USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 815 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 103 ASN :FLIP amide:sc= 0.877 F(o=0.32,f=1.9) USER MOD Set 1.2: A 104 SER OG : rot -81:sc= 0.998 USER MOD Set 2.1: A 14 LYS NZ :NH3+ 134:sc= -1.47! (180deg=-4.92!) USER MOD Set 2.2: A 88 SER OG : rot 66:sc= -0.185 USER MOD Single : A 4 SER OG : rot 39:sc= 0.244 USER MOD Single : A 5 HIS : no HD1:sc= -0.0271 X(o=-0.027,f=-0.003) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot -50:sc= 0.315 USER MOD Single : A 22 CYS SG : rot 111:sc= 0.136 USER MOD Single : A 23 SER OG : rot -120:sc= 0.00752 USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot -148:sc= -5.45! USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.005 X(o=-0.005,f=-0.005) USER MOD Single : A 38 ASN : amide:sc= -0.0388 X(o=-0.039,f=-0.14) USER MOD Single : A 41 GLN : amide:sc= -0.0201 X(o=-0.02,f=-0.39) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.11 USER MOD Single : A 54 SER OG : rot 99:sc= 0.228 USER MOD Single : A 63 SER OG : rot 180:sc= -1.75! USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -103:sc= 0.927 (180deg=-0.901) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl 177:sc= -0.997 (180deg=-1.01) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -136:sc= 1.11 (180deg=-0.0622) USER MOD Single : A 89 ASN : amide:sc= -0.953! X(o=-0.95!,f=-0.84) USER MOD Single : A 90 ASN : amide:sc= -0.383 K(o=-0.38,f=-5.4!) USER MOD Single : A 93 MET CE :methyl 138:sc= -0.365 (180deg=-0.931) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0.428 (180deg=0.428) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 THR OG1 : rot 41:sc= 0.234 USER MOD Single : A 107 THR OG1 : rot 36:sc= 0.251 USER MOD Single : A 109 ASN :FLIP amide:sc= -0.392 F(o=-2!,f=-0.39) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 4 12.533 2.889 20.100 1.00 0.00 N ATOM 2 CA SER A 4 12.762 1.539 20.628 1.00 0.00 C ATOM 3 C SER A 4 12.167 0.524 19.642 1.00 0.00 C ATOM 4 O SER A 4 10.947 0.490 19.456 1.00 0.00 O ATOM 5 CB SER A 4 12.127 1.410 22.032 1.00 0.00 C ATOM 6 OG SER A 4 10.762 1.804 22.032 1.00 0.00 O ATOM 0 HA SER A 4 13.829 1.343 20.733 1.00 0.00 H new ATOM 0 HB2 SER A 4 12.207 0.378 22.374 1.00 0.00 H new ATOM 0 HB3 SER A 4 12.683 2.025 22.740 1.00 0.00 H new ATOM 0 HG SER A 4 10.331 1.490 21.210 1.00 0.00 H new ATOM 12 N HIS A 5 13.051 -0.261 18.995 1.00 0.00 N ATOM 13 CA HIS A 5 12.710 -1.133 17.854 1.00 0.00 C ATOM 14 C HIS A 5 12.173 -0.273 16.696 1.00 0.00 C ATOM 15 O HIS A 5 10.957 -0.138 16.499 1.00 0.00 O ATOM 16 CB HIS A 5 11.731 -2.285 18.233 1.00 0.00 C ATOM 17 CG HIS A 5 12.274 -3.244 19.267 1.00 0.00 C ATOM 18 ND1 HIS A 5 12.442 -4.597 19.048 1.00 0.00 N ATOM 19 CD2 HIS A 5 12.667 -3.032 20.549 1.00 0.00 C ATOM 20 CE1 HIS A 5 12.910 -5.169 20.143 1.00 0.00 C ATOM 21 NE2 HIS A 5 13.057 -4.242 21.067 1.00 0.00 N ATOM 0 H HIS A 5 14.036 -0.308 19.254 1.00 0.00 H new ATOM 0 HA HIS A 5 13.622 -1.635 17.531 1.00 0.00 H new ATOM 0 HB2 HIS A 5 10.804 -1.851 18.608 1.00 0.00 H new ATOM 0 HB3 HIS A 5 11.479 -2.844 17.332 1.00 0.00 H new ATOM 0 HD2 HIS A 5 12.672 -2.084 21.067 1.00 0.00 H new ATOM 0 HE1 HIS A 5 13.134 -6.219 20.261 1.00 0.00 H new ATOM 0 HE2 HIS A 5 13.404 -4.398 22.013 1.00 0.00 H new ATOM 30 N MET A 6 13.123 0.349 15.978 1.00 0.00 N ATOM 31 CA MET A 6 12.863 1.262 14.842 1.00 0.00 C ATOM 32 C MET A 6 12.163 0.540 13.670 1.00 0.00 C ATOM 33 O MET A 6 11.610 1.189 12.769 1.00 0.00 O ATOM 34 CB MET A 6 14.207 1.884 14.371 1.00 0.00 C ATOM 35 CG MET A 6 15.256 0.862 13.905 1.00 0.00 C ATOM 36 SD MET A 6 16.842 1.624 13.495 1.00 0.00 S ATOM 37 CE MET A 6 17.869 0.185 13.187 1.00 0.00 C ATOM 0 H MET A 6 14.117 0.231 16.172 1.00 0.00 H new ATOM 0 HA MET A 6 12.188 2.048 15.181 1.00 0.00 H new ATOM 0 HB2 MET A 6 14.005 2.576 13.554 1.00 0.00 H new ATOM 0 HB3 MET A 6 14.627 2.470 15.188 1.00 0.00 H new ATOM 0 HG2 MET A 6 15.407 0.120 14.689 1.00 0.00 H new ATOM 0 HG3 MET A 6 14.877 0.331 13.032 1.00 0.00 H new ATOM 0 HE1 MET A 6 18.876 0.507 12.923 1.00 0.00 H new ATOM 0 HE2 MET A 6 17.909 -0.432 14.084 1.00 0.00 H new ATOM 0 HE3 MET A 6 17.446 -0.395 12.366 1.00 0.00 H new ATOM 47 N GLY A 7 12.211 -0.802 13.699 1.00 0.00 N ATOM 48 CA GLY A 7 11.608 -1.644 12.679 1.00 0.00 C ATOM 49 C GLY A 7 12.679 -2.426 11.939 1.00 0.00 C ATOM 50 O GLY A 7 12.998 -3.556 12.323 1.00 0.00 O ATOM 0 H GLY A 7 12.675 -1.327 14.440 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.898 -2.332 13.139 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.046 -1.029 11.976 1.00 0.00 H new ATOM 54 N GLY A 8 13.268 -1.794 10.904 1.00 0.00 N ATOM 55 CA GLY A 8 14.298 -2.418 10.065 1.00 0.00 C ATOM 56 C GLY A 8 13.702 -3.410 9.066 1.00 0.00 C ATOM 57 O GLY A 8 13.717 -3.169 7.851 1.00 0.00 O ATOM 0 H GLY A 8 13.040 -0.838 10.631 1.00 0.00 H new ATOM 0 HA2 GLY A 8 14.843 -1.644 9.525 1.00 0.00 H new ATOM 0 HA3 GLY A 8 15.019 -2.932 10.700 1.00 0.00 H new ATOM 61 N GLU A 9 13.178 -4.530 9.610 1.00 0.00 N ATOM 62 CA GLU A 9 12.490 -5.583 8.845 1.00 0.00 C ATOM 63 C GLU A 9 11.239 -5.029 8.145 1.00 0.00 C ATOM 64 O GLU A 9 10.180 -4.918 8.763 1.00 0.00 O ATOM 65 CB GLU A 9 12.116 -6.759 9.795 1.00 0.00 C ATOM 66 CG GLU A 9 13.314 -7.473 10.445 1.00 0.00 C ATOM 67 CD GLU A 9 14.198 -8.222 9.429 1.00 0.00 C ATOM 68 OE1 GLU A 9 13.908 -9.400 9.131 1.00 0.00 O ATOM 69 OE2 GLU A 9 15.180 -7.636 8.920 1.00 0.00 O ATOM 0 H GLU A 9 13.224 -4.727 10.610 1.00 0.00 H new ATOM 0 HA GLU A 9 13.164 -5.951 8.071 1.00 0.00 H new ATOM 0 HB2 GLU A 9 11.467 -6.378 10.584 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.537 -7.491 9.232 1.00 0.00 H new ATOM 0 HG2 GLU A 9 13.922 -6.740 10.975 1.00 0.00 H new ATOM 0 HG3 GLU A 9 12.947 -8.180 11.189 1.00 0.00 H new ATOM 76 N GLY A 10 11.386 -4.639 6.868 1.00 0.00 N ATOM 77 CA GLY A 10 10.275 -4.095 6.100 1.00 0.00 C ATOM 78 C GLY A 10 10.704 -3.564 4.746 1.00 0.00 C ATOM 79 O GLY A 10 11.353 -2.522 4.660 1.00 0.00 O ATOM 0 H GLY A 10 12.265 -4.694 6.354 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.522 -4.870 5.960 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.805 -3.292 6.668 1.00 0.00 H new ATOM 83 N PHE A 11 10.367 -4.306 3.684 1.00 0.00 N ATOM 84 CA PHE A 11 10.495 -3.838 2.287 1.00 0.00 C ATOM 85 C PHE A 11 9.099 -3.408 1.773 1.00 0.00 C ATOM 86 O PHE A 11 8.829 -3.397 0.576 1.00 0.00 O ATOM 87 CB PHE A 11 11.101 -4.958 1.403 1.00 0.00 C ATOM 88 CG PHE A 11 12.484 -5.426 1.851 1.00 0.00 C ATOM 89 CD1 PHE A 11 13.603 -4.616 1.673 1.00 0.00 C ATOM 90 CD2 PHE A 11 12.664 -6.667 2.459 1.00 0.00 C ATOM 91 CE1 PHE A 11 14.854 -5.029 2.080 1.00 0.00 C ATOM 92 CE2 PHE A 11 13.916 -7.079 2.865 1.00 0.00 C ATOM 93 CZ PHE A 11 15.011 -6.258 2.679 1.00 0.00 C ATOM 0 H PHE A 11 9.996 -5.253 3.764 1.00 0.00 H new ATOM 0 HA PHE A 11 11.167 -2.981 2.239 1.00 0.00 H new ATOM 0 HB2 PHE A 11 10.423 -5.812 1.401 1.00 0.00 H new ATOM 0 HB3 PHE A 11 11.165 -4.600 0.375 1.00 0.00 H new ATOM 0 HD1 PHE A 11 13.489 -3.648 1.208 1.00 0.00 H new ATOM 0 HD2 PHE A 11 11.813 -7.314 2.614 1.00 0.00 H new ATOM 0 HE1 PHE A 11 15.710 -4.388 1.929 1.00 0.00 H new ATOM 0 HE2 PHE A 11 14.041 -8.046 3.330 1.00 0.00 H new ATOM 0 HZ PHE A 11 15.989 -6.580 3.003 1.00 0.00 H new ATOM 103 N VAL A 12 8.239 -2.997 2.717 1.00 0.00 N ATOM 104 CA VAL A 12 6.837 -2.656 2.487 1.00 0.00 C ATOM 105 C VAL A 12 6.646 -1.155 2.767 1.00 0.00 C ATOM 106 O VAL A 12 7.353 -0.583 3.600 1.00 0.00 O ATOM 107 CB VAL A 12 5.898 -3.503 3.445 1.00 0.00 C ATOM 108 CG1 VAL A 12 4.402 -3.352 3.073 1.00 0.00 C ATOM 109 CG2 VAL A 12 6.322 -4.994 3.482 1.00 0.00 C ATOM 0 H VAL A 12 8.515 -2.891 3.693 1.00 0.00 H new ATOM 0 HA VAL A 12 6.571 -2.884 1.455 1.00 0.00 H new ATOM 0 HB VAL A 12 6.021 -3.099 4.450 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.796 -3.949 3.754 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.112 -2.304 3.151 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.245 -3.697 2.051 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.658 -5.545 4.148 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.260 -5.415 2.478 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.346 -5.072 3.846 1.00 0.00 H new ATOM 119 N VAL A 13 5.766 -0.499 2.009 1.00 0.00 N ATOM 120 CA VAL A 13 5.194 0.819 2.374 1.00 0.00 C ATOM 121 C VAL A 13 3.691 0.675 2.653 1.00 0.00 C ATOM 122 O VAL A 13 3.120 -0.405 2.489 1.00 0.00 O ATOM 123 CB VAL A 13 5.432 1.900 1.247 1.00 0.00 C ATOM 124 CG1 VAL A 13 6.935 2.176 1.058 1.00 0.00 C ATOM 125 CG2 VAL A 13 4.767 1.488 -0.091 1.00 0.00 C ATOM 0 H VAL A 13 5.422 -0.860 1.119 1.00 0.00 H new ATOM 0 HA VAL A 13 5.705 1.164 3.273 1.00 0.00 H new ATOM 0 HB VAL A 13 4.957 2.825 1.574 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.072 2.924 0.277 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.357 2.546 1.992 1.00 0.00 H new ATOM 0 HG13 VAL A 13 7.441 1.254 0.771 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.953 2.256 -0.841 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.187 0.541 -0.430 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.693 1.376 0.056 1.00 0.00 H new ATOM 135 N LYS A 14 3.052 1.774 3.082 1.00 0.00 N ATOM 136 CA LYS A 14 1.596 1.837 3.237 1.00 0.00 C ATOM 137 C LYS A 14 1.081 3.057 2.482 1.00 0.00 C ATOM 138 O LYS A 14 1.726 4.116 2.477 1.00 0.00 O ATOM 139 CB LYS A 14 1.113 1.880 4.717 1.00 0.00 C ATOM 140 CG LYS A 14 1.443 3.164 5.503 1.00 0.00 C ATOM 141 CD LYS A 14 0.662 3.265 6.832 1.00 0.00 C ATOM 142 CE LYS A 14 0.926 2.087 7.782 1.00 0.00 C ATOM 143 NZ LYS A 14 2.365 1.949 8.104 1.00 0.00 N ATOM 0 H LYS A 14 3.531 2.640 3.330 1.00 0.00 H new ATOM 0 HA LYS A 14 1.189 0.913 2.826 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.032 1.739 4.729 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.551 1.033 5.245 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.512 3.193 5.711 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.215 4.032 4.885 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.931 4.195 7.334 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.405 3.316 6.616 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.360 2.229 8.703 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.566 1.165 7.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.480 1.808 9.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.758 1.131 7.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 2.870 2.811 7.815 1.00 0.00 H new ATOM 157 N VAL A 15 -0.060 2.887 1.823 1.00 0.00 N ATOM 158 CA VAL A 15 -0.642 3.897 0.947 1.00 0.00 C ATOM 159 C VAL A 15 -1.952 4.391 1.567 1.00 0.00 C ATOM 160 O VAL A 15 -2.908 3.636 1.653 1.00 0.00 O ATOM 161 CB VAL A 15 -0.909 3.293 -0.477 1.00 0.00 C ATOM 162 CG1 VAL A 15 -1.117 4.397 -1.528 1.00 0.00 C ATOM 163 CG2 VAL A 15 0.212 2.323 -0.884 1.00 0.00 C ATOM 0 H VAL A 15 -0.614 2.033 1.883 1.00 0.00 H new ATOM 0 HA VAL A 15 0.051 4.732 0.838 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.836 2.721 -0.428 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.299 3.943 -2.502 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.974 5.010 -1.247 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.226 5.022 -1.580 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.002 1.919 -1.874 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.164 2.854 -0.903 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.266 1.507 -0.163 1.00 0.00 H new ATOM 173 N ARG A 16 -1.974 5.659 1.969 1.00 0.00 N ATOM 174 CA ARG A 16 -3.133 6.294 2.617 1.00 0.00 C ATOM 175 C ARG A 16 -3.693 7.344 1.655 1.00 0.00 C ATOM 176 O ARG A 16 -2.939 7.931 0.897 1.00 0.00 O ATOM 177 CB ARG A 16 -2.723 6.936 3.975 1.00 0.00 C ATOM 178 CG ARG A 16 -3.892 7.621 4.727 1.00 0.00 C ATOM 179 CD ARG A 16 -3.591 7.934 6.199 1.00 0.00 C ATOM 180 NE ARG A 16 -2.612 9.019 6.374 1.00 0.00 N ATOM 181 CZ ARG A 16 -2.135 9.430 7.555 1.00 0.00 C ATOM 182 NH1 ARG A 16 -2.432 8.781 8.686 1.00 0.00 N ATOM 183 NH2 ARG A 16 -1.348 10.496 7.594 1.00 0.00 N ATOM 0 H ARG A 16 -1.180 6.288 1.855 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.898 5.549 2.837 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.295 6.165 4.615 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.939 7.672 3.795 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.146 8.548 4.214 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.770 6.977 4.676 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.519 8.206 6.703 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.216 