777 CA GLY A 57 2.662 -13.236 -1.077 1.00 0.00 C ATOM 778 C GLY A 57 2.280 -12.252 -2.185 1.00 0.00 C ATOM 779 O GLY A 57 2.787 -12.343 -3.302 1.00 0.00 O ATOM 0 H GLY A 57 3.273 -12.117 0.586 1.00 0.00 H new ATOM 0 HA2 GLY A 57 3.703 -13.538 -1.196 1.00 0.00 H new ATOM 0 HA3 GLY A 57 2.057 -14.139 -1.163 1.00 0.00 H new ATOM 783 N ASP A 58 1.390 -11.335 -1.836 1.00 0.00 N ATOM 784 CA ASP A 58 0.935 -10.335 -2.787 1.00 0.00 C ATOM 785 C ASP A 58 2.148 -9.659 -3.430 1.00 0.00 C ATOM 786 O ASP A 58 3.198 -9.532 -2.802 1.00 0.00 O ATOM 787 CB ASP A 58 0.104 -9.254 -2.094 1.00 0.00 C ATOM 788 CG ASP A 58 -1.380 -9.588 -1.924 1.00 0.00 C ATOM 789 OD1 ASP A 58 -1.724 -10.769 -2.147 1.00 0.00 O ATOM 790 OD2 ASP A 58 -2.135 -8.655 -1.576 1.00 0.00 O ATOM 0 H ASP A 58 0.972 -11.263 -0.908 1.00 0.00 H new ATOM 0 HA ASP A 58 0.322 -10.837 -3.536 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.533 -9.062 -1.110 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.190 -8.329 -2.665 1.00 0.00 H new ATOM 795 N LYS A 59 1.963 -9.243 -4.674 1.00 0.00 N ATOM 796 CA LYS A 59 3.028 -8.583 -5.409 1.00 0.00 C ATOM 797 C LYS A 59 2.506 -7.265 -5.984 1.00 0.00 C ATOM 798 O LYS A 59 1.818 -7.258 -7.004 1.00 0.00 O ATOM 799 CB LYS A 59 3.615 -9.525 -6.463 1.00 0.00 C ATOM 800 CG LYS A 59 4.598 -8.785 -7.373 1.00 0.00 C ATOM 801 CD LYS A 59 4.708 -9.473 -8.735 1.00 0.00 C ATOM 802 CE LYS A 59 5.707 -8.746 -9.637 1.00 0.00 C ATOM 803 NZ LYS A 59 6.632 -9.712 -10.271 1.00 0.00 N ATOM 0 H LYS A 59 1.091 -9.350 -5.192 1.00 0.00 H new ATOM 0 HA LYS A 59 3.853 -8.334 -4.742 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.123 -10.355 -5.972 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.811 -9.953 -7.062 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.269 -7.754 -7.508 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.579 -8.748 -6.900 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.021 -10.508 -8.599 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.730 -9.496 -9.215 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.172 -8.187 -10.405 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.273 -8.021 -9.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.248 -9.213 -10.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.215 -10.166 -9.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.084 -10.437 -10.776 1.00 0.00 H new ATOM 817 N ILE A 60 2.852 -6.182 -5.305 1.00 0.00 N ATOM 818 CA ILE A 60 2.426 -4.861 -5.736 1.00 0.00 C ATOM 819 C ILE A 60 3.114 -4.514 -7.057 1.00 0.00 C ATOM 820 O ILE A 60 4.327 -4.313 -7.096 1.00 0.00 O ATOM 821 CB ILE A 60 2.667 -3.833 -4.628 1.00 0.00 C ATOM 822 CG1 ILE A 60 1.901 -4.206 -3.358 1.00 0.00 C ATOM 823 CG2 ILE A 60 2.328 -2.420 -5.109 1.00 0.00 C ATOM 824 CD1 ILE A 60 2.771 -4.009 -2.115 1.00 0.00 C ATOM 0 H ILE A 60 3.422 -6.192 -4.459 1.00 0.00 H new ATOM 0 HA ILE A 60 1.352 -4.849 -5.923 1.00 0.00 H new ATOM 0 HB ILE A 60 3.728 -3.842 -4.378 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.003 -3.594 -3.278 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.575 -5.244 -3.417 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.508 -1.708 -4.303 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.955 -2.166 -5.964 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.279 -2.378 -5.403 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.202 -4.281 -1.226 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.657 -4.640 -2.187 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.075 -2.965 -2.045 1.00 0.00 H new ATOM 836 N THR A 61 2.310 -4.454 -8.109 1.00 0.00 N ATOM 837 CA THR A 61 2.826 -4.134 -9.429 1.00 0.00 C ATOM 838 C THR A 61 2.781 -2.624 -9.668 1.00 0.00 C ATOM 839 O THR A 61 3.526 -2.100 -10.495 1.00 0.00 O ATOM 840 CB THR A 61 2.025 -4.936 -10.456 1.00 0.00 C ATOM 841 OG1 THR A 61 0.727 -4.350 -10.418 1.00 0.00 O ATOM 842 CG2 THR A 61 1.794 -6.384 -10.018 1.00 0.00 C ATOM 0 H THR A 61 1.305 -4.622 -8.074 1.00 0.00 H new ATOM 0 HA THR A 61 3.875 -4.414 -9.522 1.00 0.00 H new ATOM 0 HB THR A 61 2.548 -4.926 -11.412 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.205 -4.757 -9.695 1.00 0.00 H new ATOM 0 HG21 THR A 61 1.221 -6.908 -10.783 1.00 0.00 H new ATOM 0 HG22 THR A 61 2.755 -6.880 -9.881 1.00 0.00 H new ATOM 0 HG23 THR A 61 1.242 -6.396 -9.078 1.00 0.00 H new ATOM 850 N GLU A 62 1.901 -1.966 -8.928 1.00 0.00 N ATOM 851 CA GLU A 62 1.749 -0.526 -9.049 1.00 0.00 C ATOM 852 C GLU A 62 1.079 0.045 -7.798 1.00 0.00 C ATOM 853 O GLU A 62 0.395 -0.676 -7.072 1.00 0.00 O ATOM 854 CB GLU A 62 0.960 -0.161 -10.308 1.00 0.00 C ATOM 855 CG GLU A 62 0.572 1.318 -10.303 1.00 0.00 C ATOM 856 CD GLU