USER MOD reduce.3.24.130724 H: found=0, std=0, add=968, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 968 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 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -148:sc= -0.136 (180deg=-1.62!) USER MOD Single : A 12 SER OG : rot -31:sc= 0.565 USER MOD Single : A 14 THR OG1 : rot -85:sc= -3.22! USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -38:sc= -1.75! USER MOD Single : A 18 SER OG : rot 48:sc= 0.00351 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 118:sc= -4.31! USER MOD Single : A 32 LYS NZ :NH3+ -155:sc= -0.0208 (180deg=-0.377) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -146:sc= 0.0647 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 176:sc= 0 (180deg=-0.0455) USER MOD Single : A 62 ASN : amide:sc= -1.86 K(o=-1.9,f=-3!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN :FLIP amide:sc= -2.92 F(o=-4.2,f=-2.9) USER MOD Single : A 71 SER OG : rot 50:sc= 0.0355 USER MOD Single : A 74 SER OG : rot 112:sc= -1.63 USER MOD Single : A 80 THR OG1 : rot -79:sc= 1.36 USER MOD Single : A 82 HIS : no HD1:sc= 0.434 K(o=0.43,f=-1.5) USER MOD Single : A 84 SER OG : rot 180:sc= -0.0497 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 154:sc= -0.0849 (180deg=-0.496) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0.0319 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 HIS :FLIP no HD1:sc= -0.347 F(o=-1.6,f=-0.35) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot -38:sc= 0.495 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.126 1.755 16.526 1.00 0.00 N ATOM 2 CA MET A 1 -1.544 0.460 16.970 1.00 0.00 C ATOM 3 C MET A 1 -1.357 -0.493 15.794 1.00 0.00 C ATOM 4 O MET A 1 -2.026 -1.523 15.702 1.00 0.00 O ATOM 5 CB MET A 1 -2.476 -0.161 18.014 1.00 0.00 C ATOM 6 CG MET A 1 -1.747 -0.960 19.081 1.00 0.00 C ATOM 7 SD MET A 1 -2.820 -1.435 20.448 1.00 0.00 S ATOM 8 CE MET A 1 -2.314 -0.257 21.700 1.00 0.00 C ATOM 0 H1 MET A 1 -1.767 2.522 17.129 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.856 1.936 15.538 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.163 1.713 16.600 1.00 0.00 H new ATOM 0 HA MET A 1 -0.561 0.639 17.405 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.050 0.632 18.494 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.191 -0.811 17.510 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.321 -1.856 18.630 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.915 -0.370 19.466 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.890 -0.423 22.610 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.253 -0.386 21.913 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.491 0.756 21.339 1.00 0.00 H new ATOM 20 N LYS A 2 -0.439 -0.145 14.897 1.00 0.00 N ATOM 21 CA LYS A 2 -0.156 -0.967 13.726 1.00 0.00 C ATOM 22 C LYS A 2 -1.358 -1.024 12.787 1.00 0.00 C ATOM 23 O LYS A 2 -2.310 -1.768 13.023 1.00 0.00 O ATOM 24 CB LYS A 2 0.241 -2.383 14.152 1.00 0.00 C ATOM 25 CG LYS A 2 1.384 -2.417 15.153 1.00 0.00 C ATOM 26 CD LYS A 2 2.734 -2.295 14.463 1.00 0.00 C ATOM 27 CE LYS A 2 3.669 -1.372 15.227 1.00 0.00 C ATOM 28 NZ LYS A 2 5.099 -1.676 14.948 1.00 0.00 N ATOM 0 H LYS A 2 0.123 0.704 14.960 1.00 0.00 H new ATOM 