7.034 6.686 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.273 9.491 5.536 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.032 7.957 8.658 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.058 9.110 9.576 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.115 10.989 6.732 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.976 10.823 8.486 1.00 0.00 H new ATOM 197 N GLY A 17 -5.013 7.557 1.671 1.00 0.00 N ATOM 198 CA GLY A 17 -5.655 8.533 0.778 1.00 0.00 C ATOM 199 C GLY A 17 -6.086 7.917 -0.534 1.00 0.00 C ATOM 200 O GLY A 17 -6.135 8.580 -1.567 1.00 0.00 O ATOM 0 H GLY A 17 -5.659 7.068 2.291 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.524 8.962 1.278 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.963 9.352 0.582 1.00 0.00 H new ATOM 204 N LEU A 18 -6.361 6.617 -0.482 1.00 0.00 N ATOM 205 CA LEU A 18 -6.934 5.863 -1.596 1.00 0.00 C ATOM 206 C LEU A 18 -8.463 6.019 -1.582 1.00 0.00 C ATOM 207 O LEU A 18 -9.052 6.166 -0.498 1.00 0.00 O ATOM 208 CB LEU A 18 -6.541 4.363 -1.476 1.00 0.00 C ATOM 209 CG LEU A 18 -5.016 4.061 -1.553 1.00 0.00 C ATOM 210 CD1 LEU A 18 -4.725 2.566 -1.306 1.00 0.00 C ATOM 211 CD2 LEU A 18 -4.430 4.542 -2.900 1.00 0.00 C ATOM 0 H LEU A 18 -6.190 6.048 0.347 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.545 6.249 -2.538 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.922 3.980 -0.529 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.044 3.809 -2.269 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.521 4.618 -0.758 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.651 2.389 -1.367 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.084 2.284 -0.316 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.234 1.967 -2.061 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.363 4.321 -2.932 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.932 4.028 -3.720 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.581 5.617 -2.999 1.00 0.00 H new ATOM 223 N PRO A 19 -9.132 6.046 -2.781 1.00 0.00 N ATOM 224 CA PRO A 19 -10.593 5.871 -2.873 1.00 0.00 C ATOM 225 C PRO A 19 -11.072 4.600 -2.120 1.00 0.00 C ATOM 226 O PRO A 19 -10.338 3.607 -2.024 1.00 0.00 O ATOM 227 CB PRO A 19 -10.877 5.773 -4.400 1.00 0.00 C ATOM 228 CG PRO A 19 -9.537 5.787 -5.095 1.00 0.00 C ATOM 229 CD PRO A 19 -8.527 6.334 -4.111 1.00 0.00 C ATOM 0 HA PRO A 19 -11.133 6.694 -2.405 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -11.424 4.860 -4.634 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.494 6.608 -4.733 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.259 4.782 -5.413 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -9.575 6.406 -5.991 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.557 5.849 -4.222 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.367 7.403 -4.255 1.00 0.00 H new ATOM 237 N TRP A 20 -12.308 4.651 -1.601 1.00 0.00 N ATOM 238 CA TRP A 20 -12.921 3.537 -0.836 1.00 0.00 C ATOM 239 C TRP A 20 -13.022 2.239 -1.681 1.00 0.00 C ATOM 240 O TRP A 20 -13.028 1.130 -1.140 1.00 0.00 O ATOM 241 CB TRP A 20 -14.320 3.966 -0.313 1.00 0.00 C ATOM 242 CG TRP A 20 -15.329 4.305 -1.398 1.00 0.00 C ATOM 243 CD1 TRP A 20 -15.466 5.496 -2.051 1.00 0.00 C ATOM 244 CD2 TRP A 20 -16.337 3.441 -1.941 1.00 0.00 C ATOM 245 NE1 TRP A 20 -16.471 5.417 -2.975 1.00 0.00 N ATOM 246 CE2 TRP A 20 -17.023 4.168 -2.930 1.00 0.00 C ATOM 247 CE3 TRP A 20 -16.711 2.117 -1.695 1.00 0.00 C ATOM 248 CZ2 TRP A 20 -18.069 3.622 -3.667 1.00 0.00 C ATOM 249 CZ3 TRP A 20 -17.749 1.577 -2.426 1.00 0.00 C ATOM 250 CH2 TRP A 20 -18.412 2.325 -3.409 1.00 0.00 C ATOM 0 H TRP A 20 -12.917 5.464 -1.696 1.00 0.00 H new ATOM 0 HA TRP A 20 -12.274 3.314 0.012 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -14.725 3.162 0.302 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -14.200 4.834 0.336 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -14.867 6.375 -1.865 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -16.762 6.170 -3.598 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -16.198 1.529 -0.948 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -18.590 4.201 -4.415 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -18.057 0.559 -2.237 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -19.210 1.867 -3.974 1.00 0.00 H new ATOM 261 N SER A 21 -13.095 2.408 -3.012 1.00 0.00 N ATOM 262 CA SER A 21 -13.200 1.307 -3.981 1.00 0.00 C ATOM 263 C SER A 21 -11.980 1.331 -4.934 1.00 0.00 C ATOM 264 O SER A 21 -12.102 0.997 -6.127 1.00 0.00 O ATOM 265 CB SER A 21 -14.547 1.442 -4.749 1.00 0.00 C ATOM 266 OG SER A 21 -14.805 0.326 -5.594 1.00 0.00 O ATOM 0 H SER A 21 -13.082 3.329 -3.451 1.00 0.00 H new ATOM 0 HA SER A 21 -13.193 0.343 -3.472 1.00 0.00 H new ATOM 0 HB2 SER A 21 -15.362 1.547 -4.032 1.00 0.00 H new ATOM 0 HB3 SER A 21 -14.530 2.352 -5.349 1.00 0.00 H new ATOM 0 HG SER A 21 -14.020 0.151 -6.154 1.00 0.00 H new ATOM 272 N CYS A 22 -10.792 1.681 -4.388 1.00 0.00 N ATOM 273 CA CYS A 22 -9.544 1.766 -5.178 1.00 0.00 C ATOM 274 C CYS A 22 -9.118 0.369 -5.656 1.00 0.00 C ATOM 275 O CYS A 22 -9.374 -0.631 -4.970 1.00 0.00 O ATOM 276 CB CYS A 22 -8.402 2.390 -4.341 1.00 0.00 C ATOM 277 SG CYS A 22 -6.875 2.688 -5.269 1.00 0.00 S ATOM 0 H CYS A 22 -10.673 1.909 -3.401 1.00 0.00 H new ATOM 0 HA CYS A 22 -9.738 2.403 -6.041 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -8.749 3.335 -3.922 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -8.181 1.731 -3.502 1.00 0.00 H new ATOM 0 HG CYS A 22 -6.694 3.968 -5.407 1.00 0.00 H new ATOM 283 N SER A 23 -8.426 0.316 -6.804 1.00 0.00 N ATOM 284 CA SER A 23 -7.993 -0.939 -7.435 1.00 0.00 C ATOM 285 C SER A 23 -6.468 -1.045 -7.342 1.00 0.00 C ATOM 286 O SER A 23 -5.770 -0.021 -7.388 1.00 0.00 O ATOM 287 CB SER A 23 -8.451 -0.985 -8.913 1.00 0.00 C ATOM 288 OG SER A 23 -8.032 -2.181 -9.553 1.00 0.00 O ATOM 0 H SER A 23 -8.149 1.149 -7.324 1.00 0.00 H new ATOM 0 HA SER A 23 -8.446 -1.783 -6.915 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.537 -0.908 -8.960 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.046 -0.125 -9.447 1.00 0.00 H new ATOM 0 HG SER A 23 -7.451 -1.960 -10.311 1.00 0.00 H new ATOM 294 N ALA A 24 -5.964 -2.287 -7.197 1.00 0.00 N ATOM 295 CA ALA A 24 -4.517 -2.568 -7.126 1.00 0.00 C ATOM 296 C ALA A 24 -3.783 -2.022 -8.366 1.00 0.00 C ATOM 297 O ALA A 24 -2.640 -1.580 -8.271 1.00 0.00 O ATOM 298 CB ALA A 24 -4.273 -4.073 -6.965 1.00 0.00 C ATOM 0 H ALA A 24 -6.547 -3.121 -7.126 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.114 -2.057 -6.252 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.201 -4.264 -6.914 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.748 -4.423 -6.048 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.696 -4.604 -7.818 1.00 0.00 H new ATOM 304 N ASP A 25 -4.470 -2.068 -9.526 1.00 0.00 N ATOM 305 CA ASP A 25 -4.005 -1.445 -10.785 1.00 0.00 C ATOM 306 C ASP A 25 -3.699 0.046 -10.616 1.00 0.00 C ATOM 307 O ASP A 25 -2.644 0.501 -11.024 1.00 0.00 O ATOM 308 CB ASP A 25 -5.069 -1.595 -11.896 1.00 0.00 C ATOM 309 CG ASP A 25 -5.407 -3.052 -12.205 1.00 0.00 C ATOM 310 OD1 ASP A 25 -4.733 -3.663 -13.058 1.00 0.00 O ATOM 311 OD2 ASP A 25 -6.345 -3.598 -11.590 1.00 0.00 O ATOM 0 H ASP A 25 -5.369 -2.541 -9.617 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.088 -1.965 -11.062 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.977 -1.073 -11.595 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.709 -1.111 -12.804 1.00 0.00 H new ATOM 316 N GLU A 26 -4.639 0.793 -10.014 1.00 0.00 N ATOM 317 CA GLU A 26 -4.536 2.265 -9.885 1.00 0.00 C ATOM 318 C GLU A 26 -3.414 2.659 -8.904 1.00 0.00 C ATOM 319 O GLU A 26 -2.725 3.665 -9.099 1.00 0.00 O ATOM 320 CB GLU A 26 -5.906 2.862 -9.446 1.00 0.00 C ATOM 321 CG GLU A 26 -7.105 2.416 -10.317 1.00 0.00 C ATOM 322 CD GLU A 26 -6.900 2.668 -11.826 1.00 0.00 C ATOM 323 OE1 GLU A 26 -7.117 3.809 -12.287 1.00 0.00 O ATOM 324 OE2 GLU A 26 -6.501 1.728 -12.559 1.00 0.00 O ATOM 0 H GLU A 26 -5.487 0.402 -9.604 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.277 2.681 -10.859 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.098 2.577 -8.411 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.839 3.950 -9.470 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.285 1.353 -10.156 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.999 2.944 -9.987 1.00 0.00 H new ATOM 331 N VAL A 27 -3.228 1.832 -7.864 1.00 0.00 N ATOM 332 CA VAL A 27 -2.118 1.983 -6.897 1.00 0.00 C ATOM 333 C VAL A 27 -0.770 1.673 -7.596 1.00 0.00 C ATOM 334 O VAL A 27 0.229 2.357 -7.378 1.00 0.00 O ATOM 335 CB VAL A 27 -2.327 1.042 -5.651 1.00 0.00 C ATOM 336 CG1 VAL A 27 -1.212 1.233 -4.596 1.00 0.00 C ATOM 337 CG2 VAL A 27 -3.722 1.255 -5.022 1.00 0.00 C ATOM 0 H VAL A 27 -3.839 1.040 -7.666 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.103 3.012 -6.538 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.268 0.014 -6.008 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.392 0.567 -3.752 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.245 1.001 -5.042 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.213 2.266 -4.249 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.839 0.593 -4.164 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.820 2.291 -4.697 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.492 1.032 -5.760 1.00 0.00 H new ATOM 347 N GLN A 28 -0.800 0.669 -8.485 1.00 0.00 N ATOM 348 CA GLN A 28 0.372 0.214 -9.263 1.00 0.00 C ATOM 349 C GLN A 28 0.856 1.308 -10.237 1.00 0.00 C ATOM 350 O GLN A 28 2.055 1.551 -10.360 1.00 0.00 O ATOM 351 CB GLN A 28 -0.003 -1.074 -10.037 1.00 0.00 C ATOM 352 CG GLN A 28 1.125 -1.705 -10.868 1.00 0.00 C ATOM 353 CD GLN A 28 0.657 -2.876 -11.729 1.00 0.00 C ATOM 354 OE1 GLN A 28 -0.491 -2.909 -12.180 1.00 0.00 O ATOM 355 NE2 GLN A 28 1.530 -3.841 -11.956 1.00 0.00 N ATOM 0 H GLN A 28 -1.648 0.140 -8.690 1.00 0.00 H new ATOM 0 HA GLN A 28 1.191 0.003 -8.576 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.360 -1.815 -9.321 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.836 -0.846 -10.702 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.564 -0.942 -11.511 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.913 -2.048 -10.197 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.471 -3.780 -11.567 1.00 0.00 H new ATOM 0 HE22 GLN A 28 1.263 -4.648 -12.521 1.00 0.00 H new ATOM 364 N ARG A 29 -0.106 1.949 -10.938 1.00 0.00 N ATOM 365 CA ARG A 29 0.168 3.073 -11.860 1.00 0.00 C ATOM 366 C ARG A 29 0.771 4.273 -11.099 1.00 0.00 C ATOM 367 O ARG A 29 1.695 4.933 -11.594 1.00 0.00 O ATOM 368 CB ARG A 29 -1.135 3.506 -12.591 1.00 0.00 C ATOM 369 CG ARG A 29 -1.858 2.382 -13.370 1.00 0.00 C ATOM 370 CD ARG A 29 -1.046 1.819 -14.558 1.00 0.00 C ATOM 371 NE ARG A 29 -1.723 0.668 -15.196 1.00 0.00 N ATOM 372 CZ ARG A 29 -2.657 0.741 -16.171 1.00 0.00 C ATOM 373 NH1 ARG A 29 -3.066 1.904 -16.656 1.00 0.00 N ATOM 374 NH2 ARG A 29 -3.193 -0.375 -16.641 1.00 0.00 N ATOM 0 H ARG A 29 -1.094 1.701 -10.880 1.00 0.00 H new ATOM 0 HA ARG A 29 0.892 2.734 -12.601 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.825 3.918 -11.855 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -0.893 4.310 -13.286 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.089 1.568 -12.683 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.809 2.765 -13.742 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.893 2.605 -15.297 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.060 1.512 -14.210 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.462 -0.263 -14.871 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.675 2.774 -16.294 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.772 1.930 -17.392 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.900 -1.278 -16.268 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.898 -0.332 -17.376 1.00 0.00 H new ATOM 388 N PHE A 30 0.241 4.530 -9.883 1.00 0.00 N ATOM 389 CA PHE A 30 0.751 5.581 -8.977 1.00 0.00 C ATOM 390 C PHE A 30 2.210 5.280 -8.588 1.00 0.00 C ATOM 391 O PHE A 30 3.029 6.181 -8.474 1.00 0.00 O ATOM 392 CB PHE A 30 -0.148 5.657 -7.704 1.00 0.00 C ATOM 393 CG PHE A 30 0.221 6.751 -6.688 1.00 0.00 C ATOM 394 CD1 PHE A 30 1.191 6.531 -5.703 1.00 0.00 C ATOM 395 CD2 PHE A 30 -0.407 7.995 -6.711 1.00 0.00 C ATOM 396 CE1 PHE A 30 1.519 7.511 -4.791 1.00 0.00 C ATOM 397 CE2 PHE A 30 -0.081 8.974 -5.798 1.00 0.00 C ATOM 398 CZ PHE A 30 0.886 8.730 -4.838 1.00 0.00 C ATOM 