A 62 -0.012 1.737 -11.653 1.00 0.00 C ATOM 857 OE1 GLU A 62 0.773 1.773 -12.625 1.00 0.00 O ATOM 858 OE2 GLU A 62 -1.231 2.012 -11.684 1.00 0.00 O ATOM 0 H GLU A 62 1.286 -2.404 -8.242 1.00 0.00 H new ATOM 0 HA GLU A 62 2.741 -0.083 -9.140 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.558 -0.381 -11.192 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.062 -0.776 -10.370 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.157 1.504 -9.514 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.448 1.926 -10.077 1.00 0.00 H new ATOM 865 N VAL A 63 1.298 1.333 -7.583 1.00 0.00 N ATOM 866 CA VAL A 63 0.723 2.009 -6.432 1.00 0.00 C ATOM 867 C VAL A 63 0.640 3.510 -6.715 1.00 0.00 C ATOM 868 O VAL A 63 1.536 4.078 -7.337 1.00 0.00 O ATOM 869 CB VAL A 63 1.533 1.682 -5.175 1.00 0.00 C ATOM 870 CG1 VAL A 63 3.035 1.733 -5.463 1.00 0.00 C ATOM 871 CG2 VAL A 63 1.163 2.620 -4.025 1.00 0.00 C ATOM 0 H VAL A 63 1.866 1.927 -8.187 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.292 1.656 -6.250 1.00 0.00 H new ATOM 0 HB VAL A 63 1.284 0.665 -4.871 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.588 1.497 -4.554 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.282 1.006 -6.237 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.306 2.732 -5.804 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.753 2.366 -3.144 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.369 3.650 -4.315 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.103 2.513 -3.795 1.00 0.00 H new ATOM 881 N ASN A 64 -0.445 4.109 -6.246 1.00 0.00 N ATOM 882 CA ASN A 64 -0.657 5.533 -6.442 1.00 0.00 C ATOM 883 C ASN A 64 -0.484 5.871 -7.924 1.00 0.00 C ATOM 884 O ASN A 64 -0.195 7.014 -8.274 1.00 0.00 O ATOM 885 CB ASN A 64 0.359 6.355 -5.647 1.00 0.00 C ATOM 886 CG ASN A 64 -0.344 7.299 -4.669 1.00 0.00 C ATOM 887 OD1 ASN A 64 -1.250 8.036 -5.020 1.00 0.00 O ATOM 888 ND2 ASN A 64 0.124 7.235 -3.426 1.00 0.00 N ATOM 0 H ASN A 64 -1.186 3.634 -5.731 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.663 5.775 -6.100 1.00 0.00 H new ATOM 0 HB2 ASN A 64 1.024 5.687 -5.099 1.00 0.00 H new ATOM 0 HB3 ASN A 64 0.981 6.932 -6.332 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -0.278 7.826 -2.698 1.00 0.00 H new ATOM 0 HD22 ASN A 64 0.885 6.595 -3.200 1.00 0.00 H new ATOM 895 N GLY A 65 -0.668 4.856 -8.755 1.00 0.00 N ATOM 896 CA GLY A 65 -0.536 5.031 -10.191 1.00 0.00 C ATOM 897 C GLY A 65 0.892 4.732 -10.651 1.00 0.00 C ATOM 898 O GLY A 65 1.097 4.151 -11.715 1.00 0.00 O ATOM 0 H GLY A 65 -0.908 3.909 -8.461 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.234 4.371 -10.707 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.803 6.052 -10.463 1.00 0.00 H new ATOM 902 N LEU A 66 1.844 5.143 -9.826 1.00 0.00 N ATOM 903 CA LEU A 66 3.247 4.927 -10.134 1.00 0.00 C ATOM 904 C LEU A 66 3.544 3.426 -10.112 1.00 0.00 C ATOM 905 O LEU A 66 3.281 2.752 -9.117 1.00 0.00 O ATOM 906 CB LEU A 66 4.135 5.743 -9.193 1.00 0.00 C ATOM 907 CG LEU A 66 4.237 7.239 -9.496 1.00 0.00 C ATOM 908 CD1 LEU A 66 5.398 7.528 -10.449 1.00 0.00 C ATOM 909 CD2 LEU A 66 2.909 7.782 -10.030 1.00 0.00 C ATOM 0 H LEU A 66 1.671 5.625 -8.944 1.00 0.00 H new ATOM 0 HA LEU A 66 3.475 5.284 -11.138 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.760 5.623 -8.177 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.139 5.319 -9.214 1.00 0.00 H new ATOM 0 HG LEU A 66 4.448 7.762 -8.563 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.448 8.599 -10.648 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.332 7.199 -9.994 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.242 6.992 -11.385 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.009 8.847 -10.237 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.644 7.257 -10.948 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.128 7.629 -9.286 1.00 0.00 H new ATOM 921 N SER A 67 4.088 2.946 -11.221 1.00 0.00 N ATOM 922 CA SER A 67 4.423 1.538 -11.342 1.00 0.00 C ATOM 923 C SER A 67 5.729 1.245 -10.600 1.00 0.00 C ATOM 924 O SER A 67 6.662 2.046 -10.639 1.00 0.00 O ATOM 925 CB SER A 67 4.543 1.123 -12.810 1.00 0.00 C ATOM 926 OG SER A 67 5.038 -0.205 -12.951 1.00 0.00 O ATOM 0 H SER A 67 4.305 3.508 -12.044 1.00 0.00 H new ATOM 0 HA SER A 67 3.618 0.956 -10.893 1.00 0.00 H new ATOM 0 HB2 SER A 67 3.567 1.199 -13.289 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.207 1.814 -13.329 1.00 0.00 H new ATOM 0 HG SER A 67 5.098 -0.432 -13.902 1.00 0.00 H new ATOM 932 N LEU A 68 5.753 0.096 -9.940 1.00 0.00 N ATOM 933 CA LEU A 68 6.929 -0.312 -9.191 1.00 0.00 C ATOM 934 C LEU A 68 7.587 -1.503 -9.890 1.00 0.00 C ATOM 935 O LEU A 68 8.358 -2.239 -9.277 1.00 0.00 O ATOM 936 CB LEU A 68 6.566 -0.581 -7.729 1.00 0.00 C ATOM 937 CG LEU A 68 5.552 0.378 -7.102 1.00 0.00 C ATOM 938 CD1 LEU A 68 5.347 0.067 -5.619 1.00 0.00 C ATOM 939 CD2 LEU A 68 5.961 1.835 -7.331 1.00 0.00 C ATOM 0 H LEU A 68 4.977 -0.565 -9.909 1.00 0.00 H new ATOM 0 HA LEU A 68 7.665 0.492 -9.171 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.172 -1.595 -7.654 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.480 -0.549 -7.137 1.00 0.00 H new ATOM 0 HG LEU A 68 4.592 0.231 -7.597 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.622 0.763 -5.198 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.978 -0.953 -5.509 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.295 0.168 -5.092 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.224 2.496 -6.875 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.937 2.014 -6.880 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.014 2.034 -8.401 1.00 0.00 H new ATOM 951 N GLU A 69 7.257 -1.656 -11.164 1.00 0.00 N ATOM 952 CA GLU A 69 7.806 -2.745 -11.954 1.00 0.00 C ATOM 953 C GLU A 69 9.198 -2.377 -12.471 1.00 0.00 C ATOM 954 O GLU A 69 9.804 -3.135 -13.228 1.00 0.00 O ATOM 955 CB GLU A 69 6.871 -3.111 -13.108 1.00 0.00 C ATOM 956 CG GLU A 69 5.663 -3.904 -12.605 1.00 0.00 C ATOM 957 CD GLU A 69 5.322 -5.050 -13.559 1.00 0.00 C ATOM 958 OE1 GLU A 69 6.029 -6.078 -13.486 1.00 0.00 O ATOM 959 OE2 GLU A 69 4.363 -4.872 -14.340 1.00 0.00 O ATOM 0 H GLU A 69 6.616 -1.044 -11.669 1.00 0.00 H new ATOM 0 HA GLU A 69 7.898 -3.622 -11.313 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.532 -2.204 -13.608 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.414 -3.699 -13.848 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.873 -4.303 -11.613 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.804 -3.241 -12.506 1.00 0.00 H new ATOM 966 N SER A 70 9.664 -1.213 -12.043 1.00 0.00 N ATOM 967 CA SER A 70 10.973 -0.735 -12.454 1.00 0.00 C ATOM 968 C SER A 70 11.310 0.565 -11.720 1.00 0.00 C ATOM 969 O SER A 70 11.740 1.538 -12.338 1.00 0.00 O ATOM 970 CB SER A 70 11.031 -0.519 -13.968 1.00 0.00 C ATOM 971 OG SER A 70 12.370 -0.517 -14.456 1.00 0.00 O ATOM 0 H SER A 70 9.159 -0.587 -11.416 1.00 0.00 H new ATOM 0 HA SER A 70 11.711 -1.494 -12.194 1.00 0.00 H new ATOM 0 HB2 SER A 70 10.464 -1.304 -14.468 1.00 0.00 H new ATOM 0 HB3 SER A 70 10.553 0.428 -14.218 1.00 0.00 H new ATOM 0 HG SER A 70 12.364 -0.378 -15.426 1.00 0.00 H new ATOM 977 N THR A 71 11.102 0.539 -10.412 1.00 0.00 N ATOM 978 CA THR A 71 11.378 1.702 -9.587 1.00 0.00 C ATOM 979 C THR A 71 12.089 1.286 -8.298 1.00 0.00 C ATOM 980 O THR A 71 11.925 0.160 -7.830 1.00 0.00 O ATOM 981 CB THR A 71 10.056 2.433 -9.342 1.00 0.00 C ATOM 982 OG1 THR A 71 10.076 3.508 -10.278 1.00 0.00 O ATOM 983 CG2 THR A 71 10.014 3.126 -7.979 1.00 0.00 C ATOM 0 H THR A 71 10.745 -0.270 -9.903 1.00 0.00 H new ATOM 0 HA THR A 71 12.059 2.389 -10.089 1.00 0.00 H new ATOM 0 HB THR A 71 9.231 1.725 -9.414 1.00 0.00 H new ATOM 0 HG1 THR A 71 9.254 4.034 -10.190 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.055 3.629 -7.856 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.138 2.385 -7.190 1.00 0.00 H new ATOM 0 HG23 THR A 71 10.819 3.859 -7.918 1.00 0.00 H new ATOM 991 N THR A 72 12.865 2.216 -7.760 1.00 0.00 N ATOM 992 CA THR A 72 13.602 1.959 -6.534 1.00 0.00 C ATOM 993 C THR A 72 12.641 1.842 -5.349 1.00 0.00 C ATOM 994 O THR A 72 11.657 2.576 -5.268 1.00 0.00 O ATOM 995 CB THR A 72 14.641 3.069 -6.367 1.00 0.00 C ATOM 996 OG1 THR A 72 15.303 2.744 -5.148 1.00 0.00 O ATOM 997 CG2 THR A 72 14.003 4.433 -6.092 1.00 0.00 C ATOM 0 H THR A 72 12.999 3.149 -8.151 1.00 0.00 H new ATOM 0 HA THR A 72 14.128 1.006 -6.580 1.00 0.00 H new ATOM 0 HB THR A 72 15.254 3.130 -7.266 1.00 0.00 H new ATOM 0 HG1 THR A 72 15.995 3.413 -4.963 1.00 0.00 H new ATOM 0 HG21 THR A 72 14.785 5.185 -5.982 1.00 0.00 H new ATOM 0 HG22 THR A 72 13.353 4.705 -6.924 1.00 0.00 H new ATOM 0 HG23 THR A 72 13.417 4.382 -5.175 1.00 0.00 H new ATOM 1005 N MET A 73 12.960 0.914 -4.459 1.00 0.00 N ATOM 1006 CA MET A 73 12.138 0.692 -3.282 1.00 0.00 C ATOM 1007 C MET A 73 11.830 2.011 -2.571 1.00 0.00 C ATOM 1008 O MET A 73 10.672 2.312 -2.287 1.00 0.00 O ATOM 1009 CB MET A 73 12.867 -0.248 -2.320 1.00 0.00 C ATOM 1010 CG MET A 73 11.912 -0.792 -1.256 1.00 0.00 C ATOM 1011 SD MET A 73 12.488 -2.377 -0.672 1.00 0.00 S ATOM 1012 CE MET A 73 10.986 -3.330 -0.830 1.00 0.00 C ATOM 0 H MET A 73 13.777 0.307 -4.529 1.00 0.00 H new ATOM 0 HA MET A 73 11.197 0.244 -3.599 1.00 0.00 H new ATOM 0 HB2 MET A 73 13.306 -1.076 -2.877 1.00 0.00 H new ATOM 0 HB3 MET A 73 13.688 0.283 -1.839 