0 HA LYS A 2 0.675 -0.508 13.190 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -0.627 -2.880 14.586 1.00 0.00 H new ATOM 0 HB3 LYS A 2 0.526 -2.953 13.268 1.00 0.00 H new ATOM 0 HG2 LYS A 2 1.266 -1.604 15.869 1.00 0.00 H new ATOM 0 HG3 LYS A 2 1.346 -3.348 15.718 1.00 0.00 H new ATOM 0 HD2 LYS A 2 3.188 -3.282 14.373 1.00 0.00 H new ATOM 0 HD3 LYS A 2 2.593 -1.916 13.451 1.00 0.00 H new ATOM 0 HE2 LYS A 2 3.458 -0.337 14.957 1.00 0.00 H new ATOM 0 HE3 LYS A 2 3.479 -1.467 16.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 5.704 -1.025 15.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 5.307 -2.655 15.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 5.287 -1.560 13.932 1.00 0.00 H new ATOM 42 N ARG A 3 -1.302 -0.234 11.721 1.00 0.00 N ATOM 43 CA ARG A 3 -2.378 -0.188 10.737 1.00 0.00 C ATOM 44 C ARG A 3 -1.823 0.106 9.347 1.00 0.00 C ATOM 45 O ARG A 3 -1.172 1.128 9.134 1.00 0.00 O ATOM 46 CB ARG A 3 -3.405 0.877 11.123 1.00 0.00 C ATOM 47 CG ARG A 3 -4.128 0.580 12.426 1.00 0.00 C ATOM 48 CD ARG A 3 -3.482 1.298 13.600 1.00 0.00 C ATOM 49 NE ARG A 3 -4.476 1.851 14.518 1.00 0.00 N ATOM 50 CZ ARG A 3 -5.056 3.039 14.360 1.00 0.00 C ATOM 51 NH1 ARG A 3 -4.756 3.801 13.314 1.00 0.00 N ATOM 52 NH2 ARG A 3 -5.944 3.466 15.247 1.00 0.00 N ATOM 0 H ARG A 3 -0.519 0.386 11.515 1.00 0.00 H new ATOM 0 HA ARG A 3 -2.866 -1.162 10.719 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -2.903 1.841 11.207 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -4.139 0.969 10.323 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -5.171 0.885 12.342 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -4.123 -0.495 12.609 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -2.837 0.604 14.139 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -2.846 2.101 13.228 1.00 0.00 H new ATOM 0 HE ARG A 3 -4.742 1.293 15.329 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -4.077 3.477 12.625 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -5.205 4.710 13.200 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -6.183 2.884 16.050 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -6.388 4.376 15.126 1.00 0.00 H new ATOM 66 N VAL A 4 -2.080 -0.793 8.404 1.00 0.00 N ATOM 67 CA VAL A 4 -1.602 -0.623 7.037 1.00 0.00 C ATOM 68 C VAL A 4 -2.749 -0.758 6.037 1.00 0.00 C ATOM 69 O VAL A 4 -3.784 -1.346 6.346 1.00 0.00 O ATOM 70 CB VAL A 4 -0.499 -1.648 6.699 1.00 0.00 C ATOM 71 CG1 VAL A 4 0.086 -1.376 5.322 1.00 0.00 C ATOM 72 CG2 VAL A 4 0.593 -1.625 7.763 1.00 0.00 C ATOM 0 H VAL A 4 -2.616 -1.646 8.561 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.182 0.380 6.963 1.00 0.00 H new ATOM 0 HB VAL A 4 -0.946 -2.642 6.686 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.862 -2.110 5.105 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.701 -1.447 4.572 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.518 -0.375 5.301 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.363 -2.354 7.510 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.036 -0.630 7.809 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.162 -1.875 8.732 1.00 0.00 H new ATOM 82 N LEU A 5 -2.567 -0.200 4.843 1.00 0.00 N ATOM 83 CA LEU A 5 -3.598 -0.253 3.810 1.00 0.00 C ATOM 84 C LEU A 5 -3.112 -1.005 2.576 1.00 0.00 C ATOM 85 O LEU A 5 -1.956 -0.881 2.173 1.00 0.00 O ATOM 86 CB LEU A 5 -4.026 1.163 3.419 1.00 0.00 C ATOM 87 CG LEU A 5 -5.117 1.239 2.349 1.00 0.00 C ATOM 88 CD1 LEU A 5 -6.429 0.688 2.885 1.00 0.00 C ATOM 89 CD2 LEU A 5 -5.293 2.672 1.871 1.00 0.00 C ATOM 0 H LEU A 5 -1.718 0.293 4.567 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.453 -0.791 4.220 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.378 1.679 4.312 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.150 1.705 3.062 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.811 0.628 1.500 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.193 0.750 2.110 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.294 -0.353 3.179 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.742 1.271 3.751 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.073 2.709 1.110 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.577 3.304 2.712 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.355 3.032 1.447 1.00 0.00 H new ATOM 101 N VAL A 6 -4.009 -1.784 1.978 1.00 0.00 N ATOM 102 CA VAL A 6 -3.684 -2.558 0.786 1.00 0.00 C ATOM 103 C VAL A 6 -4.594 -2.182 -0.380 1.00 0.00 C ATOM 104 O VAL A 6 -5.788 -1.946 -0.198 1.00 0.00 O ATOM 105 CB VAL A 6 -3.818 -4.070 1.048 1.00 0.00 C ATOM 106 CG1 VAL A 6 -3.249 -4.870 -0.115 1.00 0.00 C ATOM 107 CG2 VAL A 6 -3.137 -4.445 2.354 1.00 0.00 C ATOM 0 H VAL A 6 -4.970 -1.895 2.302 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.650 -2.325 0.531 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.877 -4.314 1.135 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.354 -5.935 0.090 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.791 -4.621 -1.027 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.194 -4.627 -0.242 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.241 -5.517 2.524 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.079 -4.187 2.300 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.602 -3.900 3.176 1.00 0.00 H new ATOM 117 N VAL A 7 -4.024 -2.137 -1.578 1.00 0.00 N ATOM 118 CA VAL A 7 -4.785 -1.801 -2.775 1.00 0.00 C ATOM 119 C VAL A 7 -4.484 -2.789 -3.894 1.00 0.00 C ATOM 120 O VAL A 7 -3.333 -2.947 -4.300 1.00 0.00 O ATOM 121 CB VAL A 7 -4.477 -0.371 -3.264 1.00 0.00 C ATOM 122 CG1 VAL A 7 -5.466 0.049 -4.341 1.00 0.00 C ATOM 123 CG2 VAL A 7 -4.497 0.609 -2.102 1.00 0.00 C ATOM 0 H VAL A 7 -3.037 -2.329 -1.746 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.841 -1.856 -2.510 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.477 -0.364 -3.697 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.233 1.060 -4.674 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.397 -0.636 -5.186 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.478 0.024 -3.936 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.277 1.612 -2.468 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.482 0.601 -1.636 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.746 0.318 -1.368 1.00 0.00 H new ATOM 133 N ASP A 8 -5.519 -3.462 -4.387 1.00 0.00 N ATOM 134 CA ASP A 8 -5.347 -4.439 -5.452 1.00 0.00 C ATOM 135 C ASP A 8 -6.668 -4.683 -6.176 1.00 0.00 C ATOM 136 O ASP A 8 -7.736 -4.399 -5.644 1.00 0.00 O ATOM 137 CB ASP A 8 -4.796 -5.749 -4.872 1.00 0.00 C ATOM 138 CG ASP A 8 -4.886 -6.911 -5.844 1.00 0.00 C ATOM 139 OD1 ASP A 8 -4.498 -6.735 -7.017 1.00 0.00 O ATOM 140 OD2 ASP A 8 -5.345 -7.996 -5.429 1.00 0.00 O ATOM 0 H ASP A 8 -6.481 -3.348 -4.067 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.633 -4.048 -6.177 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.755 -5.603 -4.584 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.346 -5.998 -3.964 1.00 0.00 H new ATOM 145 N ASP A 9 -6.583 -5.207 -7.392 1.00 0.00 N ATOM 146 CA ASP A 9 -7.772 -5.486 -8.189 1.00 0.00 C ATOM 147 C ASP A 9 -8.291 -6.895 -7.919 1.00 0.00 C ATOM 148 O ASP A 9 -8.546 -7.666 -8.845 1.00 0.00 O ATOM 149 CB ASP A 9 -7.462 -5.307 -9.680 1.00 0.00 C ATOM 150 CG ASP A 9 -8.671 -5.554 -10.559 1.00 0.00 C ATOM 151 OD1 ASP A 9 -9.742 -4.980 -10.270 1.00 0.00 O ATOM 152 OD2 ASP A 9 -8.548 -6.321 -11.537 1.00 0.00 O ATOM 0 H ASP A 9 -5.703 -5.448 -7.849 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.550 -4.779 -7.903 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.093 -4.296 -9.852 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.663 -5.991 -9.966 1.00 0.00 H new ATOM 157 N GLU A 10 -8.447 -7.224 -6.641 1.00 0.00 N ATOM 158 CA GLU A 10 -8.940 -8.536 -6.239 1.00 0.00 C ATOM 159 C GLU A 10 -9.932 -8.411 -5.087 1.00 0.00 C ATOM 160 O GLU A 10 -9.615 -7.840 -4.042 1.00 0.00 O ATOM 161 CB GLU A 10 -7.775 -9.440 -5.829 1.00 0.00 C ATOM 162 CG GLU A 10 -8.082 -10.923 -5.956 1.00 0.00 C ATOM 163 CD GLU A 10 -7.415 -11.750 -4.875 1.00 0.00 C ATOM 164 OE1 GLU A 10 -6.428 -11.267 -4.282 1.00 0.00 O ATOM 165 OE2 GLU A 10 -7.881 -12.880 -4.620 1.00 0.00 O ATOM 0 H GLU A 10 -8.238 -6.598 -5.864 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.452 -8.982 -7.092 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.908 -9.203 -6.445 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.502 -9.221 -4.797 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.161 -11.072 -5.909 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.753 -11.276 -6.933 1.00 0.00 H new ATOM 172 N GLU A 11 -11.134 -8.942 -5.284 1.00 0.00 N ATOM 173 CA GLU A 11 -12.172 -8.885 -4.261 1.00 0.00 C ATOM 174 C GLU A 11 -12.076 -10.077 -3.312 1.00 0.00 C ATOM 175 O GLU A 11 -13.052 -10.800 -3.104 1.00 0.00 O ATOM 176 CB GLU A 11 -13.556 -8.844 -4.913 1.00 0.00 C ATOM 177 CG GLU A 11 -13.809 -7.583 -5.722 1.00 0.00 C ATOM 178 CD GLU A 11 -14.941 -7.747 -6.718 1.00 0.00 C ATOM 179 OE1 GLU A 11 -14.681 -8.233 -7.838 1.00 0.00 O ATOM 180 OE2 GLU A 11 -16.088 -7.389 -6.376 1.00 0.00 O ATOM 0 H GLU A 11 -11.414 -9.417 -6.142 1.00 0.00 H new ATOM 0 HA GLU A 11 -12.023 -7.975 -3.680 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.668 -9.712 -5.563 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.317 -8.927 -4.137 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -14.042 -6.762 -5.044 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -12.898 -7.308 -6.254 1.00 0.00 H new ATOM 187 N SER A 12 -10.894 -10.275 -2.737 1.00 0.00 N ATOM 188 CA SER A 12 -10.670 -11.377 -1.808 1.00 0.00 C ATOM 189 C SER A 12 -9.385 -11.164 -1.015 1.00 0.00 C ATOM 190 O SER A 12 -8.661 -12.115 -0.722 1.00 0.00 O ATOM 191 CB SER A 12 -10.603 -12.705 -2.565 1.00 0.00 C ATOM 192 OG SER A 12 -11.709 -12.853 -3.438 1.00 0.00 O ATOM 0 H SER A 12 -10.077 -9.687 -2.898 1.00 0.00 H new ATOM 0 HA SER A 12 -11.507 -11.408 -1.110 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.676 -12.755 -3.136 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.584 -13.531 -1.854 1.00 0.00 H new ATOM 0 HG SER A 12 -12.487 -12.390 -3.062 1.00 0.00 H new ATOM 198 N ILE A 13 -9.111 -9.910 -0.668 1.00 0.00 N ATOM 199 CA ILE A 13 -7.923 -9.564 0.090 1.00 0.00 C ATOM 200 C ILE A 13 -6.664 -10.060 -0.614 1.00 0.00 C ATOM 201 O ILE A 13 -6.731 -10.851 -1.555 1.00 0.00 O ATOM 202 CB ILE A 13 -7.997 -10.181 1.490 1.00 0.00 C ATOM 203 CG1 ILE A 13 -9.293 -9.766 2.189 1.00 0.00 C ATOM 204 CG2 ILE A 13 -6.784 -9.812 2.336 1.00 0.00 C ATOM 205 CD1 ILE A 13 -9.334 -8.303 2.573 1.00 0.00 C ATOM 0 H ILE A 13 -9.704 -9.114 -0.904 1.00 0.00 H new ATOM 0 HA ILE A 13 -7.876 -8.478 0.169 1.00 0.00 H new ATOM 0 HB ILE A 13 -7.993 -11.265 1.374 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -10.136 -9.984 1.533 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -9.422 -10.372 3.086 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -6.875 -10.269 3.321 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.878 -10.174 1.850 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.731 -8.729 2.442 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -10.282 -8.082 3.064 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.513 -8.083 3.255 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -9.237 -7.689 1.678 1.00 0.00 H new ATOM 217 N THR A 14 -5.520 -9.594 -0.144 1.00 0.00 N ATOM 218 CA THR A 14 -4.240 -9.987 -0.708 1.00 0.00 C ATOM 219 C THR A 14 -3.755 -11.279 -0.059 1.00 0.00 C ATOM 220 O THR A 14 -3.611 -11.358 1.160 1.00 0.00 O ATOM 221 CB THR A 14 -3.221 -8.865 -0.513 1.00 0.00 C ATOM 222 OG1 THR A 14 -3.190 -8.447 0.841 1.00 0.00 O ATOM 223 CG2 THR A 14 -3.517 -7.646 -1.361 1.00 0.00 C ATOM 0 H THR A 14 -5.452 -8.937 0.634 1.00 0.00 H new ATOM 0 HA THR A 14 -4.358 -10.166 -1.777 1.00 0.00 H new ATOM 0 HB THR A 14 -2.262 -9.283 -0.819 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.891 -7.780 0.993 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.759 -6.884 -1.179 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.506 -7.924 -2.415 1.00 0.00 H new ATOM 0 HG23 THR A 14 -4.499 -7.251 -1.100 1.00 0.00 H new ATOM 231 N SER A 15 -3.525 -12.296 -0.881 1.00 0.00 N ATOM 232 CA SER A 15 -3.079 -13.597 -0.391 1.00 0.00 C ATOM 233 C SER A 15 -1.823 -13.483 0.469 1.00 0.00 C ATOM 234 O SER A 15 -0.851 -12.831 0.088 1.00 0.00 O ATOM 235 CB SER A 15 -2.817 -14.538 -1.568 1.00 0.00 C ATOM 236 OG SER A 15 -2.257 -15.763 -1.128 1.00 0.00 O ATOM 0 H SER A 15 -3.640 -12.245 -1.893 1.00 0.00 H new ATOM 0 HA SER A 15 -3.874 -14.002 0.235 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.750 -14.731 -2.098 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.141 -14.059 -2.277 1.00 0.00 H new ATOM 0 HG SER A 15 -2.101 -16.347 -1.899 1.00 0.00 H new ATOM 242 N SER A 16 -1.854 -14.146 1.629 1.00 