0 H PHE A 30 -0.552 4.014 -9.503 1.00 0.00 H new ATOM 0 HA PHE A 30 0.721 6.543 -9.488 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.179 5.814 -8.020 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.112 4.692 -7.199 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.692 5.575 -5.657 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.162 8.195 -7.457 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.272 7.321 -4.041 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.580 9.931 -5.831 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.143 9.499 -4.125 1.00 0.00 H new ATOM 408 N PHE A 31 2.513 3.994 -8.382 1.00 0.00 N ATOM 409 CA PHE A 31 3.850 3.536 -7.963 1.00 0.00 C ATOM 410 C PHE A 31 4.658 2.964 -9.139 1.00 0.00 C ATOM 411 O PHE A 31 5.543 2.126 -8.938 1.00 0.00 O ATOM 412 CB PHE A 31 3.709 2.505 -6.812 1.00 0.00 C ATOM 413 CG PHE A 31 3.296 3.129 -5.481 1.00 0.00 C ATOM 414 CD1 PHE A 31 4.179 3.945 -4.771 1.00 0.00 C ATOM 415 CD2 PHE A 31 2.040 2.902 -4.941 1.00 0.00 C ATOM 416 CE1 PHE A 31 3.810 4.507 -3.567 1.00 0.00 C ATOM 417 CE2 PHE A 31 1.677 3.466 -3.744 1.00 0.00 C ATOM 418 CZ PHE A 31 2.557 4.267 -3.053 1.00 0.00 C ATOM 0 H PHE A 31 1.840 3.237 -8.500 1.00 0.00 H new ATOM 0 HA PHE A 31 4.410 4.397 -7.598 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.972 1.754 -7.096 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.659 1.986 -6.682 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.164 4.139 -5.170 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.338 2.273 -5.469 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.504 5.135 -3.028 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.693 3.280 -3.341 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.265 4.706 -2.110 1.00 0.00 H new ATOM 428 N SER A 32 4.390 3.454 -10.366 1.00 0.00 N ATOM 429 CA SER A 32 5.212 3.124 -11.542 1.00 0.00 C ATOM 430 C SER A 32 6.458 4.036 -11.508 1.00 0.00 C ATOM 431 O SER A 32 6.511 5.090 -12.159 1.00 0.00 O ATOM 432 CB SER A 32 4.395 3.298 -12.842 1.00 0.00 C ATOM 433 OG SER A 32 5.149 2.931 -13.983 1.00 0.00 O ATOM 0 H SER A 32 3.610 4.080 -10.566 1.00 0.00 H new ATOM 0 HA SER A 32 5.527 2.081 -11.519 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.493 2.689 -12.790 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.074 4.336 -12.935 1.00 0.00 H new ATOM 0 HG SER A 32 4.603 3.051 -14.788 1.00 0.00 H new ATOM 439 N ASP A 33 7.456 3.592 -10.725 1.00 0.00 N ATOM 440 CA ASP A 33 8.572 4.427 -10.218 1.00 0.00 C ATOM 441 C ASP A 33 9.365 3.600 -9.190 1.00 0.00 C ATOM 442 O ASP A 33 10.595 3.652 -9.125 1.00 0.00 O ATOM 443 CB ASP A 33 8.065 5.735 -9.533 1.00 0.00 C ATOM 444 CG ASP A 33 9.212 6.660 -9.089 1.00 0.00 C ATOM 445 OD1 ASP A 33 9.766 7.377 -9.948 1.00 0.00 O ATOM 446 OD2 ASP A 33 9.569 6.666 -7.890 1.00 0.00 O ATOM 0 H ASP A 33 7.516 2.621 -10.417 1.00 0.00 H new ATOM 0 HA ASP A 33 9.194 4.717 -11.065 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.417 6.274 -10.224 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.459 5.474 -8.666 1.00 0.00 H new ATOM 451 N CYS A 34 8.589 2.858 -8.389 1.00 0.00 N ATOM 452 CA CYS A 34 9.094 1.924 -7.381 1.00 0.00 C ATOM 453 C CYS A 34 8.680 0.514 -7.800 1.00 0.00 C ATOM 454 O CYS A 34 7.501 0.255 -8.063 1.00 0.00 O ATOM 455 CB CYS A 34 8.560 2.278 -5.977 1.00 0.00 C ATOM 456 SG CYS A 34 6.775 2.347 -5.857 1.00 0.00 S ATOM 0 H CYS A 34 7.570 2.893 -8.427 1.00 0.00 H new ATOM 0 HA CYS A 34 10.181 1.987 -7.321 1.00 0.00 H new ATOM 0 HB2 CYS A 34 8.931 1.541 -5.265 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.969 3.243 -5.679 1.00 0.00 H new ATOM 0 HG CYS A 34 6.434 3.239 -4.975 1.00 0.00 H new ATOM 462 N LYS A 35 9.656 -0.391 -7.861 1.00 0.00 N ATOM 463 CA LYS A 35 9.474 -1.733 -8.417 1.00 0.00 C ATOM 464 C LYS A 35 8.748 -2.619 -7.396 1.00 0.00 C ATOM 465 O LYS A 35 9.345 -3.098 -6.423 1.00 0.00 O ATOM 466 CB LYS A 35 10.844 -2.319 -8.828 1.00 0.00 C ATOM 467 CG LYS A 35 11.559 -1.516 -9.937 1.00 0.00 C ATOM 468 CD LYS A 35 12.989 -2.023 -10.221 1.00 0.00 C ATOM 469 CE LYS A 35 13.716 -1.179 -11.282 1.00 0.00 C ATOM 470 NZ LYS A 35 15.113 -1.638 -11.497 1.00 0.00 N ATOM 0 H LYS A 35 10.602 -0.213 -7.524 1.00 0.00 H new ATOM 0 HA LYS A 35 8.856 -1.687 -9.313 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.489 -2.361 -7.950 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.702 -3.345 -9.169 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.971 -1.570 -10.853 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.602 -0.466 -9.647 1.00 0.00 H new ATOM 0 HD2 LYS A 35 13.565 -2.012 -9.296 1.00 0.00 H new ATOM 0 HD3 LYS A 35 12.943 -3.059 -10.555 1.00 0.00 H new ATOM 0 HE2 LYS A 35 13.169 -1.230 -12.223 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.721 -0.134 -10.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 15.567 -1.043 -12.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 15.643 -1.565 -10.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 15.108 -2.627 -11.817 1.00 0.00 H new ATOM 484 N ILE A 36 7.434 -2.783 -7.620 1.00 0.00 N ATOM 485 CA ILE A 36 6.532 -3.461 -6.690 1.00 0.00 C ATOM 486 C ILE A 36 6.763 -4.978 -6.733 1.00 0.00 C ATOM 487 O ILE A 36 6.748 -5.583 -7.814 1.00 0.00 O ATOM 488 CB ILE A 36 5.024 -3.119 -7.010 1.00 0.00 C ATOM 489 CG1 ILE A 36 4.819 -1.572 -7.088 1.00 0.00 C ATOM 490 CG2 ILE A 36 4.074 -3.742 -5.965 1.00 0.00 C ATOM 491 CD1 ILE A 36 3.403 -1.116 -7.428 1.00 0.00 C ATOM 0 H ILE A 36 6.969 -2.443 -8.462 1.00 0.00 H new ATOM 0 HA ILE A 36 6.750 -3.103 -5.684 1.00 0.00 H new ATOM 0 HB ILE A 36 4.780 -3.552 -7.980 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.103 -1.136 -6.130 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.502 -1.169 -7.836 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.043 -3.488 -6.213 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.192 -4.826 -5.967 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.315 -3.353 -4.976 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.369 -0.027 -7.457 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.116 -1.514 -8.401 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.711 -1.481 -6.669 1.00 0.00 H new ATOM 503 N GLN A 37 6.979 -5.564 -5.546 1.00 0.00 N ATOM 504 CA GLN A 37 7.164 -7.009 -5.374 1.00 0.00 C ATOM 505 C GLN A 37 5.868 -7.743 -5.779 1.00 0.00 C ATOM 506 O GLN A 37 4.795 -7.433 -5.246 1.00 0.00 O ATOM 507 CB GLN A 37 7.539 -7.329 -3.897 1.00 0.00 C ATOM 508 CG GLN A 37 7.852 -8.815 -3.605 1.00 0.00 C ATOM 509 CD GLN A 37 9.106 -9.320 -4.327 1.00 0.00 C ATOM 510 OE1 GLN A 37 9.035 -9.834 -5.446 1.00 0.00 O ATOM 511 NE2 GLN A 37 10.262 -9.177 -3.690 1.00 0.00 N ATOM 0 H GLN A 37 7.030 -5.042 -4.671 1.00 0.00 H new ATOM 0 HA GLN A 37 7.978 -7.350 -6.013 1.00 0.00 H new ATOM 0 HB2 GLN A 37 8.407 -6.730 -3.621 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.717 -7.014 -3.254 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.980 -8.948 -2.531 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.999 -9.425 -3.902 1.00 0.00 H new ATOM 0 HE21 GLN A 37 10.285 -8.747 -2.765 1.00 0.00 H new ATOM 0 HE22 GLN A 37 11.127 -9.497 -4.125 1.00 0.00 H new ATOM 520 N ASN A 38 5.985 -8.650 -6.778 1.00 0.00 N ATOM 521 CA ASN A 38 4.869 -9.474 -7.316 1.00 0.00 C ATOM 522 C ASN A 38 3.839 -8.619 -8.100 1.00 0.00 C ATOM 523 O ASN A 38 2.744 -9.097 -8.432 1.00 0.00 O ATOM 524 CB ASN A 38 4.184 -10.291 -6.177 1.00 0.00 C ATOM 525 CG ASN A 38 5.154 -11.251 -5.473 1.00 0.00 C ATOM 526 OD1 ASN A 38 5.966 -11.922 -6.116 1.00 0.00 O ATOM 527 ND2 ASN A 38 5.114 -11.279 -4.152 1.00 0.00 N ATOM 0 H ASN A 38 6.874 -8.835 -7.243 1.00 0.00 H new ATOM 0 HA ASN A 38 5.298 -10.180 -8.028 1.00 0.00 H new ATOM 0 HB2 ASN A 38 3.764 -9.603 -5.444 1.00 0.00 H new ATOM 0 HB3 ASN A 38 3.353 -10.861 -6.593 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.767 -11.867 -3.634 1.00 0.00 H new ATOM 0 HD22 ASN A 38 4.430 -10.712 -3.650 1.00 0.00 H new ATOM 534 N GLY A 39 4.216 -7.359 -8.406 1.00 0.00 N ATOM 535 CA GLY A 39 3.333 -6.409 -9.089 1.00 0.00 C ATOM 536 C GLY A 39 2.097 -6.077 -8.260 1.00 0.00 C ATOM 537 O GLY A 39 2.206 -5.874 -7.046 1.00 0.00 O ATOM 0 H GLY A 39 5.137 -6.980 -8.185 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.883 -5.492 -9.302 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.025 -6.826 -10.048 1.00 0.00 H new ATOM 541 N ALA A 40 0.913 -6.087 -8.894 1.00 0.00 N ATOM 542 CA ALA A 40 -0.375 -5.809 -8.222 1.00 0.00 C ATOM 543 C ALA A 40 -0.704 -6.856 -7.120 1.00 0.00 C ATOM 544 O ALA A 40 -1.510 -6.578 -6.223 1.00 0.00 O ATOM 545 CB ALA A 40 -1.502 -5.728 -9.268 1.00 0.00 C ATOM 0 H ALA A 40 0.818 -6.288 -9.889 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.289 -4.847 -7.716 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.449 -5.523 -8.768 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.285 -4.928 -9.976 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.572 -6.676 -9.802 1.00 0.00 H new ATOM 551 N GLN A 41 -0.054 -8.041 -7.187 1.00 0.00 N ATOM 552 CA GLN A 41 -0.260 -9.136 -6.207 1.00 0.00 C ATOM 553 C GLN A 41 0.403 -8.829 -4.844 1.00 0.00 C ATOM 554 O GLN A 41 0.060 -9.458 -3.839 1.00 0.00 O ATOM 555 CB GLN A 41 0.277 -10.480 -6.770 1.00 0.00 C ATOM 556 CG GLN A 41 -0.387 -10.930 -8.086 1.00 0.00 C ATOM 557 CD GLN A 41 -1.892 -11.218 -7.946 1.00 0.00 C ATOM 558 OE1 GLN A 41 -2.361 -11.653 -6.891 1.00 0.00 O ATOM 559 NE2 GLN A 41 -2.662 -10.954 -8.997 1.00 0.00 N ATOM 0 H GLN A 41 0.623 -8.265 -7.916 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.334 -9.219 -6.040 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.351 -10.389 -6.932 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.133 -11.258 -6.020 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.242 -10.157 -8.840 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.115 -11.827 -8.449 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.246 -10.595 -9.856 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.669 -11.110 -8.944 1.00 0.00 H new ATOM 568 N GLY A 42 1.331 -7.852 -4.830 1.00 0.00 N ATOM 569 CA GLY A 42 1.993 -7.408 -3.593 1.00 0.00 C ATOM 570 C GLY A 42 1.206 -6.305 -2.871 1.00 0.00 C ATOM 571 O GLY A 42 1.573 -5.899 -1.764 1.00 0.00 O ATOM 0 H GLY A 42 1.638 -7.355 -5.666 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.116 -8.260 -2.924 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.992 -7.042 -3.830 1.00 0.00 H new ATOM 575 N ILE A 43 0.128 -5.818 -3.519 1.00 0.00 N ATOM 576 CA ILE A 43 -0.753 -4.764 -2.980 1.00 0.00 C ATOM 577 C ILE A 43 -1.939 -5.387 -2.202 1.00 0.00 C ATOM 578 O ILE A 43 -2.696 -6.204 -2.731 1.00 0.00 O ATOM 579 CB ILE A 43 -1.261 -3.841 -4.151 1.00 0.00 C ATOM 580 CG1 ILE A 43 -0.032 -3.293 -4.961 1.00 0.00 C ATOM 581 CG2 ILE A 43 -2.162 -2.691 -3.625 1.00 0.00 C ATOM 582 CD1 ILE A 43 -0.377 -2.406 -6.147 1.00 0.00 C ATOM 0 H ILE A 43 -0.157 -6.149 -4.440 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.186 -4.151 -2.279 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.881 -4.436 -4.821 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.608 -2.730 -4.281 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.552 -4.140 -5.320 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.493 -2.076 -4.462 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.031 -3.112 -3.118 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.596 -2.077 -2.925 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.541 -2.081 -6.637 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.988 -2.966 -6.855 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.931 -1.534 -5.800 1.00 0.00 H new ATOM 594 N ARG A 44 -2.063 -4.976 -0.929 1.00 0.00 N ATOM 595 CA ARG A 44 -3.095 -5.458 0.023 1.00 0.00 C ATOM 596 C ARG A 44 -3.739 -4.261 0.721 1.00 0.00 C ATOM 597 O ARG A 44 -3.127 -3.674 1.604 1.00 0.00 O ATOM 598 CB ARG A 44 -2.516 -6.430 1.114 1.00 0.00 C ATOM 599 CG ARG A 44 -2.492 -7.930 0.756 1.00 0.00 C ATOM 600 CD ARG A 44 -1.424 -8.293 -0.267 1.00 0.00 C ATOM 601 NE ARG A 44 -1.398 -9.737 -0.548 1.00 0.00 N ATOM 602 CZ ARG A 44 -0.319 -10.414 -0.954 1.00 0.00 C ATOM 603 NH1 ARG A 44 0.875 -9.827 -1.009 1.00 0.00 N ATOM 604 NH2 ARG A 44 -0.443 -11.684 -1.290 1.00 0.00 N ATOM 0 H ARG A 44 -1.437 -4.284 -0.517 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.828 -6.017 -0.559 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.497 -6.118 1.343 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.100 -6.306 