1.00 0.00 H new ATOM 0 HG2 MET A 73 11.844 -0.091 -0.424 1.00 0.00 H new ATOM 0 HG3 MET A 73 10.909 -0.891 -1.672 1.00 0.00 H new ATOM 0 HE1 MET A 73 10.839 -3.929 0.069 1.00 0.00 H new ATOM 0 HE2 MET A 73 10.139 -2.656 -0.959 1.00 0.00 H new ATOM 0 HE3 MET A 73 11.062 -3.988 -1.696 1.00 0.00 H new ATOM 1022 N GLY A 74 12.887 2.764 -2.305 1.00 0.00 N ATOM 1023 CA GLY A 74 12.744 4.044 -1.633 1.00 0.00 C ATOM 1024 C GLY A 74 11.508 4.793 -2.136 1.00 0.00 C ATOM 1025 O GLY A 74 10.530 4.944 -1.406 1.00 0.00 O ATOM 0 H GLY A 74 13.846 2.512 -2.543 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.666 3.887 -0.557 1.00 0.00 H new ATOM 0 HA3 GLY A 74 13.634 4.649 -1.803 1.00 0.00 H new ATOM 1029 N SER A 75 11.593 5.241 -3.380 1.00 0.00 N ATOM 1030 CA SER A 75 10.493 5.970 -3.989 1.00 0.00 C ATOM 1031 C SER A 75 9.160 5.331 -3.595 1.00 0.00 C ATOM 1032 O SER A 75 8.302 5.988 -3.007 1.00 0.00 O ATOM 1033 CB SER A 75 10.634 6.007 -5.512 1.00 0.00 C ATOM 1034 OG SER A 75 10.050 7.180 -6.073 1.00 0.00 O ATOM 0 H SER A 75 12.406 5.113 -3.983 1.00 0.00 H new ATOM 0 HA SER A 75 10.519 6.997 -3.623 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.690 5.964 -5.780 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.160 5.125 -5.942 1.00 0.00 H new ATOM 0 HG SER A 75 10.162 7.168 -7.047 1.00 0.00 H new ATOM 1040 N ALA A 76 9.027 4.057 -3.935 1.00 0.00 N ATOM 1041 CA ALA A 76 7.813 3.322 -3.624 1.00 0.00 C ATOM 1042 C ALA A 76 7.421 3.585 -2.169 1.00 0.00 C ATOM 1043 O ALA A 76 6.246 3.787 -1.866 1.00 0.00 O ATOM 1044 CB ALA A 76 8.029 1.834 -3.910 1.00 0.00 C ATOM 0 H ALA A 76 9.740 3.515 -4.423 1.00 0.00 H new ATOM 0 HA ALA A 76 6.989 3.659 -4.253 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.118 1.283 -3.677 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.276 1.698 -4.963 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.847 1.460 -3.294 1.00 0.00 H new ATOM 1050 N VAL A 77 8.427 3.575 -1.308 1.00 0.00 N ATOM 1051 CA VAL A 77 8.202 3.811 0.109 1.00 0.00 C ATOM 1052 C VAL A 77 7.827 5.278 0.324 1.00 0.00 C ATOM 1053 O VAL A 77 6.769 5.578 0.876 1.00 0.00 O ATOM 1054 CB VAL A 77 9.433 3.384 0.912 1.00 0.00 C ATOM 1055 CG1 VAL A 77 9.259 3.712 2.396 1.00 0.00 C ATOM 1056 CG2 VAL A 77 9.731 1.897 0.710 1.00 0.00 C ATOM 0 H VAL A 77 9.400 3.407 -1.563 1.00 0.00 H new ATOM 0 HA VAL A 77 7.369 3.207 0.470 1.00 0.00 H new ATOM 0 HB VAL A 77 10.288 3.950 0.542 1.00 0.00 H new ATOM 0 HG11 VAL A 77 10.147 3.399 2.944 1.00 0.00 H new ATOM 0 HG12 VAL A 77 9.118 4.786 2.517 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.388 3.185 2.785 1.00 0.00 H new ATOM 0 HG21 VAL A 77 10.610 1.620 1.292 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.876 1.307 1.040 1.00 0.00 H new ATOM 0 HG23 VAL A 77 9.919 1.704 -0.346 1.00 0.00 H new ATOM 1066 N LYS A 78 8.714 6.155 -0.124 1.00 0.00 N ATOM 1067 CA LYS A 78 8.489 7.584 0.013 1.00 0.00 C ATOM 1068 C LYS A 78 7.029 7.900 -0.318 1.00 0.00 C ATOM 1069 O LYS A 78 6.448 8.827 0.244 1.00 0.00 O ATOM 1070 CB LYS A 78 9.495 8.368 -0.832 1.00 0.00 C ATOM 1071 CG LYS A 78 10.205 9.432 0.007 1.00 0.00 C ATOM 1072 CD LYS A 78 10.683 10.592 -0.868 1.00 0.00 C ATOM 1073 CE LYS A 78 11.965 11.211 -0.307 1.00 0.00 C ATOM 1074 NZ LYS A 78 12.672 11.980 -1.355 1.00 0.00 N ATOM 0 H LYS A 78 9.590 5.903 -0.582 1.00 0.00 H new ATOM 0 HA LYS A 78 8.658 7.900 1.043 1.00 0.00 H new ATOM 0 HB2 LYS A 78 10.230 7.684 -1.256 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.981 8.842 -1.668 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.528 9.806 0.775 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.056 8.986 0.522 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.861 10.237 -1.883 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.904 11.352 -0.928 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.723 11.865 0.531 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.616 10.426 0.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.539 12.393 -0.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.920 11.347 -2.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.055 12.741 -1.703 1.00 0.00 H new ATOM 1088 N VAL A 79 6.478 7.111 -1.229 1.00 0.00 N ATOM 1089 CA VAL A 79 5.097 7.295 -1.641 1.00 0.00 C ATOM 1090 C VAL A 79 4.175 6.570 -0.659 1.00 0.00 C ATOM 1091 O VAL A 79 3.162 7.120 -0.231 1.00 0.00 O ATOM 1092 CB VAL A 79 4.916 6.829 -3.087 1.00 0.00 C ATOM 1093 CG1 VAL A 79 3.519 7.176 -3.604 1.00 0.00 C ATOM 1094 CG2 VAL A 79 5.999 7.419 -3.993 1.00 0.00 C ATOM 0 H VAL A 79 6.963 6.343 -1.693 1.00 0.00 H new ATOM 0 HA VAL A 79 4.829 8.351 -1.618 1.00 0.00 H new ATOM 0 HB VAL A 79 5.019 5.744 -3.105 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.417 6.834 -4.634 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.769 6.686 -2.983 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.374 8.256 -3.564 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.847 7.072 -5.015 1.00 0.00 H new ATOM 0 HG22 VAL A 79 5.942 8.507 -3.967 1.00 0.00 H new ATOM 0 HG23 VAL A 79 6.980 7.099 -3.643 1.00 0.00 H new ATOM 1104 N LEU A 80 4.559 5.345 -0.331 1.00 0.00 N ATOM 1105 CA LEU A 80 3.780 4.538 0.593 1.00 0.00 C ATOM 1106 C LEU A 80 3.717 5.242 1.950 1.00 0.00 C ATOM 1107 O LEU A 80 2.876 4.914 2.785 1.00 0.00 O ATOM 1108 CB LEU A 80 4.337 3.115 0.663 1.00 0.00 C ATOM 1109 CG LEU A 80 4.051 2.223 -0.546 1.00 0.00 C ATOM 1110 CD1 LEU A 80 5.115 1.132 -0.686 1.00 0.00 C ATOM 1111 CD2 LEU A 80 2.638 1.640 -0.476 1.00 0.00 C ATOM 0 H LEU A 80 5.400 4.892 -0.689 1.00 0.00 H new ATOM 0 HA LEU A 80 2.754 4.436 0.239 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.417 3.175 0.798 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.931 2.631 1.551 1.00 0.00 H new ATOM 0 HG LEU A 80 4.101 2.839 -1.444 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.888 0.512 -1.553 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.094 1.593 -0.816 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.122 0.513 0.211 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.461 1.010 -1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.535 1.043 0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.910 2.451 -0.461 1.00 0.00 H new ATOM 1123 N THR A 81 4.619 6.197 2.128 1.00 0.00 N ATOM 1124 CA THR A 81 4.676 6.949 3.370 1.00 0.00 C ATOM 1125 C THR A 81 4.209 8.388 3.143 1.00 0.00 C ATOM 1126 O THR A 81 4.278 9.217 4.049 1.00 0.00 O ATOM 1127 CB THR A 81 6.102 6.852 3.915 1.00 0.00 C ATOM 1128 OG1 THR A 81 6.073 7.635 5.106 1.00 0.00 O ATOM 1129 CG2 THR A 81 7.120 7.568 3.024 1.00 0.00 C ATOM 0 H THR A 81 5.315 6.467 1.433 1.00 0.00 H new ATOM 0 HA THR A 81 3.998 6.534 4.116 1.00 0.00 H new ATOM 0 HB THR A 81 6.381 5.803 4.015 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.422 8.360 5.005 1.00 0.00 H new ATOM 0 HG21 THR A 81 8.116 7.468 3.456 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.110 7.122 2.029 1.00 0.00 H new ATOM 0 HG23 THR A 81 6.860 8.624 2.951 1.00 0.00 H new ATOM 1137 N SER A 82 3.743 8.641 1.929 1.00 0.00 N ATOM 1138 CA SER A 82 3.265 9.966 1.572 1.00 0.00 C ATOM 1139 C SER A 82 1.875 9.867 0.938 1.00 0.00 C ATOM 1140 O SER A 82 1.748 9.836 -0.285 1.00 0.00 O ATOM 1141 CB SER A 82 4.235 10.663 0.616 1.00 0.00 C ATOM 1142 OG SER A 82 3.829 11.997 0.322 1.00 0.00 O ATOM 0 H SER A 82 3.686 7.951 1.180 1.00 0.00 H new ATOM 0 HA SER A 82 3.202 10.563 2.482 1.00 0.00 H new ATOM 0 HB2 SER A 82 5.232 10.676 1.057 1.00 0.00 H new ATOM 0 HB3 SER A 82 4.304 10.093 -0.310 1.00 0.00 H new ATOM 0 HG SER A 82 4.475 12.408 -0.290 1.00 0.00 H new ATOM 1148 N SER A 83 0.869 9.820 1.799 1.00 0.00 N ATOM 1149 CA SER A 83 -0.506 9.725 1.339 1.00 0.00 C ATOM 1150 C SER A 83 -1.393 9.169 2.454 1.00 0.00 C ATOM 1151 O SER A 83 -0.900 8.547 3.393 1.00 0.00 O ATOM 1152 CB SER A 83 -0.609 8.848 0.090 1.00 0.00 C ATOM 1153 OG SER A 83 -0.565 9.618 -1.109 1.00 0.00 O ATOM 0 H SER A 83 0.979 9.846 2.813 1.00 0.00 H new ATOM 0 HA SER A 83 -0.849 10.726 1.076 1.00 0.00 H new ATOM 0 HB2 SER A 83 0.207 8.125 0.087 1.00 0.00 H new ATOM 0 HB3 SER A 83 -1.539 8.280 0.122 1.00 0.00 H new ATOM 0 HG SER A 83 0.363 9.864 -1.306 1.00 0.00 H new ATOM 1159 N SER A 84 -2.688 9.411 2.312 1.00 0.00 N ATOM 1160 CA SER A 84 -3.649 8.942 3.296 1.00 0.00 C ATOM 1161 C SER A 84 -4.531 7.851 2.686 1.00 0.00 C ATOM 1162 O SER A 84 -5.416 7.317 3.354 1.00 0.00 O ATOM 1163 CB SER A 84 -4.513 10.093 3.815 1.00 0.00 C ATOM 1164 OG SER A 84 -5.347 9.689 4.898 1.00 0.00 O ATOM 0 H SER A 84 -3.094 9.926 1.531 1.00 0.00 H new ATOM 0 HA SER A 84 -3.099 8.527 4.141 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.870 10.912 4.139 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.132 10.476 3.004 1.00 0.00 H new ATOM 0 HG SER A 84 -5.677 8.781 4.735 1.00 0.00 H new ATOM 1170 N ARG A 85 -4.260 7.551 1.424 1.00 0.00 N ATOM 1171 CA ARG A 85 -5.018 6.533 0.717 1.00 0.00 C ATOM 1172 C ARG A 85 -4.209 5.994 -0.465 1.00 0.00 C ATOM 1173 O ARG A 85 -4.282 6.533 -1.569 1.00 0.00 O ATOM 1174 CB ARG A 85 -6.347 7.092 0.204 1.00 0.00 C ATOM 1175 CG ARG A 85 -7.529 6.300 0.767 1.00 0.00 C ATOM 1176 CD ARG A 85 -8.854 7.000 0.459 1.00 0.00 C ATOM 1177 NE ARG A 85 -9.960 6.327 1.176 1.00 0.00 N ATOM 1178 CZ ARG A 85 -10.116 6.348 2.506 1.00 0.00 C ATOM 1179 NH1 ARG A 85 -9.238 7.009 3.273 1.00 0.00 N ATOM 1180 NH2 ARG A 85 -11.150 