2.026 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.326 -8.510 1.664 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.469 -8.219 0.368 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.608 -7.747 -1.192 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.448 -7.978 0.101 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.265 -10.259 -0.424 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.975 -8.848 -0.739 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.689 -10.356 -1.321 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.355 -12.139 -1.238 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.373 -12.211 -1.601 1.00 0.00 H new ATOM 618 N PHE A 45 -4.972 -3.922 0.342 1.00 0.00 N ATOM 619 CA PHE A 45 -5.733 -2.860 1.021 1.00 0.00 C ATOM 620 C PHE A 45 -6.101 -3.329 2.437 1.00 0.00 C ATOM 621 O PHE A 45 -6.337 -4.523 2.644 1.00 0.00 O ATOM 622 CB PHE A 45 -7.007 -2.488 0.223 1.00 0.00 C ATOM 623 CG PHE A 45 -6.730 -2.063 -1.217 1.00 0.00 C ATOM 624 CD1 PHE A 45 -6.580 -3.016 -2.229 1.00 0.00 C ATOM 625 CD2 PHE A 45 -6.596 -0.719 -1.558 1.00 0.00 C ATOM 626 CE1 PHE A 45 -6.309 -2.635 -3.528 1.00 0.00 C ATOM 627 CE2 PHE A 45 -6.323 -0.342 -2.859 1.00 0.00 C ATOM 628 CZ PHE A 45 -6.180 -1.299 -3.839 1.00 0.00 C ATOM 0 H PHE A 45 -5.469 -4.365 -0.431 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.113 -1.966 1.083 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.683 -3.343 0.216 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -7.523 -1.678 0.738 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -6.678 -4.065 -1.991 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.707 0.038 -0.796 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -6.198 -3.383 -4.299 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.222 0.704 -3.108 1.00 0.00 H new ATOM 0 HZ PHE A 45 -5.966 -1.001 -4.855 1.00 0.00 H new ATOM 638 N ILE A 46 -6.092 -2.412 3.412 1.00 0.00 N ATOM 639 CA ILE A 46 -6.531 -2.719 4.776 1.00 0.00 C ATOM 640 C ILE A 46 -8.061 -2.842 4.764 1.00 0.00 C ATOM 641 O ILE A 46 -8.779 -1.835 4.787 1.00 0.00 O ATOM 642 CB ILE A 46 -6.041 -1.627 5.806 1.00 0.00 C ATOM 643 CG1 ILE A 46 -4.482 -1.517 5.761 1.00 0.00 C ATOM 644 CG2 ILE A 46 -6.550 -1.926 7.244 1.00 0.00 C ATOM 645 CD1 ILE A 46 -3.870 -0.487 6.701 1.00 0.00 C ATOM 0 H ILE A 46 -5.784 -1.449 3.279 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.088 -3.659 5.104 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.466 -0.665 5.518 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.059 -2.494 5.996 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.181 -1.276 4.741 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.193 -1.153 7.925 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.640 -1.938 7.249 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.175 -2.897 7.568 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.786 -0.492 6.590 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.255 0.503 6.456 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.131 -0.733 7.730 1.00 0.00 H new ATOM 657 N TYR A 47 -8.534 -4.088 4.602 1.00 0.00 N ATOM 658 CA TYR A 47 -9.961 -4.408 4.566 1.00 0.00 C ATOM 659 C TYR A 47 -10.497 -4.411 5.997 1.00 0.00 C ATOM 660 O TYR A 47 -9.879 -5.004 6.876 1.00 0.00 O ATOM 661 CB TYR A 47 -10.208 -5.794 3.904 1.00 0.00 C ATOM 662 CG TYR A 47 -9.461 -6.006 2.584 1.00 0.00 C ATOM 663 CD1 TYR A 47 -9.790 -5.272 1.446 1.00 0.00 C ATOM 664 CD2 TYR A 47 -8.394 -6.909 2.492 1.00 0.00 C ATOM 665 CE1 TYR A 47 -9.092 -5.439 0.265 1.00 0.00 C ATOM 666 CE2 TYR A 47 -7.689 -7.069 1.315 1.00 0.00 C ATOM 667 CZ TYR A 47 -8.041 -6.329 0.206 1.00 0.00 C ATOM 668 OH TYR A 47 -7.330 -6.471 -0.961 1.00 0.00 O ATOM 0 H TYR A 47 -7.930 -4.903 4.492 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.480 -3.657 3.970 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.913 -6.575 4.604 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.277 -5.913 3.726 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -10.603 -4.562 1.488 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -8.117 -7.491 3.358 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -9.370 -4.872 -0.611 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.868 -7.769 1.264 1.00 0.00 H new ATOM 0 HH TYR A 47 -6.622 -7.137 -0.834 1.00 0.00 H new ATOM 678 N THR A 48 -11.654 -3.775 6.211 1.00 0.00 N ATOM 679 CA THR A 48 -12.277 -3.650 7.532 1.00 0.00 C ATOM 680 C THR A 48 -12.936 -4.978 7.959 1.00 0.00 C ATOM 681 O THR A 48 -12.777 -6.010 7.292 1.00 0.00 O ATOM 682 CB THR A 48 -13.326 -2.490 7.501 1.00 0.00 C ATOM 683 OG1 THR A 48 -14.339 -2.778 6.514 1.00 0.00 O ATOM 684 CG2 THR A 48 -12.670 -1.122 7.190 1.00 0.00 C ATOM 0 H THR A 48 -12.188 -3.329 5.465 1.00 0.00 H new ATOM 0 HA THR A 48 -11.508 -3.416 8.268 1.00 0.00 H new ATOM 0 HB THR A 48 -13.775 -2.424 8.492 1.00 0.00 H new ATOM 0 HG1 THR A 48 -14.996 -2.051 6.498 1.00 0.00 H new ATOM 0 HG21 THR A 48 -13.435 -0.346 7.178 1.00 0.00 H new ATOM 0 HG22 THR A 48 -11.930 -0.891 7.956 1.00 0.00 H new ATOM 0 HG23 THR A 48 -12.182 -1.165 6.216 1.00 0.00 H new ATOM 692 N ARG A 49 -13.682 -4.953 9.073 1.00 0.00 N ATOM 693 CA ARG A 49 -14.490 -6.104 9.517 1.00 0.00 C ATOM 694 C ARG A 49 -15.632 -6.353 8.489 1.00 0.00 C ATOM 695 O ARG A 49 -16.147 -7.470 8.376 1.00 0.00 O ATOM 696 CB ARG A 49 -15.009 -5.845 10.972 1.00 0.00 C ATOM 697 CG ARG A 49 -15.492 -7.087 11.782 1.00 0.00 C ATOM 698 CD ARG A 49 -16.911 -7.562 11.431 1.00 0.00 C ATOM 699 NE ARG A 49 -17.337 -8.733 12.217 1.00 0.00 N ATOM 700 CZ ARG A 49 -18.559 -9.280 12.186 1.00 0.00 C ATOM 701 NH1 ARG A 49 -19.531 -8.759 11.439 1.00 0.00 N ATOM 702 NH2 ARG A 49 -18.810 -10.347 12.918 1.00 0.00 N ATOM 0 H ARG A 49 -13.744 -4.142 9.689 1.00 0.00 H new ATOM 0 HA ARG A 49 -13.891 -7.014 9.555 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -14.211 -5.362 11.536 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -15.834 -5.135 10.916 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -14.795 -7.908 11.614 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -15.454 -6.849 12.845 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -17.613 -6.745 11.597 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -16.954 -7.808 10.370 1.00 0.00 H new ATOM 0 HE ARG A 49 -16.646 -9.161 12.834 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -19.352 -7.928 10.876 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -20.455 -9.192 11.430 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -18.076 -10.749 13.502 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -19.738 -10.771 12.901 1.00 0.00 H new ATOM 716 N GLU A 50 -15.959 -5.311 7.682 1.00 0.00 N ATOM 717 CA GLU A 50 -16.981 -5.384 6.616 1.00 0.00 C ATOM 718 C GLU A 50 -16.327 -5.793 5.265 1.00 0.00 C ATOM 719 O GLU A 50 -17.013 -5.886 4.243 1.00 0.00 O ATOM 720 CB GLU A 50 -17.714 -4.011 6.464 1.00 0.00 C ATOM 721 CG GLU A 50 -18.454 -3.490 7.726 1.00 0.00 C ATOM 722 CD GLU A 50 -17.530 -3.071 8.893 1.00 0.00 C ATOM 723 OE1 GLU A 50 -16.671 -2.186 8.691 1.00 0.00 O ATOM 724 OE2 GLU A 50 -17.639 -3.640 10.004 1.00 0.00 O ATOM 0 H GLU A 50 -15.517 -4.395 7.756 1.00 0.00 H new ATOM 0 HA GLU A 50 -17.714 -6.141 6.895 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -16.982 -3.262 6.162 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -18.437 -4.096 5.653 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -19.068 -2.635 7.443 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -19.132 -4.267 8.079 1.00 0.00 H new ATOM 731 N GLY A 51 -14.997 -6.026 5.285 1.00 0.00 N ATOM 732 CA GLY A 51 -14.237 -6.421 4.090 1.00 0.00 C ATOM 733 C GLY A 51 -14.056 -5.292 3.076 1.00 0.00 C ATOM 734 O GLY A 51 -13.904 -5.545 1.874 1.00 0.00 O ATOM 0 H GLY A 51 -14.427 -5.945 6.127 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -13.256 -6.782 4.397 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -14.746 -7.254 3.606 1.00 0.00 H new ATOM 738 N ARG A 52 -14.066 -4.041 3.569 1.00 0.00 N ATOM 739 CA ARG A 52 -13.975 -2.828 2.723 1.00 0.00 C ATOM 740 C ARG A 52 -12.593 -2.150 2.875 1.00 0.00 C ATOM 741 O ARG A 52 -12.131 -2.000 4.002 1.00 0.00 O ATOM 742 CB ARG A 52 -15.094 -1.816 3.095 1.00 0.00 C ATOM 743 CG ARG A 52 -16.515 -2.232 2.666 1.00 0.00 C ATOM 744 CD ARG A 52 -17.548 -1.119 2.908 1.00 0.00 C ATOM 745 NE ARG A 52 -18.889 -1.479 2.399 1.00 0.00 N ATOM 746 CZ ARG A 52 -19.740 -0.633 1.790 1.00 0.00 C ATOM 747 NH1 ARG A 52 -19.393 0.632 1.553 1.00 0.00 N ATOM 748 NH2 ARG A 52 -20.935 -1.064 1.406 1.00 0.00 N ATOM 0 H ARG A 52 -14.137 -3.838 4.566 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.103 -3.137 1.686 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -15.085 -1.668 4.175 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -14.860 -0.854 2.639 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -16.510 -2.496 1.608 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -16.811 -3.125 3.216 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -17.611 -0.910 3.976 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -17.212 -0.202 2.423 1.00 0.00 H new ATOM 0 HE ARG A 52 -19.193 -2.445 2.519 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -18.472 0.970 1.834 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -20.048 1.262 1.090 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -21.205 -2.033 1.573 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -21.583 -0.426 0.944 1.00 0.00 H new ATOM 762 N PRO A 53 -11.919 -1.731 1.747 1.00 0.00 N ATOM 763 CA PRO A 53 -10.684 -0.911 1.813 1.00 0.00 C ATOM 764 C PRO A 53 -10.928 0.404 2.585 1.00 0.00 C ATOM 765 O PRO A 53 -11.783 1.205 2.190 1.00 0.00 O ATOM 766 CB PRO A 53 -10.338 -0.640 0.319 1.00 0.00 C ATOM 767 CG PRO A 53 -11.005 -1.752 -0.431 1.00 0.00 C ATOM 768 CD PRO A 53 -12.285 -2.035 0.333 1.00 0.00 C ATOM 0 HA PRO A 53 -9.874 -1.410 2.345 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -10.708 0.333 -0.003 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -9.260 -0.642 0.155 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -11.217 -1.462 -1.460 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -10.368 -2.636 -0.474 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -13.106 -1.408 -0.013 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -12.603 -3.071 0.214 1.00 0.00 H new ATOM 776 N SER A 54 -10.165 0.611 3.667 1.00 0.00 N ATOM 777 CA SER A 54 -10.335 1.754 4.585 1.00 0.00 C ATOM 778 C SER A 54 -9.847 3.087 3.959 1.00 0.00 C ATOM 779 O SER A 54 -10.087 4.169 4.511 1.00 0.00 O ATOM 780 CB SER A 54 -9.555 1.455 5.884 1.00 0.00 C ATOM 781 OG SER A 54 -8.184 1.190 5.600 1.00 0.00 O ATOM 0 H SER A 54 -9.405 -0.014 3.935 1.00 0.00 H new ATOM 0 HA SER A 54 -11.397 1.878 4.795 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.633 2.303 6.564 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.998 0.598 6.391 1.00 0.00 H new ATOM 0 HG SER A 54 -7.654 1.998 5.764 1.00 0.00 H new ATOM 787 N GLY A 55 -9.188 2.988 2.789 1.00 0.00 N ATOM 788 CA GLY A 55 -8.474 4.111 2.183 1.00 0.00 C ATOM 789 C GLY A 55 -6.970 3.971 2.395 1.00 0.00 C ATOM 790 O GLY A 55 -6.176 4.742 1.844 1.00 0.00 O ATOM 0 H GLY A 55 -9.140 2.127 2.244 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.693 4.155 1.116 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.822 5.047 2.619 1.00 0.00 H new ATOM 794 N GLU A 56 -6.588 2.991 3.235 1.00 0.00 N ATOM 795 CA GLU A 56 -5.192 2.618 3.498 1.00 0.00 C ATOM 796 C GLU A 56 -4.896 1.246 2.860 1.00 0.00 C ATOM 797 O GLU A 56 -5.807 0.437 2.647 1.00 0.00 O ATOM 798 CB GLU A 56 -4.890 2.576 5.026 1.00 0.00 C ATOM 799 CG GLU A 56 -4.933 3.934 5.768 1.00 0.00 C ATOM 800 CD GLU A 56 -6.327 4.588 5.824 1.00 0.00 C ATOM 801 OE1 GLU A 56 -7.259 3.962 6.356 1.00 0.00 O ATOM 802 OE2 GLU A 56 -6.497 5.717 5.324 1.00 0.00 O ATOM 0 H GLU A 56 -7.257 2.427 3.759 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.546 3.376 3.055 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.607 1.904 5.499 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.902 2.139 5.168 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.573 3.789 6.786 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.242 4.622 5.281 1.00 0.00 H new ATOM 809 N ALA A 57 -3.609 1.009 2.537 1.00 0.00 N ATOM 810 CA ALA A 57 -3.112 -0.260 1.964 1.00 0.00 C ATOM 811 C ALA A 57 -1.656 -0.506 2.386 1.00 0.00 C ATOM 812 O ALA A 57 -1.041 0.356 2.983 1.00 0.00 O ATOM 813 CB ALA A 57 -3.212 -0.232 0.423 