5.709 3.070 1.00 0.00 N ATOM 0 H ARG A 85 -3.526 7.995 0.873 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.224 5.725 1.420 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -6.439 8.140 0.488 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.365 7.054 -0.885 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -7.536 5.297 0.340 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -7.415 6.187 1.845 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.800 8.047 0.758 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -9.042 6.984 -0.614 1.00 0.00 H new ATOM 0 HE ARG A 85 -10.647 5.815 0.622 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -8.451 7.496 2.844 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -9.357 7.025 4.286 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -11.819 5.206 2.486 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -11.268 5.725 4.083 1.00 0.00 H new ATOM 1194 N LEU A 86 -3.457 4.938 -0.194 1.00 0.00 N ATOM 1195 CA LEU A 86 -2.635 4.321 -1.221 1.00 0.00 C ATOM 1196 C LEU A 86 -3.488 3.340 -2.028 1.00 0.00 C ATOM 1197 O LEU A 86 -4.392 2.706 -1.487 1.00 0.00 O ATOM 1198 CB LEU A 86 -1.389 3.686 -0.601 1.00 0.00 C ATOM 1199 CG LEU A 86 -0.443 4.641 0.130 1.00 0.00 C ATOM 1200 CD1 LEU A 86 0.204 3.957 1.336 1.00 0.00 C ATOM 1201 CD2 LEU A 86 0.600 5.219 -0.829 1.00 0.00 C ATOM 0 H LEU A 86 -3.400 4.494 0.722 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.267 5.074 -1.918 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.709 2.915 0.100 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.829 3.185 -1.391 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.029 5.477 0.511 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.871 4.658 1.837 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.572 3.634 2.031 1.00 0.00 H new ATOM 0 HD13 LEU A 86 0.774 3.090 1.000 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.260 5.895 -0.285 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.187 4.408 -1.260 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.097 5.767 -1.626 1.00 0.00 H new ATOM 1213 N HIS A 87 -3.170 3.246 -3.311 1.00 0.00 N ATOM 1214 CA HIS A 87 -3.895 2.353 -4.199 1.00 0.00 C ATOM 1215 C HIS A 87 -2.906 1.451 -4.940 1.00 0.00 C ATOM 1216 O HIS A 87 -2.441 1.794 -6.026 1.00 0.00 O ATOM 1217 CB HIS A 87 -4.799 3.145 -5.145 1.00 0.00 C ATOM 1218 CG HIS A 87 -6.265 2.803 -5.023 1.00 0.00 C ATOM 1219 ND1 HIS A 87 -7.252 3.767 -4.912 1.00 0.00 N ATOM 1220 CD2 HIS A 87 -6.900 1.596 -4.997 1.00 0.00 C ATOM 1221 CE1 HIS A 87 -8.425 3.156 -4.822 1.00 0.00 C ATOM 1222 NE2 HIS A 87 -8.204 1.811 -4.874 1.00 0.00 N ATOM 0 H HIS A 87 -2.420 3.774 -3.757 1.00 0.00 H new ATOM 0 HA HIS A 87 -4.553 1.709 -3.615 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -4.667 4.209 -4.951 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -4.479 2.966 -6.172 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -6.423 0.630 -5.065 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -9.386 3.638 -4.725 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -8.923 1.089 -4.826 1.00 0.00 H new ATOM 1230 N MET A 88 -2.614 0.315 -4.323 1.00 0.00 N ATOM 1231 CA MET A 88 -1.688 -0.639 -4.910 1.00 0.00 C ATOM 1232 C MET A 88 -2.431 -1.669 -5.764 1.00 0.00 C ATOM 1233 O MET A 88 -3.594 -1.972 -5.504 1.00 0.00 O ATOM 1234 CB MET A 88 -0.920 -1.356 -3.799 1.00 0.00 C ATOM 1235 CG MET A 88 -0.489 -0.373 -2.708 1.00 0.00 C ATOM 1236 SD MET A 88 -1.526 -0.567 -1.268 1.00 0.00 S ATOM 1237 CE MET A 88 -0.447 -1.550 -0.240 1.00 0.00 C ATOM 0 H MET A 88 -3.002 0.034 -3.423 1.00 0.00 H new ATOM 0 HA MET A 88 -0.994 -0.096 -5.551 1.00 0.00 H new ATOM 0 HB2 MET A 88 -1.545 -2.136 -3.364 1.00 0.00 H new ATOM 0 HB3 MET A 88 -0.042 -1.848 -4.218 1.00 0.00 H new ATOM 0 HG2 MET A 88 0.554 -0.547 -2.442 1.00 0.00 H new ATOM 0 HG3 MET A 88 -0.557 0.649 -3.080 1.00 0.00 H new ATOM 0 HE1 MET A 88 -0.906 -2.521 -0.054 1.00 0.00 H new ATOM 0 HE2 MET A 88 0.508 -1.691 -0.746 1.00 0.00 H new ATOM 0 HE3 MET A 88 -0.283 -1.039 0.709 1.00 0.00 H new ATOM 1247 N MET A 89 -1.728 -2.177 -6.765 1.00 0.00 N ATOM 1248 CA MET A 89 -2.306 -3.167 -7.659 1.00 0.00 C ATOM 1249 C MET A 89 -1.438 -4.425 -7.719 1.00 0.00 C ATOM 1250 O MET A 89 -0.324 -4.391 -8.240 1.00 0.00 O ATOM 1251 CB MET A 89 -2.441 -2.571 -9.062 1.00 0.00 C ATOM 1252 CG MET A 89 -3.065 -1.175 -9.007 1.00 0.00 C ATOM 1253 SD MET A 89 -4.509 -1.111 -10.053 1.00 0.00 S ATOM 1254 CE MET A 89 -5.528 -2.339 -9.251 1.00 0.00 C ATOM 0 H MET A 89 -0.763 -1.922 -6.977 1.00 0.00 H new ATOM 0 HA MET A 89 -3.288 -3.445 -7.277 1.00 0.00 H new ATOM 0 HB2 MET A 89 -1.460 -2.516 -9.534 1.00 0.00 H new ATOM 0 HB3 MET A 89 -3.056 -3.224 -9.681 1.00 0.00 H new ATOM 0 HG2 MET A 89 -3.338 -0.930 -7.981 1.00 0.00 H new ATOM 0 HG3 MET A 89 -2.338 -0.430 -9.330 1.00 0.00 H new ATOM 0 HE1 MET A 89 -6.260 -2.725 -9.961 1.00 0.00 H new ATOM 0 HE2 MET A 89 -4.901 -3.157 -8.896 1.00 0.00 H new ATOM 0 HE3 MET A 89 -6.046 -1.886 -8.406 1.00 0.00 H new ATOM 1264 N VAL A 90 -1.981 -5.506 -7.179 1.00 0.00 N ATOM 1265 CA VAL A 90 -1.270 -6.773 -7.164 1.00 0.00 C ATOM 1266 C VAL A 90 -1.841 -7.686 -8.251 1.00 0.00 C ATOM 1267 O VAL A 90 -2.998 -7.541 -8.644 1.00 0.00 O ATOM 1268 CB VAL A 90 -1.334 -7.394 -5.767 1.00 0.00 C ATOM 1269 CG1 VAL A 90 -0.675 -6.481 -4.731 1.00 0.00 C ATOM 1270 CG2 VAL A 90 -2.778 -7.714 -5.376 1.00 0.00 C ATOM 0 H VAL A 90 -2.905 -5.531 -6.748 1.00 0.00 H new ATOM 0 HA VAL A 90 -0.214 -6.621 -7.388 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.777 -8.331 -5.790 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.734 -6.946 -3.747 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.371 -6.325 -4.996 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.191 -5.521 -4.711 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.796 -8.154 -4.379 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.367 -6.797 -5.378 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.201 -8.419 -6.092 1.00 0.00 H new ATOM 1280 N ARG A 91 -1.004 -8.607 -8.705 1.00 0.00 N ATOM 1281 CA ARG A 91 -1.412 -9.544 -9.739 1.00 0.00 C ATOM 1282 C ARG A 91 -1.543 -10.953 -9.157 1.00 0.00 C ATOM 1283 O ARG A 91 -0.926 -11.269 -8.141 1.00 0.00 O ATOM 1284 CB ARG A 91 -0.403 -9.567 -10.890 1.00 0.00 C ATOM 1285 CG ARG A 91 1.032 -9.597 -10.360 1.00 0.00 C ATOM 1286 CD ARG A 91 2.035 -9.750 -11.505 1.00 0.00 C ATOM 1287 NE ARG A 91 2.524 -8.419 -11.931 1.00 0.00 N ATOM 1288 CZ ARG A 91 1.914 -7.652 -12.845 1.00 0.00 C ATOM 1289 NH1 ARG A 91 0.789 -8.079 -13.435 1.00 0.00 N ATOM 1290 NH2 ARG A 91 2.429 -6.458 -13.169 1.00 0.00 N ATOM 0 H ARG A 91 -0.046 -8.725 -8.376 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.377 -9.215 -10.123 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -0.581 -10.440 -11.517 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -0.544 -8.688 -11.520 1.00 0.00 H new ATOM 0 HG2 ARG A 91 1.240 -8.679 -9.810 1.00 0.00 H new ATOM 0 HG3 ARG A 91 1.147 -10.423 -9.658 1.00 0.00 H new ATOM 0 HD2 ARG A 91 2.873 -10.369 -11.185 1.00 0.00 H new ATOM 0 HD3 ARG A 91 1.565 -10.260 -12.346 1.00 0.00 H new ATOM 0 HE ARG A 91 3.378 -8.064 -11.502 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.397 -8.988 -13.188 1.00 0.00 H new ATOM 0 HH12 ARG A 91 0.325 -7.495 -14.131 1.00 0.00 H new ATOM 0 HH21 ARG A 91 3.285 -6.133 -12.720 1.00 0.00 H new ATOM 0 HH22 ARG A 91 1.965 -5.874 -13.865 1.00 0.00 H new ATOM 1304 N ARG A 92 -2.352 -11.761 -9.825 1.00 0.00 N ATOM 1305 CA ARG A 92 -2.573 -13.129 -9.387 1.00 0.00 C ATOM 1306 C ARG A 92 -2.701 -14.059 -10.595 1.00 0.00 C ATOM 1307 O ARG A 92 -3.167 -13.646 -11.655 1.00 0.00 O ATOM 1308 CB ARG A 92 -3.838 -13.236 -8.533 1.00 0.00 C ATOM 1309 CG ARG A 92 -3.811 -14.500 -7.670 1.00 0.00 C ATOM 1310 CD ARG A 92 -3.632 -14.150 -6.191 1.00 0.00 C ATOM 1311 NE ARG A 92 -2.744 -15.139 -5.541 1.00 0.00 N ATOM 1312 CZ ARG A 92 -1.406 -15.103 -5.605 1.00 0.00 C ATOM 1313 NH1 ARG A 92 -0.794 -14.127 -6.289 1.00 0.00 N ATOM 1314 NH2 ARG A 92 -0.680 -16.042 -4.983 1.00 0.00 N ATOM 0 H ARG A 92 -2.863 -11.495 -10.667 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.715 -13.427 -8.784 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -3.926 -12.357 -7.894 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -4.717 -13.250 -9.178 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -4.738 -15.057 -7.806 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -2.998 -15.149 -7.995 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -3.209 -13.150 -6.094 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.601 -14.136 -5.692 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.177 -15.895 -5.011 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -1.347 -13.411 -6.761 1.00 0.00 H new ATOM 0 HH12 ARG A 92 0.224 -14.100 -6.338 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -1.146 -16.784 -4.461 1.00 0.00 H new ATOM 0 HH22 ARG A 92 0.338 -16.015 -5.032 1.00 0.00 H new ATOM 1328 N MET A 93 -2.278 -15.299 -10.394 1.00 0.00 N ATOM 1329 CA MET A 93 -2.339 -16.291 -11.453 1.00 0.00 C ATOM 1330 C MET A 93 -2.851 -17.631 -10.921 1.00 0.00 C ATOM 1331 O MET A 93 -2.799 -17.886 -9.719 1.00 0.00 O ATOM 1332 CB MET A 93 -0.946 -16.481 -12.057 1.00 0.00 C ATOM 1333 CG MET A 93 -0.570 -15.298 -12.951 1.00 0.00 C ATOM 1334 SD MET A 93 