1.00 0.00 C ATOM 0 H ALA A 57 -2.874 1.704 2.668 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.732 -1.072 2.344 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.842 -1.174 0.017 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -4.252 -0.094 0.128 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.612 0.591 0.034 1.00 0.00 H new ATOM 819 N PHE A 58 -1.149 -1.718 2.122 1.00 0.00 N ATOM 820 CA PHE A 58 0.282 -2.059 2.172 1.00 0.00 C ATOM 821 C PHE A 58 0.738 -2.522 0.780 1.00 0.00 C ATOM 822 O PHE A 58 0.124 -3.415 0.196 1.00 0.00 O ATOM 823 CB PHE A 58 0.551 -3.192 3.199 1.00 0.00 C ATOM 824 CG PHE A 58 0.302 -2.804 4.651 1.00 0.00 C ATOM 825 CD1 PHE A 58 1.226 -2.021 5.336 1.00 0.00 C ATOM 826 CD2 PHE A 58 -0.840 -3.223 5.328 1.00 0.00 C ATOM 827 CE1 PHE A 58 1.016 -1.667 6.652 1.00 0.00 C ATOM 828 CE2 PHE A 58 -1.047 -2.867 6.644 1.00 0.00 C ATOM 829 CZ PHE A 58 -0.119 -2.086 7.307 1.00 0.00 C ATOM 0 H PHE A 58 -1.737 -2.510 1.861 1.00 0.00 H new ATOM 0 HA PHE A 58 0.838 -1.174 2.481 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.080 -4.046 2.952 1.00 0.00 H new ATOM 0 HB3 PHE A 58 1.586 -3.519 3.096 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.120 -1.686 4.830 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.571 -3.833 4.818 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.744 -1.060 7.170 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.937 -3.199 7.158 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.285 -1.805 8.337 1.00 0.00 H new ATOM 839 N VAL A 59 1.809 -1.916 0.263 1.00 0.00 N ATOM 840 CA VAL A 59 2.410 -2.282 -1.032 1.00 0.00 C ATOM 841 C VAL A 59 3.839 -2.757 -0.793 1.00 0.00 C ATOM 842 O VAL A 59 4.662 -2.004 -0.261 1.00 0.00 O ATOM 843 CB VAL A 59 2.387 -1.061 -2.033 1.00 0.00 C ATOM 844 CG1 VAL A 59 3.238 -1.312 -3.309 1.00 0.00 C ATOM 845 CG2 VAL A 59 0.928 -0.715 -2.410 1.00 0.00 C ATOM 0 H VAL A 59 2.292 -1.150 0.732 1.00 0.00 H new ATOM 0 HA VAL A 59 1.828 -3.084 -1.486 1.00 0.00 H new ATOM 0 HB VAL A 59 2.842 -0.214 -1.519 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.184 -0.439 -3.960 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.275 -1.490 -3.025 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.852 -2.183 -3.838 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.921 0.128 -3.101 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.461 -1.577 -2.885 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.372 -0.452 -1.510 1.00 0.00 H new ATOM 855 N GLU A 60 4.128 -4.014 -1.166 1.00 0.00 N ATOM 856 CA GLU A 60 5.479 -4.577 -1.061 1.00 0.00 C ATOM 857 C GLU A 60 6.332 -4.102 -2.237 1.00 0.00 C ATOM 858 O GLU A 60 5.835 -3.937 -3.350 1.00 0.00 O ATOM 859 CB GLU A 60 5.453 -6.122 -1.024 1.00 0.00 C ATOM 860 CG GLU A 60 4.820 -6.715 0.239 1.00 0.00 C ATOM 861 CD GLU A 60 5.002 -8.238 0.344 1.00 0.00 C ATOM 862 OE1 GLU A 60 4.157 -8.997 -0.192 1.00 0.00 O ATOM 863 OE2 GLU A 60 6.007 -8.686 0.951 1.00 0.00 O ATOM 0 H GLU A 60 3.437 -4.662 -1.545 1.00 0.00 H new ATOM 0 HA GLU A 60 5.914 -4.227 -0.125 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.906 -6.485 -1.894 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.474 -6.493 -1.112 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.260 -6.241 1.116 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.756 -6.480 0.250 1.00 0.00 H new ATOM 870 N LEU A 61 7.621 -3.916 -1.975 1.00 0.00 N ATOM 871 CA LEU A 61 8.600 -3.388 -2.934 1.00 0.00 C ATOM 872 C LEU A 61 9.873 -4.251 -2.822 1.00 0.00 C ATOM 873 O LEU A 61 10.289 -4.589 -1.713 1.00 0.00 O ATOM 874 CB LEU A 61 8.879 -1.882 -2.628 1.00 0.00 C ATOM 875 CG LEU A 61 7.631 -0.935 -2.741 1.00 0.00 C ATOM 876 CD1 LEU A 61 7.910 0.458 -2.183 1.00 0.00 C ATOM 877 CD2 LEU A 61 7.128 -0.843 -4.192 1.00 0.00 C ATOM 0 H LEU A 61 8.031 -4.133 -1.066 1.00 0.00 H new ATOM 0 HA LEU A 61 8.225 -3.438 -3.956 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.286 -1.802 -1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.649 -1.525 -3.312 1.00 0.00 H new ATOM 0 HG LEU A 61 6.846 -1.381 -2.131 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.018 1.076 -2.284 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.181 0.381 -1.130 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.731 0.914 -2.736 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.264 -0.180 -4.236 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.921 -0.448 -4.828 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.843 -1.835 -4.542 1.00 0.00 H new ATOM 889 N GLU A 62 10.470 -4.622 -3.971 1.00 0.00 N ATOM 890 CA GLU A 62 11.535 -5.656 -4.039 1.00 0.00 C ATOM 891 C GLU A 62 12.849 -5.260 -3.331 1.00 0.00 C ATOM 892 O GLU A 62 13.741 -6.106 -3.162 1.00 0.00 O ATOM 893 CB GLU A 62 11.817 -6.028 -5.506 1.00 0.00 C ATOM 894 CG GLU A 62 12.334 -4.874 -6.391 1.00 0.00 C ATOM 895 CD GLU A 62 12.578 -5.310 -7.847 1.00 0.00 C ATOM 896 OE1 GLU A 62 11.596 -5.648 -8.536 1.00 0.00 O ATOM 897 OE2 GLU A 62 13.740 -5.320 -8.310 1.00 0.00 O ATOM 0 H GLU A 62 10.233 -4.219 -4.877 1.00 0.00 H new ATOM 0 HA GLU A 62 11.150 -6.518 -3.495 1.00 0.00 H new ATOM 0 HB2 GLU A 62 12.550 -6.835 -5.525 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.900 -6.420 -5.947 1.00 0.00 H new ATOM 0 HG2 GLU A 62 11.612 -4.058 -6.376 1.00 0.00 H new ATOM 0 HG3 GLU A 62 13.262 -4.486 -5.971 1.00 0.00 H new ATOM 904 N SER A 63 12.966 -3.990 -2.940 1.00 0.00 N ATOM 905 CA SER A 63 14.101 -3.489 -2.135 1.00 0.00 C ATOM 906 C SER A 63 13.675 -2.260 -1.312 1.00 0.00 C ATOM 907 O SER A 63 12.661 -1.614 -1.615 1.00 0.00 O ATOM 908 CB SER A 63 15.328 -3.151 -3.021 1.00 0.00 C ATOM 909 OG SER A 63 15.084 -2.057 -3.880 1.00 0.00 O ATOM 0 H SER A 63 12.279 -3.272 -3.169 1.00 0.00 H new ATOM 0 HA SER A 63 14.398 -4.285 -1.452 1.00 0.00 H new ATOM 0 HB2 SER A 63 16.183 -2.926 -2.383 1.00 0.00 H new ATOM 0 HB3 SER A 63 15.595 -4.024 -3.616 1.00 0.00 H new ATOM 0 HG SER A 63 15.884 -1.879 -4.418 1.00 0.00 H new ATOM 915 N GLU A 64 14.469 -1.946 -0.264 1.00 0.00 N ATOM 916 CA GLU A 64 14.247 -0.771 0.602 1.00 0.00 C ATOM 917 C GLU A 64 14.582 0.541 -0.145 1.00 0.00 C ATOM 918 O GLU A 64 14.168 1.620 0.272 1.00 0.00 O ATOM 919 CB GLU A 64 15.073 -0.905 1.909 1.00 0.00 C ATOM 920 CG GLU A 64 14.781 0.157 2.982 1.00 0.00 C ATOM 921 CD GLU A 64 15.633 -0.010 4.246 1.00 0.00 C ATOM 922 OE1 GLU A 64 15.248 -0.793 5.144 1.00 0.00 O ATOM 923 OE2 GLU A 64 16.691 0.653 4.359 1.00 0.00 O ATOM 0 H GLU A 64 15.281 -2.502 0.004 1.00 0.00 H new ATOM 0 HA GLU A 64 13.191 -0.731 0.869 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.888 -1.890 2.337 1.00 0.00 H new ATOM 0 HB3 GLU A 64 16.132 -0.861 1.656 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.957 1.147 2.561 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.726 0.109 3.254 1.00 0.00 H new ATOM 930 N ASP A 65 15.321 0.429 -1.255 1.00 0.00 N ATOM 931 CA ASP A 65 15.614 1.571 -2.143 1.00 0.00 C ATOM 932 C ASP A 65 14.333 1.990 -2.885 1.00 0.00 C ATOM 933 O ASP A 65 13.996 3.175 -2.932 1.00 0.00 O ATOM 934 CB ASP A 65 16.738 1.192 -3.135 1.00 0.00 C ATOM 935 CG ASP A 65 17.162 2.346 -4.058 1.00 0.00 C ATOM 936 OD1 ASP A 65 17.880 3.263 -3.599 1.00 0.00 O ATOM 937 OD2 ASP A 65 16.795 2.342 -5.249 1.00 0.00 O ATOM 0 H ASP A 65 15.734 -0.450 -1.566 1.00 0.00 H new ATOM 0 HA ASP A 65 15.959 2.418 -1.550 1.00 0.00 H new ATOM 0 HB2 ASP A 65 17.607 0.850 -2.573 1.00 0.00 H new ATOM 0 HB3 ASP A 65 16.404 0.354 -3.746 1.00 0.00 H new ATOM 942 N GLU A 66 13.638 0.983 -3.472 1.00 0.00 N ATOM 943 CA GLU A 66 12.277 1.165 -4.041 1.00 0.00 C ATOM 944 C GLU A 66 11.299 1.769 -3.009 1.00 0.00 C ATOM 945 O GLU A 66 10.414 2.554 -3.367 1.00 0.00 O ATOM 946 CB GLU A 66 11.686 -0.170 -4.588 1.00 0.00 C ATOM 947 CG GLU A 66 12.594 -0.951 -5.560 1.00 0.00 C ATOM 948 CD GLU A 66 13.190 -0.093 -6.693 1.00 0.00 C ATOM 949 OE1 GLU A 66 12.432 0.614 -7.380 1.00 0.00 O ATOM 950 OE2 GLU A 66 14.415 -0.147 -6.914 1.00 0.00 O ATOM 0 H GLU A 66 13.999 0.033 -3.564 1.00 0.00 H new ATOM 0 HA GLU A 66 12.391 1.862 -4.871 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.449 -0.815 -3.742 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.746 0.050 -5.094 1.00 0.00 H new ATOM 0 HG2 GLU A 66 13.409 -1.403 -4.995 1.00 0.00 H new ATOM 0 HG3 GLU A 66 12.020 -1.767 -6.000 1.00 0.00 H new ATOM 957 N VAL A 67 11.475 1.389 -1.732 1.00 0.00 N ATOM 958 CA VAL A 67 10.679 1.929 -0.616 1.00 0.00 C ATOM 959 C VAL A 67 10.870 3.451 -0.497 1.00 0.00 C ATOM 960 O VAL A 67 9.893 4.188 -0.432 1.00 0.00 O ATOM 961 CB VAL A 67 11.020 1.199 0.738 1.00 0.00 C ATOM 962 CG1 VAL A 67 10.480 1.961 1.962 1.00 0.00 C ATOM 963 CG2 VAL A 67 10.499 -0.261 0.721 1.00 0.00 C ATOM 0 H VAL A 67 12.171 0.701 -1.445 1.00 0.00 H new ATOM 0 HA VAL A 67 9.627 1.739 -0.830 1.00 0.00 H new ATOM 0 HB VAL A 67 12.106 1.179 0.829 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.740 1.419 2.871 1.00 0.00 H new ATOM 0 HG12 VAL A 67 10.921 2.957 1.994 1.00 0.00 H new ATOM 0 HG13 VAL A 67 9.396 2.047 1.888 1.00 0.00 H new ATOM 0 HG21 VAL A 67 10.745 -0.746 1.665 1.00 0.00 H new ATOM 0 HG22 VAL A 67 9.418 -0.260 0.585 1.00 0.00 H new ATOM 0 HG23 VAL A 67 10.967 -0.805 -0.099 1.00 0.00 H new ATOM 973 N LYS A 68 12.133 3.895 -0.498 1.00 0.00 N ATOM 974 CA LYS A 68 12.498 5.330 -0.420 1.00 0.00 C ATOM 975 C LYS A 68 11.913 6.149 -1.604 1.00 0.00 C ATOM 976 O LYS A 68 11.497 7.302 -1.420 1.00 0.00 O ATOM 977 CB LYS A 68 14.042 5.459 -0.357 1.00 0.00 C ATOM 978 CG LYS A 68 14.681 4.711 0.832 1.00 0.00 C ATOM 979 CD LYS A 68 16.226 4.683 0.783 1.00 0.00 C ATOM 980 CE LYS A 68 16.832 3.835 1.921 1.00 0.00 C ATOM 981 NZ LYS A 68 18.315 3.868 1.911 1.00 0.00 N ATOM 0 H LYS A 68 12.940 3.273 -0.553 1.00 0.00 H new ATOM 0 HA LYS A 68 12.061 5.749 0.486 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.467 5.078 -1.285 1.00 0.00 H new ATOM 0 HB3 LYS A 68 14.307 6.514 -0.295 1.00 0.00 H new ATOM 0 HG2 LYS A 68 14.363 5.183 1.762 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.307 3.687 0.851 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.550 4.283 -0.178 1.00 0.00 H new ATOM 0 HD3 LYS A 68 16.608 5.702 0.849 1.00 0.00 H new ATOM 0 HE2 LYS A 68 16.468 4.203 2.880 1.00 0.00 H new ATOM 0 HE3 LYS A 68 16.492 2.804 1.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 18.680 3.286 2.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 18.664 3.493 1.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 18.641 4.848 2.029 1.00 0.00 H new ATOM 995 N LEU A 69 11.877 5.534 -2.803 1.00 0.00 N ATOM 996 CA LEU A 69 11.242 6.128 -4.010 1.00 0.00 C ATOM 997 C LEU A 69 9.721 6.322 -3.811 1.00 0.00 C ATOM 998 O LEU A 69 9.158 7.346 -4.193 1.00 0.00 O ATOM 999 CB LEU A 69 11.505 5.225 -5.243 1.00 0.00 C ATOM 1000 CG LEU A 69 12.999 5.033 -5.642 1.00 0.00 C ATOM 1001 CD1 LEU A 69 13.137 4.016 -6.796 1.00 0.00 C ATOM 1002 CD2 LEU A 69 13.658 6.388 -5.988 1.00 0.00 C ATOM 0 H LEU A 69 12.285 4.614 -2.968 1.00 0.00 H new ATOM 0 HA LEU A 69 11.686 7.110 -4.176 1.00 0.00 H new ATOM 0 HB2 LEU A 69 11.072 4.244 -5.049 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.973 5.645 -6.096 1.00 0.00 H new ATOM 0 HG LEU A 69 13.531 4.623 -4.783 1.00 0.00 H new ATOM 0 HD11 LEU A 69 14.189 3.900 -7.055 1.00 0.00 H new ATOM 0 HD12 LEU A 69 12.732 3.053 -6.483 1.00 0.00 H new ATOM 0 HD13 LEU A 69 12.587 4.375 -7.665 1.00 0.00 H new ATOM 0 HD21 LEU A 69 14.700 6.226 -6.263 1.00 0.00 H new ATOM 0 HD22 LEU A 69 13.129 6.847 -6.823 1.00 0.00 H new ATOM 0 HD23 LEU A 69 13.610 7.048 -5.122 1.00 0.00 H new ATOM 1014 N ALA A 70 9.078 5.298 -3.242 1.00 0.00 N ATOM 1015 CA ALA A 70 7.660 5.368 -2.830 1.00 0.00 C ATOM 1016 C ALA A 70 7.434 6.513 -1.803 1.00 0.00 C ATOM 1017 O ALA A 70 6.504 7.318 -1.950 1.00 0.00 O ATOM 1018 CB ALA A 70 7.205 4.016 -2.260 1.00 0.00 C ATOM 0 H ALA A 70 9.518 4.398 -3.052 1.00 0.00 H new ATOM 0 HA ALA A 70 7.056 5.591 -3.709 1.00 0.00 H new ATOM 0 HB1 ALA A 70 6.159 4.081 -1.960 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.317 3.244 -3.021 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.816 3.762 -1.393 1.00 0.00 H new ATOM 1024 N LEU A 71 8.324 6.578 -0.784 1.00 0.00 N ATOM 1025 CA LEU A 71 8.266 7.576 0.317 1.00 0.00 C ATOM 1026 C LEU A 71 8.425 9.021 -0.175 1.00 0.00 C ATOM 1027 O LEU A 71 7.869 9.936 0.427 1.00 0.00 O ATOM 1028 CB LEU A 71 9.357 7.281 1.391 1.00 0.00 C ATOM 1029 CG LEU A 71 9.246 5.915 2.126 1.00 0.00 C ATOM 1030 CD1 LEU A 71 10.346 5.762 3.197 1.00 0.00 C ATOM 1031 CD2 LEU A 71 7.835 5.712 2.710 1.00 0.00 C ATOM 0 H LEU A 71 9.111 5.934 -0.700 1.00 0.00 H new ATOM 0 HA LEU A 71 7.273 7.480 0.756 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.334 7.333 0.910 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.327 8.075 2.137 1.00 0.00 H new ATOM 0 HG LEU A 71 9.407 5.125 1.393 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.240 4.797 3.692 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.326 5.821 2.723 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.250 6.560 3.933 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.787 4.749 3.218 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.618 6.509 3.421 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.101 5.735 1.904 1.00 0.00 H new ATOM 1043 N LYS A 72 9.177 9.230 -1.264 1.00 0.00 N ATOM 1044 CA LYS A 72 9.412 10.597 -1.790 1.00 0.00 C ATOM 1045 C LYS A 72 8.187 11.094 -2.594 1.00 0.00 C ATOM 1046 O LYS A 72 8.079 12.285 -2.909 1.00 0.00 O ATOM 1047 CB LYS A 72 10.726 10.680 -2.617 1.00 0.00 C ATOM 1048 CG LYS A 72 10.680 10.057 -4.024 1.00 0.00 C ATOM 1049 CD LYS A 72 12.015 10.204 -4.789 1.00 0.00 C ATOM 1050 CE LYS A 72 12.488 11.667 -4.909 1.00 0.00 C ATOM 1051 NZ LYS A 72 13.738 11.793 -5.687 1.00 0.00 N ATOM 0 H LYS A 72 9.630 8.488 -1.797 1.00 0.00 H new ATOM 0 HA LYS A 72 9.540 11.265 -0.938 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.004 11.729 -2.715 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.519 10.192 -2.051 1.00 0.00 H new ATOM 0 HG2 LYS A 72 10.429 9.000 -3.940 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.883 10.529 -4.599 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.783 9.621 -4.281 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.902 9.782 -5.788 1.00 0.00 H new ATOM 0 HE2 LYS A 72 11.707 12.261 -5.383 1.00 0.00 H new ATOM 0 HE3 LYS A 72 12.641 12.080 -3.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 14.015 12.794 -5.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.493 11.249 -5.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 13.587 11.425 -6.648 1.00 0.00 H new ATOM 1065 N LYS A 73 7.263 10.166 -2.920 1.00 0.00 N ATOM 1066 CA LYS A 73 5.979 10.480 -3.590 1.00 0.00 C ATOM 1067 C LYS A 73 4.841 10.669 -2.554 1.00 0.00 C ATOM 1068 O LYS A 73 3.674 10.856 -2.925 1.00 0.00 O ATOM 1069 CB LYS A 73 5.649 9.353 -4.609 1.00 0.00 C ATOM 1070 CG LYS A 73 6.790 9.092 -5.618 1.00 0.00 C ATOM 1071 CD LYS A 73 6.472 7.992 -6.653 1.00 0.00 C ATOM 1072 CE LYS A 73 5.324 8.387 -7.598 1.00 0.00 C ATOM 1073 NZ LYS A 73 5.248 7.502 -8.777 1.00 0.00 N ATOM 0 H LYS A 73 7.385 9.172 -2.726 1.00 0.00 H new ATOM 0 HA LYS A 73 6.071 11.423 -4.128 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.435 8.432 -4.066 1.00 0.00 H new ATOM 0 HB3 LYS A 73 4.744 9.619 -5.155 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.014 10.019 -6.145 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.689 8.812 -5.070 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.366 7.781 -7.240 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.209 7.072 -6.131 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.379 8.350 -7.056 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.463 9.417 -7.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.648 7.990 -9.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.788 6.632 -8.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.254 7.259 -8.966 1.00 0.00 H new ATOM 1087 N ASP A 74 5.200 10.602 -1.253 1.00 0.00 N ATOM 1088 CA ASP A 74 4.311 10.994 -0.129 1.00 0.00 C ATOM 1089 C ASP A 74 3.970 12.495 -0.245 1.00 0.00 C ATOM 1090 O ASP A 74 4.707 13.338 0.272 1.00 0.00 O ATOM 1091 CB ASP A 74 5.014 10.660 1.226 1.00 0.00 C ATOM 1092 CG ASP A 74 4.356 11.259 2.491 1.00 0.00 C ATOM 1093 OD1 ASP A 74 3.391 10.679 3.016 1.00 0.00 O ATOM 1094 OD2 ASP A 74 4.838 12.307 2.986 1.00 0.00 O ATOM 0 H ASP A 74 6.117 10.274 -0.949 1.00 0.00 H new ATOM 0 HA ASP A 74 3.376 10.435 -0.169 1.00 0.00 H new ATOM 0 HB2 ASP A 74 5.051 9.576 1.337 1.00 0.00 H new ATOM 0 HB3 ASP A 74 6.045 11.010 1.175 1.00 0.00 H new ATOM 1099 N ARG A 75 2.857 12.796 -0.965 1.00 0.00 N ATOM 1100 CA ARG A 75 2.420 14.173 -1.319 1.00 0.00 C ATOM 1101 C ARG A 75 1.364 14.152 -2.441 1.00 0.00 C ATOM 1102 O ARG A 75 0.287 14.737 -2.297 1.00 0.00 O ATOM 1103 CB ARG A 75 3.593 15.142 -1.728 1.00 0.00 C ATOM 1104 CG ARG A 75 4.508 14.665 -2.887 1.00 0.00 C ATOM 1105 CD ARG A 75 5.685 15.626 -3.136 1.00 0.00 C ATOM 1106 NE ARG A 75 6.480 15.840 -1.912 1.00 0.00 N ATOM 1107 CZ ARG A 75 7.298 16.877 -1.687 1.00 0.00 C ATOM 1108 NH1 ARG A 75 7.463 17.827 -2.601 1.00 0.00 N ATOM 1109 NH2 ARG A 75 7.939 16.964 -0.535 1.00 0.00 N ATOM 0 H ARG A 75 2.228 12.077 -1.322 1.00 0.00 H new ATOM 0 HA ARG A 75 1.988 14.570 -0.401 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.161 16.103 -2.007 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.215 15.315 -0.850 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.895 13.672 -2.656 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.918 14.573 -3.799 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.325 15.222 -3.920 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.305 16.582 -3.495 1.00 0.00 H new ATOM 0 HE ARG A 75 6.400 15.140 -1.175 1.00 0.00 H new ATOM 0 HH11 ARG A 75 6.963 17.773 -3.489 1.00 0.00 H new ATOM 0 HH12 ARG A 75 8.089 18.610 -2.415 1.00 0.00 H new ATOM 0 HH21 ARG A 75 7.810 16.244 0.176 1.00 0.00 H new ATOM 0 HH22 ARG A 75 8.563 17.751 -0.357 1.00 0.00 H new ATOM 1123 N GLU A 76 1.680 13.466 -3.554 1.00 0.00 N ATOM 1124 CA GLU A 76 0.923 13.597 -4.818 1.00 0.00 C ATOM 1125 C GLU A 76 -0.440 12.877 -4.772 1.00 0.00 C ATOM 1126 O GLU A 76 -0.721 12.090 -3.866 1.00 0.00 O ATOM 1127 CB GLU A 76 1.776 13.126 -6.030 1.00 0.00 C ATOM 1128 CG GLU A 76 2.398 11.733 -5.890 1.00 0.00 C ATOM 1129 CD GLU A 76 3.045 11.219 -7.186 1.00 0.00 C ATOM 1130 OE1 GLU A 76 4.133 11.711 -7.559 1.00 0.00 O ATOM 1131 OE2 GLU A 76 2.460 10.336 -7.852 1.00 0.00 O ATOM 0 H GLU A 76 2.460 12.810 -3.606 1.00 0.00 H new ATOM 0 HA GLU A 76 0.705 14.657 -4.948 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.149 13.138 -6.921 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.576 13.848 -6.193 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.151 11.757 -5.102 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.628 11.030 -5.574 1.00 0.00 H new ATOM 1138 N THR A 77 -1.254 13.139 -5.808 1.00 0.00 N ATOM 1139 CA THR A 77 -2.701 12.879 -5.801 1.00 0.00 C ATOM 1140 C THR A 77 -3.128 11.773 -6.785 1.00 0.00 C ATOM 1141 O THR A 77 -2.622 11.683 -7.912 1.00 0.00 O ATOM 1142 CB THR A 77 -3.477 14.203 -6.112 1.00 0.00 C ATOM 1143 OG1 THR A 77 -2.900 14.850 -7.262 1.00 0.00 O ATOM 1144 CG2 THR A 77 -3.447 15.168 -4.921 1.00 0.00 C ATOM 0 H THR A 77 -0.921 13.542 -6.684 1.00 0.00 H new ATOM 0 HA THR A 77 -2.952 12.518 -4.803 1.00 0.00 H new ATOM 0 HB THR A 77 -4.515 13.939 -6.313 1.00 0.00 H new ATOM 0 HG1 THR A 77 -3.391 15.677 -7.453 1.00 0.00 H new ATOM 0 HG21 THR A 77 -3.995 16.075 -5.174 1.00 0.00 H new ATOM 0 HG22 THR A 77 -3.910 14.693 -4.056 1.00 0.00 H new ATOM 0 HG23 THR A 77 -2.414 15.423 -4.685 1.00 0.00 H new ATOM 1152 N MET A 78 -4.066 10.931 -6.308 1.00 0.00 N ATOM 1153 CA MET A 78 -4.788 9.931 -7.111 1.00 0.00 C ATOM 1154 C MET A 78 -6.216 10.459 -7.403 1.00 0.00 C ATOM 1155 O MET A 78 -7.208 9.973 -6.848 1.00 0.00 O ATOM 1156 CB MET A 78 -4.797 8.554 -6.363 1.00 0.00 C ATOM 1157 CG MET A 78 -5.436 7.382 -7.135 1.00 0.00 C ATOM 1158 SD MET A 78 -5.328 5.801 -6.266 1.00 0.00 S ATOM 1159 CE MET A 78 -3.560 5.531 -6.260 1.00 0.00 C ATOM 0 H MET A 78 -4.348 10.930 -5.328 1.00 0.00 H new ATOM 0 HA MET A 78 -4.289 9.769 -8.066 1.00 0.00 H new ATOM 0 HB2 MET A 78 -3.769 8.287 -6.118 1.00 0.00 H new ATOM 0 HB3 MET A 78 -5.328 8.677 -5.419 1.00 0.00 H new ATOM 0 HG2 MET A 78 -6.484 7.612 -7.326 1.00 0.00 H new ATOM 0 HG3 MET A 78 -4.949 7.288 -8.105 1.00 0.00 H new ATOM 0 HE1 MET A 78 -3.333 4.618 -5.710 1.00 0.00 H new ATOM 0 HE2 MET A 78 -3.203 5.435 -7.285 1.00 0.00 H new ATOM 0 HE3 MET A 78 -3.065 6.376 -5.781 1.00 0.00 H new ATOM 1169 N GLY A 79 -6.287 11.533 -8.217 1.00 0.00 N ATOM 1170 CA GLY A 79 -7.562 12.111 -8.661 1.00 0.00 C ATOM 1171 C GLY A 79 -8.203 12.969 -7.576 1.00 0.00 C ATOM 1172 O GLY A 79 -9.308 12.669 -7.117 1.00 0.00 O ATOM 0 H GLY A 79 -5.466 12.017 -8.580 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.396 12.716 -9.552 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.246 11.310 -8.942 1.00 0.00 H new ATOM 1176 N HIS A 80 -7.446 14.001 -7.131 1.00 0.00 N ATOM 1177 CA HIS A 80 -7.788 14.905 -5.991 1.00 0.00 C ATOM 1178 C HIS A 80 -7.647 14.211 -4.612 1.00 0.00 C ATOM 1179 O HIS A 80 -7.762 14.870 -3.575 1.00 0.00 O ATOM 1180 CB HIS A 80 -9.184 15.585 -6.137 1.00 0.00 C ATOM 1181 CG HIS A 80 -9.238 16.653 -7.197 1.00 0.00 C ATOM 1182 ND1 HIS A 80 -9.944 16.520 -8.365 1.00 0.00 N ATOM 1183 CD2 HIS A 80 -8.681 17.892 -7.238 1.00 0.00 C ATOM 1184 CE1 HIS A 80 -9.817 17.617 -9.084 1.00 0.00 C ATOM 1185 NE2 HIS A 80 -9.058 18.467 -8.424 1.00 0.00 N ATOM 0 H HIS A 80 -6.554 14.240 -7.564 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.045 15.701 -6.034 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -9.926 14.821 -6.368 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -9.465 16.024 -5.179 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -8.058 18.340 -6.478 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -10.261 17.790 -10.053 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -8.794 19.399 -8.743 1.00 0.00 H new ATOM 1194 N ARG A 81 -7.406 12.895 -4.612 1.00 0.00 N ATOM 1195 CA ARG A 81 -7.102 12.127 -3.402 1.00 0.00 C ATOM 1196 C ARG A 81 -5.646 12.380 -3.028 1.00 0.00 C ATOM 1197 O ARG A 81 -4.758 11.882 -3.694 1.00 0.00 O ATOM 1198 CB ARG A 81 -7.364 10.605 -3.656 1.00 0.00 C ATOM 1199 CG ARG A 81 -8.835 10.166 -3.517 1.00 0.00 C ATOM 1200 CD ARG A 81 -9.318 10.269 -2.064 1.00 0.00 C ATOM 1201 NE ARG A 81 -10.688 9.758 -1.867 1.00 0.00 N ATOM 1202 CZ ARG A 81 -11.207 9.408 -0.685 1.00 0.00 C ATOM 1203 NH1 ARG A 81 -10.457 9.416 0.412 1.00 0.00 N ATOM 1204 NH2 ARG A 81 -12.471 9.037 -0.610 1.00 0.00 N ATOM 0 H ARG A 81 -7.417 12.329 -5.461 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.745 12.440 -2.579 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.019 10.355 -4.659 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -6.760 10.026 -2.957 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.463 10.788 -4.155 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -8.944 9.139 -3.866 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -8.635 9.714 -1.421 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -9.277 11.311 -1.748 1.00 0.00 H new ATOM 0 HE ARG A 81 -11.282 9.665 -2.691 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -9.476 9.691 0.357 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -10.862 9.147 1.309 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -13.048 9.018 -1.451 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -12.871 8.769 0.289 1.00 0.00 H new ATOM 1218 N TYR A 82 -5.413 13.190 -1.989 1.00 0.00 N ATOM 1219 CA TYR A 82 -4.060 13.439 -1.465 1.00 0.00 C ATOM 1220 C TYR A 82 -3.527 12.126 -0.868 1.00 0.00 C ATOM 1221 O TYR A 82 -4.059 11.644 0.142 1.00 0.00 O ATOM 1222 CB TYR A 82 -4.096 14.568 -0.398 1.00 0.00 C ATOM 1223 CG TYR A 82 -2.713 15.089 0.036 1.00 0.00 C ATOM 1224 CD1 TYR A 82 -1.937 14.414 0.984 1.00 0.00 C ATOM 1225 CD2 TYR A 82 -2.184 16.263 -0.513 1.00 0.00 C ATOM 1226 CE1 TYR A 82 -0.697 14.886 1.362 1.00 0.00 C ATOM 1227 CE2 TYR A 82 -0.942 16.739 -0.135 1.00 0.00 C ATOM 1228 CZ TYR A 82 -0.204 16.045 0.803 1.00 0.00 C ATOM 1229 OH TYR A 82 1.035 16.504 1.183 1.00 0.00 O ATOM 0 H TYR A 82 -6.149 13.689 -1.489 1.00 0.00 H new ATOM 0 HA TYR A 82 -3.397 13.769 -2.265 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -4.676 15.403 -0.792 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.623 14.200 0.482 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -2.316 13.506 1.429 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -2.758 16.809 -1.247 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -0.114 14.348 2.095 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -0.552 17.647 -0.570 1.00 0.00 H new ATOM 0 HH TYR A 82 1.240 17.331 0.698 1.00 0.00 H new ATOM 1239 N VAL A 83 -2.497 11.539 -1.497 1.00 0.00 N ATOM 1240 CA VAL A 83 -1.995 10.214 -1.122 1.00 0.00 C ATOM 