0.001 -15.888 -14.536 1.00 0.00 S ATOM 1335 CE MET A 93 -1.564 -16.258 -15.311 1.00 0.00 C ATOM 0 H MET A 93 -1.892 -15.639 -9.513 1.00 0.00 H new ATOM 0 HA MET A 93 -3.031 -15.936 -12.217 1.00 0.00 H new ATOM 0 HB2 MET A 93 -0.211 -16.586 -11.259 1.00 0.00 H new ATOM 0 HB3 MET A 93 -0.920 -17.403 -12.638 1.00 0.00 H new ATOM 0 HG2 MET A 93 -1.432 -14.645 -13.086 1.00 0.00 H new ATOM 0 HG3 MET A 93 0.209 -14.703 -12.473 1.00 0.00 H new ATOM 0 HE1 MET A 93 -1.390 -16.641 -16.317 1.00 0.00 H new ATOM 0 HE2 MET A 93 -2.093 -17.009 -14.723 1.00 0.00 H new ATOM 0 HE3 MET A 93 -2.166 -15.351 -15.367 1.00 0.00 H new ATOM 1345 N GLY A 94 -3.335 -18.452 -11.842 1.00 0.00 N ATOM 1346 CA GLY A 94 -3.856 -19.759 -11.480 1.00 0.00 C ATOM 1347 C GLY A 94 -2.733 -20.795 -11.404 1.00 0.00 C ATOM 1348 O GLY A 94 -2.635 -21.674 -12.259 1.00 0.00 O ATOM 0 H GLY A 94 -3.377 -18.237 -12.838 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -4.365 -19.698 -10.518 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -4.598 -20.075 -12.214 1.00 0.00 H new ATOM 1352 N SER A 95 -1.913 -20.658 -10.372 1.00 0.00 N ATOM 1353 CA SER A 95 -0.801 -21.572 -10.173 1.00 0.00 C ATOM 1354 C SER A 95 -0.385 -21.577 -8.700 1.00 0.00 C ATOM 1355 O SER A 95 -0.245 -20.519 -8.087 1.00 0.00 O ATOM 1356 CB SER A 95 0.387 -21.193 -11.059 1.00 0.00 C ATOM 1357 OG SER A 95 0.497 -22.044 -12.196 1.00 0.00 O ATOM 0 H SER A 95 -1.997 -19.928 -9.665 1.00 0.00 H new ATOM 0 HA SER A 95 -1.126 -22.574 -10.455 1.00 0.00 H new ATOM 0 HB2 SER A 95 0.278 -20.160 -11.389 1.00 0.00 H new ATOM 0 HB3 SER A 95 1.306 -21.247 -10.476 1.00 0.00 H new ATOM 0 HG SER A 95 -0.392 -22.191 -12.581 1.00 0.00 H new ATOM 1363 N GLY A 96 -0.199 -22.779 -8.175 1.00 0.00 N ATOM 1364 CA GLY A 96 0.198 -22.936 -6.786 1.00 0.00 C ATOM 1365 C GLY A 96 -0.971 -22.638 -5.845 1.00 0.00 C ATOM 1366 O GLY A 96 -1.263 -21.478 -5.560 1.00 0.00 O ATOM 0 H GLY A 96 -0.316 -23.654 -8.687 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.554 -23.952 -6.619 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.029 -22.266 -6.563 1.00 0.00 H new ATOM 1370 N PRO A 97 -1.625 -23.735 -5.376 1.00 0.00 N ATOM 1371 CA PRO A 97 -2.755 -23.603 -4.473 1.00 0.00 C ATOM 1372 C PRO A 97 -2.290 -23.234 -3.062 1.00 0.00 C ATOM 1373 O PRO A 97 -2.493 -23.997 -2.119 1.00 0.00 O ATOM 1374 CB PRO A 97 -3.465 -24.945 -4.532 1.00 0.00 C ATOM 1375 CG PRO A 97 -2.453 -25.927 -5.101 1.00 0.00 C ATOM 1376 CD PRO A 97 -1.306 -25.124 -5.692 1.00 0.00 C ATOM 0 HA PRO A 97 -3.430 -22.797 -4.760 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -3.796 -25.256 -3.541 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -4.353 -24.890 -5.162 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -2.089 -26.595 -4.321 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -2.915 -26.552 -5.865 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -0.351 -25.420 -5.258 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -1.228 -25.278 -6.768 1.00 0.00 H new ATOM 1384 N SER A 98 -1.675 -22.065 -2.963 1.00 0.00 N ATOM 1385 CA SER A 98 -1.179 -21.586 -1.684 1.00 0.00 C ATOM 1386 C SER A 98 -0.054 -22.495 -1.186 1.00 0.00 C ATOM 1387 O SER A 98 -0.237 -23.705 -1.062 1.00 0.00 O ATOM 1388 CB SER A 98 -2.303 -21.517 -0.649 1.00 0.00 C ATOM 1389 OG SER A 98 -1.856 -20.972 0.590 1.00 0.00 O ATOM 0 H SER A 98 -1.509 -21.435 -3.748 1.00 0.00 H new ATOM 0 HA SER A 98 -0.788 -20.578 -1.824 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.118 -20.908 -1.040 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.704 -22.517 -0.482 1.00 0.00 H new ATOM 0 HG SER A 98 -2.603 -20.943 1.223 1.00 0.00 H new ATOM 1395 N SER A 99 1.086 -21.876 -0.913 1.00 0.00 N ATOM 1396 CA SER A 99 2.241 -22.614 -0.431 1.00 0.00 C ATOM 1397 C SER A 99 2.702 -23.616 -1.491 1.00 0.00 C ATOM 1398 O SER A 99 1.890 -24.127 -2.262 1.00 0.00 O ATOM 1399 CB SER A 99 1.925 -23.337 0.880 1.00 0.00 C ATOM 1400 OG SER A 99 2.559 -22.718 1.997 1.00 0.00 O ATOM 0 H SER A 99 1.234 -20.872 -1.017 1.00 0.00 H new ATOM 0 HA SER A 99 3.044 -21.903 -0.238 1.00 0.00 H new ATOM 0 HB2 SER A 99 0.846 -23.350 1.036 1.00 0.00 H new ATOM 0 HB3 SER A 99 2.249 -24.375 0.809 1.00 0.00 H new ATOM 0 HG SER A 99 2.332 -23.208 2.815 1.00 0.00 H new ATOM 1406 N GLY A 100 4.002 -23.868 -1.496 1.00 0.00 N ATOM 1407 CA GLY A 100 4.581 -24.800 -2.449 1.00 0.00 C ATOM 1408 C GLY A 100 5.692 -25.628 -1.801 1.00 0.00 C ATOM 1409 O GLY A 100 5.958 -25.492 -0.608 1.00 0.00 O ATOM 0 H GLY A 100 4.672 -23.443 -0.855 1.00 0.00 H new ATOM 0 HA2 GLY A 100 3.805 -25.463 -2.832 1.00 0.00 H new ATOM 0 HA3 GLY A 100 4.981 -24.252 -3.302 1.00 0.00 H new TER 1413 GLY A 100