1241 C VAL A 83 -0.692 10.379 -0.327 1.00 0.00 C ATOM 1242 O VAL A 83 0.199 11.154 -0.710 1.00 0.00 O ATOM 1243 CB VAL A 83 -1.761 9.295 -2.377 1.00 0.00 C ATOM 1244 CG1 VAL A 83 -1.207 7.907 -1.966 1.00 0.00 C ATOM 1245 CG2 VAL A 83 -3.057 9.149 -3.213 1.00 0.00 C ATOM 0 H VAL A 83 -1.994 11.968 -2.274 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.748 9.723 -0.506 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.011 9.779 -3.002 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.057 7.297 -2.857 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.256 8.034 -1.448 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.918 7.413 -1.304 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.865 8.508 -4.074 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.839 8.704 -2.597 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.381 10.131 -3.557 1.00 0.00 H new ATOM 1255 N GLU A 84 -0.623 9.652 0.788 1.00 0.00 N ATOM 1256 CA GLU A 84 0.478 9.682 1.739 1.00 0.00 C ATOM 1257 C GLU A 84 1.106 8.280 1.817 1.00 0.00 C ATOM 1258 O GLU A 84 0.396 7.288 1.985 1.00 0.00 O ATOM 1259 CB GLU A 84 -0.059 10.120 3.121 1.00 0.00 C ATOM 1260 CG GLU A 84 -0.723 11.507 3.147 1.00 0.00 C ATOM 1261 CD GLU A 84 -1.273 11.862 4.538 1.00 0.00 C ATOM 1262 OE1 GLU A 84 -0.513 12.371 5.377 1.00 0.00 O ATOM 1263 OE2 GLU A 84 -2.456 11.584 4.815 1.00 0.00 O ATOM 0 H GLU A 84 -1.362 9.003 1.060 1.00 0.00 H new ATOM 0 HA GLU A 84 1.240 10.393 1.420 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.782 9.380 3.465 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.766 10.115 3.834 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.003 12.261 2.842 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.535 11.533 2.420 1.00 0.00 H new ATOM 1270 N VAL A 85 2.433 8.217 1.698 1.00 0.00 N ATOM 1271 CA VAL A 85 3.187 6.959 1.658 1.00 0.00 C ATOM 1272 C VAL A 85 4.133 6.919 2.860 1.00 0.00 C ATOM 1273 O VAL A 85 5.028 7.754 2.962 1.00 0.00 O ATOM 1274 CB VAL A 85 4.013 6.809 0.325 1.00 0.00 C ATOM 1275 CG1 VAL A 85 4.631 5.391 0.214 1.00 0.00 C ATOM 1276 CG2 VAL A 85 3.155 7.161 -0.923 1.00 0.00 C ATOM 0 H VAL A 85 3.023 9.046 1.626 1.00 0.00 H new ATOM 0 HA VAL A 85 2.480 6.131 1.696 1.00 0.00 H new ATOM 0 HB VAL A 85 4.833 7.526 0.359 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.196 5.312 -0.715 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.296 5.217 1.060 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.835 4.646 0.219 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.758 7.046 -1.824 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.296 6.492 -0.974 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.809 8.192 -0.847 1.00 0.00 H new ATOM 1286 N PHE A 86 3.928 5.954 3.772 1.00 0.00 N ATOM 1287 CA PHE A 86 4.745 5.799 4.995 1.00 0.00 C ATOM 1288 C PHE A 86 5.346 4.401 4.990 1.00 0.00 C ATOM 1289 O PHE A 86 4.639 3.443 4.664 1.00 0.00 O ATOM 1290 CB PHE A 86 3.887 5.990 6.273 1.00 0.00 C ATOM 1291 CG PHE A 86 3.032 7.249 6.257 1.00 0.00 C ATOM 1292 CD1 PHE A 86 3.609 8.508 6.395 1.00 0.00 C ATOM 1293 CD2 PHE A 86 1.648 7.172 6.099 1.00 0.00 C ATOM 1294 CE1 PHE A 86 2.832 9.649 6.377 1.00 0.00 C ATOM 1295 CE2 PHE A 86 0.876 8.312 6.084 1.00 0.00 C ATOM 1296 CZ PHE A 86 1.468 9.551 6.223 1.00 0.00 C ATOM 0 H PHE A 86 3.190 5.256 3.685 1.00 0.00 H new ATOM 0 HA PHE A 86 5.527 6.559 5.002 1.00 0.00 H new ATOM 0 HB2 PHE A 86 3.238 5.123 6.396 1.00 0.00 H new ATOM 0 HB3 PHE A 86 4.546 6.021 7.141 1.00 0.00 H new ATOM 0 HD1 PHE A 86 4.679 8.593 6.518 1.00 0.00 H new ATOM 0 HD2 PHE A 86 1.177 6.207 5.987 1.00 0.00 H new ATOM 0 HE1 PHE A 86 3.295 10.619 6.484 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -0.195 8.237 5.963 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.861 10.444 6.211 1.00 0.00 H new ATOM 1306 N LYS A 87 6.629 4.269 5.361 1.00 0.00 N ATOM 1307 CA LYS A 87 7.308 2.967 5.328 1.00 0.00 C ATOM 1308 C LYS A 87 6.692 2.037 6.379 1.00 0.00 C ATOM 1309 O LYS A 87 6.409 2.456 7.502 1.00 0.00 O ATOM 1310 CB LYS A 87 8.837 3.085 5.555 1.00 0.00 C ATOM 1311 CG LYS A 87 9.572 1.734 5.405 1.00 0.00 C ATOM 1312 CD LYS A 87 11.068 1.785 5.758 1.00 0.00 C ATOM 1313 CE LYS A 87 11.707 0.380 5.758 1.00 0.00 C ATOM 1314 NZ LYS A 87 13.021 0.373 6.426 1.00 0.00 N ATOM 0 H LYS A 87 7.212 5.041 5.684 1.00 0.00 H new ATOM 0 HA LYS A 87 7.165 2.552 4.330 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.251 3.799 4.843 1.00 0.00 H new ATOM 0 HB3 LYS A 87 9.022 3.485 6.552 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.085 0.996 6.043 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.465 1.387 4.377 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.589 2.421 5.042 1.00 0.00 H new ATOM 0 HD3 LYS A 87 11.194 2.241 6.740 1.00 0.00 H new ATOM 0 HE2 LYS A 87 11.041 -0.322 6.260 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.820 0.033 4.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.695 -0.181 5.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 13.368 1.349 6.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 12.928 -0.053 7.370 1.00 0.00 H new ATOM 1328 N SER A 88 6.468 0.799 5.976 1.00 0.00 N ATOM 1329 CA SER A 88 5.839 -0.225 6.798 1.00 0.00 C ATOM 1330 C SER A 88 6.772 -1.426 6.964 1.00 0.00 C ATOM 1331 O SER A 88 7.666 -1.669 6.144 1.00 0.00 O ATOM 1332 CB SER A 88 4.524 -0.648 6.131 1.00 0.00 C ATOM 1333 OG SER A 88 3.678 0.476 5.937 1.00 0.00 O ATOM 0 H SER A 88 6.724 0.468 5.046 1.00 0.00 H new ATOM 0 HA SER A 88 5.633 0.174 7.791 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.733 -1.123 5.172 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.018 -1.389 6.750 1.00 0.00 H new ATOM 0 HG SER A 88 4.088 1.086 5.289 1.00 0.00 H new ATOM 1339 N ASN A 89 6.555 -2.167 8.040 1.00 0.00 N ATOM 1340 CA ASN A 89 7.291 -3.401 8.317 1.00 0.00 C ATOM 1341 C ASN A 89 6.534 -4.580 7.729 1.00 0.00 C ATOM 1342 O ASN A 89 5.329 -4.483 7.475 1.00 0.00 O ATOM 1343 CB ASN A 89 7.495 -3.585 9.841 1.00 0.00 C ATOM 1344 CG ASN A 89 8.231 -2.408 10.458 1.00 0.00 C ATOM 1345 OD1 ASN A 89 7.613 -1.501 11.014 1.00 0.00 O ATOM 1346 ND2 ASN A 89 9.545 -2.380 10.303 1.00 0.00 N ATOM 0 H ASN A 89 5.862 -1.933 8.751 1.00 0.00 H new ATOM 0 HA ASN A 89 8.276 -3.343 7.855 1.00 0.00 H new ATOM 0 HB2 ASN A 89 6.526 -3.702 10.326 1.00 0.00 H new ATOM 0 HB3 ASN A 89 8.056 -4.501 10.025 1.00 0.00 H new ATOM 0 HD21 ASN A 89 10.083 -1.586 10.650 1.00 0.00 H new ATOM 0 HD22 ASN A 89 10.020 -3.153 9.836 1.00 0.00 H new ATOM 1353 N ASN A 90 7.247 -5.687 7.501 1.00 0.00 N ATOM 1354 CA ASN A 90 6.616 -6.987 7.205 1.00 0.00 C ATOM 1355 C ASN A 90 5.835 -7.482 8.442 1.00 0.00 C ATOM 1356 O ASN A 90 4.825 -8.172 8.316 1.00 0.00 O ATOM 1357 CB ASN A 90 7.682 -8.036 6.781 1.00 0.00 C ATOM 1358 CG ASN A 90 8.706 -8.398 7.877 1.00 0.00 C ATOM 1359 OD1 ASN A 90 9.086 -7.559 8.687 1.00 0.00 O ATOM 1360 ND2 ASN A 90 9.150 -9.653 7.899 1.00 0.00 N ATOM 0 H ASN A 90 8.267 -5.714 7.515 1.00 0.00 H new ATOM 0 HA ASN A 90 5.923 -6.857 6.374 1.00 0.00 H new ATOM 0 HB2 ASN A 90 7.171 -8.946 6.466 1.00 0.00 H new ATOM 0 HB3 ASN A 90 8.220 -7.656 5.912 1.00 0.00 H new ATOM 0 HD21 ASN A 90 9.827 -9.942 8.605 1.00 0.00 H new ATOM 0 HD22 ASN A 90 8.813 -10.325 7.210 1.00 0.00 H new ATOM 1367 N VAL A 91 6.346 -7.095 9.629 1.00 0.00 N ATOM 1368 CA VAL A 91 5.741 -7.385 10.943 1.00 0.00 C ATOM 1369 C VAL A 91 4.400 -6.641 11.100 1.00 0.00 C ATOM 1370 O VAL A 91 3.403 -7.227 11.540 1.00 0.00 O ATOM 1371 CB VAL A 91 6.733 -6.987 12.111 1.00 0.00 C ATOM 1372 CG1 VAL A 91 6.108 -7.235 13.507 1.00 0.00 C ATOM 1373 CG2 VAL A 91 8.084 -7.732 11.959 1.00 0.00 C ATOM 0 H VAL A 91 7.211 -6.560 9.701 1.00 0.00 H new ATOM 0 HA VAL A 91 5.549 -8.456 11.002 1.00 0.00 H new ATOM 0 HB VAL A 91 6.923 -5.917 12.033 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.821 -6.949 14.281 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.201 -6.639 13.611 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.862 -8.292 13.613 1.00 0.00 H new ATOM 0 HG21 VAL A 91 8.751 -7.445 12.771 1.00 0.00 H new ATOM 0 HG22 VAL A 91 7.912 -8.808 11.994 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.540 -7.468 11.005 1.00 0.00 H new ATOM 1383 N GLU A 92 4.390 -5.350 10.705 1.00 0.00 N ATOM 1384 CA GLU A 92 3.176 -4.514 10.748 1.00 0.00 C ATOM 1385 C GLU A 92 2.166 -4.989 9.692 1.00 0.00 C ATOM 1386 O GLU A 92 0.985 -5.116 9.983 1.00 0.00 O ATOM 1387 CB GLU A 92 3.496 -3.018 10.512 1.00 0.00 C ATOM 1388 CG GLU A 92 2.244 -2.098 10.552 1.00 0.00 C ATOM 1389 CD GLU A 92 2.493 -0.661 10.093 1.00 0.00 C ATOM 1390 OE1 GLU A 92 3.385 -0.446 9.245 1.00 0.00 O ATOM 1391 OE2 GLU A 92 1.772 0.256 10.549 1.00 0.00 O ATOM 0 H GLU A 92 5.214 -4.864 10.351 1.00 0.00 H new ATOM 0 HA GLU A 92 2.748 -4.618 11.745 1.00 0.00 H new ATOM 0 HB2 GLU A 92 4.206 -2.684 11.268 1.00 0.00 H new ATOM 0 HB3 GLU A 92 3.986 -2.908 9.544 1.00 0.00 H new ATOM 0 HG2 GLU A 92 1.468 -2.536 9.925 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.857 -2.078 11.571 1.00 0.00 H new ATOM 1398 N MET A 93 2.662 -5.242 8.469 1.00 0.00 N ATOM 1399 CA MET A 93 1.840 -5.713 7.326 1.00 0.00 C ATOM 1400 C MET A 93 1.080 -7.001 7.704 1.00 0.00 C ATOM 1401 O MET A 93 -0.132 -7.110 7.494 1.00 0.00 O ATOM 1402 CB MET A 93 2.750 -5.953 6.093 1.00 0.00 C ATOM 1403 CG MET A 93 2.020 -6.393 4.815 1.00 0.00 C ATOM 1404 SD MET A 93 3.136 -6.681 3.423 1.00 0.00 S ATOM 1405 CE MET A 93 4.161 -8.025 4.019 1.00 0.00 C ATOM 0 H MET A 93 3.649 -5.127 8.238 1.00 0.00 H new ATOM 0 HA MET A 93 1.104 -4.949 7.076 1.00 0.00 H new ATOM 0 HB2 MET A 93 3.297 -5.034 5.881 1.00 0.00 H new ATOM 0 HB3 MET A 93 3.489 -6.712 6.349 1.00 0.00 H new ATOM 0 HG2 MET A 93 1.461 -7.306 5.019 1.00 0.00 H new ATOM 0 HG3 MET A 93 1.293 -5.629 4.538 1.00 0.00 H new ATOM 0 HE1 MET A 93 4.311 -8.750 3.219 1.00 0.00 H new ATOM 0 HE2 MET A 93 5.126 -7.632 4.339 1.00 0.00 H new ATOM 0 HE3 MET A 93 3.670 -8.511 4.862 1.00 0.00 H new ATOM 1415 N ASP A 94 1.820 -7.932 8.332 1.00 0.00 N ATOM 1416 CA ASP A 94 1.285 -9.204 8.865 1.00 0.00 C ATOM 1417 C ASP A 94 0.178 -8.923 9.901 1.00 0.00 C ATOM 1418 O ASP A 94 -0.948 -9.418 9.774 1.00 0.00 O ATOM 1419 CB ASP A 94 2.446 -10.009 9.521 1.00 0.00 C ATOM 1420 CG ASP A 94 2.016 -11.330 10.197 1.00 0.00 C ATOM 1421 OD1 ASP A 94 1.914 -12.364 9.496 1.00 0.00 O ATOM 1422 OD2 ASP A 94 1.786 -11.345 11.428 1.00 0.00 O ATOM 0 H ASP A 94 2.822 -7.823 8.487 1.00 0.00 H new ATOM 0 HA ASP A 94 0.853 -9.787 8.052 1.00 0.00 H new ATOM 0 HB2 ASP A 94 3.191 -10.233 8.757 1.00 0.00 H new ATOM 0 HB3 ASP A 94 2.932 -9.378 10.265 1.00 0.00 H new ATOM 1427 N TRP A 95 0.526 -8.062 10.875 1.00 0.00 N ATOM 1428 CA TRP A 95 -0.332 -7.707 12.023 1.00 0.00 C ATOM 1429 C TRP A 95 -1.706 -7.159 11.574 1.00 0.00 C ATOM 1430 O TRP A 95 -2.736 -7.672 11.982 1.00 0.00 O ATOM 1431 CB TRP A 95 0.423 -6.674 12.918 1.00 0.00 C ATOM 1432 CG TRP A 95 -0.414 -5.997 13.984 1.00 0.00 C ATOM 1433 CD1 TRP A 95 -0.867 -4.704 13.977 1.00 0.00 C ATOM 1434 CD2 TRP A 95 -0.915 -6.583 15.194 1.00 0.00 C ATOM 1435 NE1 TRP A 95 -1.610 -4.455 15.094 1.00 0.00 N ATOM 1436 CE2 TRP A 95 -1.657 -5.588 15.858 1.00 0.00 C ATOM 1437 CE3 TRP A 95 -0.820 -7.850 15.773 1.00 0.00 C ATOM 1438 CZ2 TRP A 95 -2.286 -5.820 17.078 1.00 0.00 C ATOM 1439 CZ3 TRP A 95 -1.442 -8.080 16.987 1.00 0.00 C ATOM 1440 CH2 TRP A 95 -2.170 -7.070 17.626 1.00 0.00 C ATOM 0 H TRP A 95 1.427 -7.584 10.887 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.537 -8.610 12.599 1.00 0.00 H new ATOM 0 HB2 TRP A 95 1.256 -7.182 13.404 1.00 0.00 H new ATOM 0 HB3 TRP A 95 0.850 -5.905 12.274 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -0.665 -3.984 13.198 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -2.058 -3.567 15.322 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.270 -8.638 15.281 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -2.846 -5.042 17.575 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -1.365 -9.053 17.448 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -2.650 -7.280 18.570 1.00 0.00 H new ATOM 1451 N VAL A 96 -1.683 -6.136 10.711 1.00 0.00 N ATOM 1452 CA VAL A 96 -2.884 -5.348 10.351 1.00 0.00 C ATOM 1453 C VAL A 96 -3.830 -6.124 9.406 1.00 0.00 C ATOM 1454 O VAL A 96 -5.054 -6.014 9.523 1.00 0.00 O ATOM 1455 CB VAL A 96 -2.496 -3.967 9.724 1.00 0.00 C ATOM 1456 CG1 VAL A 96 -3.742 -3.080 9.470 1.00 0.00 C ATOM 1457 CG2 VAL A 96 -1.460 -3.229 10.607 1.00 0.00 C ATOM 0 H VAL A 96 -0.834 -5.825 10.238 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.424 -5.164 11.280 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.037 -4.167 8.756 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.430 -2.131 9.035 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.418 -3.590 8.783 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -4.255 -2.895 10.414 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.207 -2.273 10.149 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.882 -3.057 11.597 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.560 -3.837 10.697 1.00 0.00 H new ATOM 1467 N LEU A 97 -3.262 -6.918 8.482 1.00 0.00 N ATOM 1468 CA LEU A 97 -4.068 -7.718 7.532 1.00 0.00 C ATOM 1469 C LEU A 97 -4.791 -8.878 8.261 1.00 0.00 C ATOM 1470 O LEU A 97 -5.914 -9.244 7.902 1.00 0.00 O ATOM 1471 CB LEU A 97 -3.175 -8.241 6.376 1.00 0.00 C ATOM 1472 CG LEU A 97 -2.546 -7.137 5.462 1.00 0.00 C ATOM 1473 CD1 LEU A 97 -1.554 -7.746 4.457 1.00 0.00 C ATOM 1474 CD2 LEU A 97 -3.637 -6.289 4.760 1.00 0.00 C ATOM 0 H LEU A 97 -2.254 -7.026 8.370 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.836 -7.076 7.100 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.369 -8.838 6.803 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.770 -8.909 5.753 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.982 -6.458 6.102 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.133 -6.955 3.836 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.752 -8.249 4.997 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.073 -8.466 3.825 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.163 -5.533 4.134 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.258 -6.936 4.140 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.258 -5.801 5.511 1.00 0.00 H new ATOM 1486 N LYS A 98 -4.139 -9.427 9.299 1.00 0.00 N ATOM 1487 CA LYS A 98 -4.682 -10.539 10.120 1.00 0.00 C ATOM 1488 C LYS A 98 -5.507 -10.006 11.316 1.00 0.00 C ATOM 1489 O LYS A 98 -6.402 -10.694 11.827 1.00 0.00 O ATOM 1490 CB LYS A 98 -3.494 -11.426 10.586 1.00 0.00 C ATOM 1491 CG LYS A 98 -2.812 -12.205 9.429 1.00 0.00 C ATOM 1492 CD LYS A 98 -1.378 -12.665 9.755 1.00 0.00 C ATOM 1493 CE LYS A 98 -1.279 -13.578 10.986 1.00 0.00 C ATOM 1494 NZ LYS A 98 0.132 -13.875 11.325 1.00 0.00 N ATOM 0 H LYS A 98 -3.215 -9.115 9.599 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.368 -11.139 9.523 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -2.752 -10.797 11.077 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -3.852 -12.137 11.331 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -3.417 -13.078 9.184 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.789 -11.573 8.541 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -0.971 -13.191 8.892 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -0.753 -11.786 9.916 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -1.766 -13.100 11.836 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -1.813 -14.509 10.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 0.166 -14.494 12.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 0.589 -14.353 10.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 0.634 -12.988 11.531 1.00 0.00 H new ATOM 1508 N HIS A 99 -5.208 -8.769 11.733 1.00 0.00 N ATOM 1509 CA HIS A 99 -5.841 -8.103 12.882 1.00 0.00 C ATOM 1510 C HIS A 99 -5.882 -6.591 12.597 1.00 0.00 C ATOM 1511 O HIS A 99 -4.906 -5.875 12.848 1.00 0.00 O ATOM 1512 CB HIS A 99 -5.067 -8.422 14.195 1.00 0.00 C ATOM 1513 CG HIS A 99 -5.707 -7.860 15.444 1.00 0.00 C ATOM 1514 ND1 HIS A 99 -6.591 -8.577 16.217 1.00 0.00 N ATOM 1515 CD2 HIS A 99 -5.590 -6.647 16.040 1.00 0.00 C ATOM 1516 CE1 HIS A 99 -6.985 -7.841 17.235 1.00 0.00 C ATOM 1517 NE2 HIS A 99 -6.400 -6.661 17.146 1.00 0.00 N ATOM 0 H HIS A 99 -4.505 -8.190 11.273 1.00 0.00 H new ATOM 0 HA HIS A 99 -6.858 -8.470 13.021 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -4.981 -9.504 14.299 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -4.054 -8.029 14.111 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -4.974 -5.825 15.706 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -7.670 -8.150 18.011 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -6.530 -5.885 17.795 1.00 0.00 H new ATOM 1526 N THR A 100 -7.010 -6.145 12.033 1.00 0.00 N ATOM 1527 CA THR A 100 -7.222 -4.758 11.567 1.00 0.00 C ATOM 1528 C THR A 100 -6.930 -3.703 12.663 1.00 0.00 C ATOM 1529 O THR A 100 -7.725 -3.507 13.594 1.00 0.00 O ATOM 1530 CB THR A 100 -8.670 -4.587 11.003 1.00 0.00 C ATOM 1531 OG1 THR A 100 -9.641 -4.991 11.987 1.00 0.00 O ATOM 1532 CG2 THR A 100 -8.870 -5.418 9.728 1.00 0.00 C ATOM 0 H THR A 100 -7.821 -6.745 11.882 1.00 0.00 H new ATOM 0 HA THR A 100 -6.504 -4.579 10.767 1.00 0.00 H new ATOM 0 HB THR A 100 -8.808 -3.533 10.762 1.00 0.00 H new ATOM 0 HG1 THR A 100 -9.364 -4.671 12.871 1.00 0.00 H new ATOM 0 HG21 THR A 100 -9.886 -5.279 9.359 1.00 0.00 H new ATOM 0 HG22 THR A 100 -8.160 -5.094 8.967 1.00 0.00 H new ATOM 0 HG23 THR A 100 -8.706 -6.472 9.951 1.00 0.00 H new ATOM 1540 N GLY A 101 -5.743 -3.077 12.550 1.00 0.00 N ATOM 1541 CA GLY A 101 -5.317 -2.019 13.453 1.00 0.00 C ATOM 1542 C GLY A 101 -3.862 -1.632 13.193 1.00 0.00 C ATOM 1543 O GLY A 101 -2.967 -2.314 13.694 1.00 0.00 O ATOM 0 H GLY A 101 -5.060 -3.299 11.826 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.958 -1.147 13.325 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.431 -2.349 14.486 1.00 0.00 H new ATOM 1547 N PRO A 102 -3.579 -0.570 12.357 1.00 0.00 N ATOM 1548 CA PRO A 102 -2.198 -0.067 12.123 1.00 0.00 C ATOM 1549 C PRO A 102 -1.530 0.405 13.436 1.00 0.00 C ATOM 1550 O PRO A 102 -1.782 1.522 13.905 1.00 0.00 O ATOM 1551 CB PRO A 102 -2.392 1.093 11.097 1.00 0.00 C ATOM 1552 CG PRO A 102 -3.732 0.822 10.470 1.00 0.00 C ATOM 1553 CD PRO A 102 -4.572 0.206 11.568 1.00 0.00 C ATOM 0 HA PRO A 102 -1.525 -0.837 11.745 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -2.374 2.065 11.589 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -1.598 1.099 10.350 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -4.185 1.741 10.098 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.639 0.146 9.620 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -5.063 0.967 12.175 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -5.356 -0.435 11.164 1.00 0.00 H new ATOM 1561 N ASN A 103 -0.726 -0.495 14.039 1.00 0.00 N ATOM 1562 CA ASN A 103 -0.068 -0.265 15.340 1.00 0.00 C ATOM 1563 C ASN A 103 0.975 0.872 15.237 1.00 0.00 C ATOM 1564 O ASN A 103 0.837 1.910 15.892 1.00 0.00 O ATOM 1565 CB ASN A 103 0.574 -1.588 15.861 1.00 0.00 C ATOM 1566 CG ASN A 103 1.410 -1.412 17.136 1.00 0.00 C ATOM 1567 OD1 ASN A 103 2.708 -1.182 16.981 1.00 0.00 O flip ATOM 1568 ND2 ASN A 103 0.894 -1.482 18.250 1.00 0.00 N flip ATOM 0 H ASN A 103 -0.514 -1.407 13.634 1.00 0.00 H new ATOM 0 HA ASN A 103 -0.821 0.051 16.062 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -0.217 -2.313 16.054 1.00 0.00 H new ATOM 0 HB3 ASN A 103 1.206 -2.007 15.078 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -0.106 -1.660 18.338 1.00 0.00 H new ATOM 0 HD22 ASN A 103 1.466 -1.362 19.086 1.00 0.00 H new ATOM 1575 N SER A 104 2.000 0.664 14.393 1.00 0.00 N ATOM 1576 CA SER A 104 3.081 1.645 14.190 1.00 0.00 C ATOM 1577 C SER A 104 3.838 1.332 12.879 1.00 0.00 C ATOM 1578 O SER A 104 4.241 0.181 12.675 1.00 0.00 O ATOM 1579 CB SER A 104 4.064 1.625 15.390 1.00 0.00 C ATOM 1580 OG SER A 104 4.633 0.332 15.580 1.00 0.00 O ATOM 0 H SER A 104 2.103 -0.184 13.835 1.00 0.00 H new ATOM 0 HA SER A 104 2.641 2.640 14.119 1.00 0.00 H new ATOM 0 HB2 SER A 104 4.859 2.352 15.222 1.00 0.00 H new ATOM 0 HB3 SER A 104 3.540 1.929 16.296 1.00 0.00 H new ATOM 0 HG SER A 104 4.000 -0.236 16.067 1.00 0.00 H new ATOM 1586 N PRO A 105 4.042 2.338 11.970 1.00 0.00 N ATOM 1587 CA PRO A 105 4.886 2.160 10.760 1.00 0.00 C ATOM 1588 C PRO A 105 6.377 2.006 11.123 1.00 0.00 C ATOM 1589 O PRO A 105 6.758 2.196 12.293 1.00 0.00 O ATOM 1590 CB PRO A 105 4.614 3.460 9.956 1.00 0.00 C ATOM 1591 CG PRO A 105 4.275 4.472 11.004 1.00 0.00 C ATOM 1592 CD PRO A 105 3.476 3.711 12.038 1.00 0.00 C ATOM 0 HA PRO A 105 4.650 1.256 10.199 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.488 3.762 9.378 1.00 0.00 H new ATOM 0 HB3 PRO A 105 3.795 3.328 9.249 1.00 0.00 H new ATOM 0 HG2 PRO A 105 5.175 4.905 11.441 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.696 5.295 10.585 1.00 0.00 H new ATOM 0 HD2 PRO A 105 3.590 4.144 13.032 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.411 3.718 11.808 1.00 0.00 H new ATOM 1600 N ASP A 106 7.209 1.645 10.128 1.00 0.00 N ATOM 1601 CA ASP A 106 8.674 1.595 10.297 1.00 0.00 C ATOM 1602 C ASP A 106 9.178 3.018 10.574 1.00 0.00 C ATOM 1603 O ASP A 106 9.305 3.842 9.651 1.00 0.00 O ATOM 1604 CB ASP A 106 9.358 0.996 9.045 1.00 0.00 C ATOM 1605 CG ASP A 106 10.890 0.797 9.200 1.00 0.00 C ATOM 1606 OD1 ASP A 106 11.659 1.784 9.103 1.00 0.00 O ATOM 1607 OD2 ASP A 106 11.343 -0.347 9.372 1.00 0.00 O ATOM 0 H ASP A 106 6.890 1.383 9.195 1.00 0.00 H new ATOM 0 HA ASP A 106 8.925 0.947 11.136 1.00 0.00 H new ATOM 0 HB2 ASP A 106 8.898 0.035 8.817 1.00 0.00 H new ATOM 0 HB3 ASP A 106 9.171 1.650 8.193 1.00 0.00 H new ATOM 1612 N THR A 107 9.384 3.301 11.859 1.00 0.00 N ATOM 1613 CA THR A 107 9.787 4.606 12.352 1.00 0.00 C ATOM 1614 C THR A 107 11.284 4.827 12.092 1.00 0.00 C ATOM 1615 O THR A 107 12.133 4.299 12.828 1.00 0.00 O ATOM 1616 CB THR A 107 9.443 4.722 13.877 1.00 0.00 C ATOM 1617 OG1 THR A 107 9.983 3.595 14.594 1.00 0.00 O ATOM 1618 CG2 THR A 107 7.920 4.786 14.123 1.00 0.00 C ATOM 0 H THR A 107 9.271 2.609 12.600 1.00 0.00 H new ATOM 0 HA THR A 107 9.240 5.385 11.821 1.00 0.00 H new ATOM 0 HB THR A 107 9.889 5.649 14.236 1.00 0.00 H new ATOM 0 HG1 THR A 107 10.844 3.339 14.201 1.00 0.00 H new ATOM 0 HG21 THR A 107 7.727 4.866 15.193 1.00 0.00 H new ATOM 0 HG22 THR A 107 7.505 5.656 13.614 1.00 0.00 H new ATOM 0 HG23 THR A 107 7.451 3.881 13.736 1.00 0.00 H new ATOM 1626 N ALA A 108 11.594 5.554 10.997 1.00 0.00 N ATOM 1627 CA ALA A 108 12.974 5.906 10.628 1.00 0.00 C ATOM 1628 C ALA A 108 13.560 6.902 11.649 1.00 0.00 C ATOM 1629 O ALA A 108 13.490 8.120 11.464 1.00 0.00 O ATOM 1630 CB ALA A 108 13.045 6.468 9.192 1.00 0.00 C ATOM 0 H ALA A 108 10.893 5.911 10.348 1.00 0.00 H new ATOM 0 HA ALA A 108 13.577 4.998 10.648 1.00 0.00 H new ATOM 0 HB1 ALA A 108 14.078 6.718 8.950 1.00 0.00 H new ATOM 0 HB2 ALA A 108 12.679 5.719 8.490 1.00 0.00 H new ATOM 0 HB3 ALA A 108 12.428 7.364 9.121 1.00 0.00 H new ATOM 1636 N ASN A 109 14.073 6.345 12.758 1.00 0.00 N ATOM 1637 CA ASN A 109 14.687 7.110 13.860 1.00 0.00 C ATOM 1638 C ASN A 109 15.932 7.892 13.378 1.00 0.00 C ATOM 1639 O ASN A 109 16.801 7.343 12.694 1.00 0.00 O ATOM 1640 CB ASN A 109 15.045 6.153 15.039 1.00 0.00 C ATOM 1641 CG ASN A 109 16.126 5.090 14.748 1.00 0.00 C ATOM 1642 OD1 ASN A 109 16.217 4.590 13.514 1.00 0.00 O flip ATOM 1643 ND2 ASN A 109 16.870 4.695 15.647 1.00 0.00 N flip ATOM 0 H ASN A 109 14.074 5.338 12.918 1.00 0.00 H new ATOM 0 HA ASN A 109 13.963 7.844 14.215 1.00 0.00 H new ATOM 0 HB2 ASN A 109 15.377 6.758 15.883 1.00 0.00 H new ATOM 0 HB3 ASN A 109 14.136 5.640 15.353 1.00 0.00 H new ATOM 0 HD21 ASN A 109 16.789 5.087 16.585 1.00 0.00 H new ATOM 0 HD22 ASN A 109 17.567 3.976 15.453 1.00 0.00 H new ATOM 1650 N ASP A 110 15.988 9.183 13.731 1.00 0.00 N ATOM 1651 CA ASP A 110 17.077 10.087 13.337 1.00 0.00 C ATOM 1652 C ASP A 110 17.705 10.692 14.601 1.00 0.00 C ATOM 1653 O ASP A 110 17.013 11.365 15.380 1.00 0.00 O ATOM 1654 CB ASP A 110 16.531 11.200 12.410 1.00 0.00 C ATOM 1655 CG ASP A 110 17.636 12.147 11.930 1.00 0.00 C ATOM 1656 OD1 ASP A 110 18.406 11.764 11.025 1.00 0.00 O ATOM 1657 OD2 ASP A 110 17.775 13.260 12.481 1.00 0.00 O ATOM 0 H ASP A 110 15.273 9.633 14.303 1.00 0.00 H new ATOM 0 HA ASP A 110 17.839 9.533 12.789 1.00 0.00 H new ATOM 0 HB2 ASP A 110 16.044 10.746 11.547 1.00 0.00 H new ATOM 0 HB3 ASP A 110 15.770 11.772 12.941 1.00 0.00 H new ATOM 1662 N GLY A 111 19.003 10.439 14.797 1.00 0.00 N ATOM 1663 CA GLY A 111 19.730 10.931 15.961 1.00 0.00 C ATOM 1664 C GLY A 111 21.217 11.080 15.665 1.00 0.00 C ATOM 1665 O GLY A 111 21.983 10.117 15.878 1.00 0.00 O ATOM 1666 OXT GLY A 111 21.625 12.155 15.178 1.00 0.00 O ATOM 0 H GLY A 111 19.573 9.890 14.154 1.00 0.00 H new ATOM 0 HA2 GLY A 111 19.320 11.893 16.268 1.00 0.00 H new ATOM 0 HA3 GLY A 111 19.591 10.244 16.796 1.00 0.00 H new TER 1670 GLY A 111