0.00 N ATOM 243 CA SER A 16 -0.723 -14.162 2.562 1.00 0.00 C ATOM 244 C SER A 16 -0.688 -12.931 3.469 1.00 0.00 C ATOM 245 O SER A 16 0.021 -12.924 4.474 1.00 0.00 O ATOM 246 CB SER A 16 0.602 -14.287 1.809 1.00 0.00 C ATOM 247 OG SER A 16 1.639 -14.723 2.670 1.00 0.00 O ATOM 0 H SER A 16 -2.660 -14.684 1.947 1.00 0.00 H new ATOM 0 HA SER A 16 -0.863 -15.035 3.199 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.490 -14.991 0.984 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.868 -13.324 1.373 1.00 0.00 H new ATOM 0 HG SER A 16 1.529 -14.308 3.551 1.00 0.00 H new ATOM 253 N LEU A 17 -1.443 -11.892 3.126 1.00 0.00 N ATOM 254 CA LEU A 17 -1.464 -10.675 3.933 1.00 0.00 C ATOM 255 C LEU A 17 -2.320 -10.866 5.182 1.00 0.00 C ATOM 256 O LEU A 17 -1.900 -10.535 6.290 1.00 0.00 O ATOM 257 CB LEU A 17 -1.997 -9.497 3.103 1.00 0.00 C ATOM 258 CG LEU A 17 -0.987 -8.398 2.714 1.00 0.00 C ATOM 259 CD1 LEU A 17 -1.344 -7.081 3.385 1.00 0.00 C ATOM 260 CD2 LEU A 17 0.447 -8.792 3.055 1.00 0.00 C ATOM 0 H LEU A 17 -2.044 -11.867 2.302 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.443 -10.456 4.247 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.431 -9.898 2.187 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.808 -9.029 3.661 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.046 -8.275 1.633 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.620 -6.318 3.098 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.341 -6.771 3.071 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.328 -7.208 4.467 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.124 -7.989 2.764 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.531 -8.967 4.128 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.712 -9.702 2.517 1.00 0.00 H new ATOM 272 N SER A 18 -3.524 -11.397 4.994 1.00 0.00 N ATOM 273 CA SER A 18 -4.440 -11.628 6.107 1.00 0.00 C ATOM 274 C SER A 18 -3.753 -12.388 7.239 1.00 0.00 C ATOM 275 O SER A 18 -3.706 -11.920 8.375 1.00 0.00 O ATOM 276 CB SER A 18 -5.669 -12.403 5.629 1.00 0.00 C ATOM 277 OG SER A 18 -6.473 -12.809 6.723 1.00 0.00 O ATOM 0 H SER A 18 -3.888 -11.675 4.083 1.00 0.00 H new ATOM 0 HA SER A 18 -4.754 -10.657 6.490 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.256 -11.780 4.954 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.353 -13.278 5.061 1.00 0.00 H new ATOM 0 HG SER A 18 -6.616 -12.048 7.324 1.00 0.00 H new ATOM 283 N ALA A 19 -3.219 -13.563 6.920 1.00 0.00 N ATOM 284 CA ALA A 19 -2.534 -14.386 7.910 1.00 0.00 C ATOM 285 C ALA A 19 -1.395 -13.617 8.572 1.00 0.00 C ATOM 286 O ALA A 19 -1.248 -13.636 9.794 1.00 0.00 O ATOM 287 CB ALA A 19 -2.009 -15.661 7.265 1.00 0.00 C ATOM 0 H ALA A 19 -3.248 -13.966 5.984 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.254 -14.653 8.684 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.500 -16.266 8.016 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.842 -16.227 6.847 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.309 -15.405 6.470 1.00 0.00 H new ATOM 293 N ILE A 20 -0.592 -12.943 7.757 1.00 0.00 N ATOM 294 CA ILE A 20 0.534 -12.165 8.261 1.00 0.00 C ATOM 295 C ILE A 20 0.059 -11.075 9.218 1.00 0.00 C ATOM 296 O ILE A 20 0.283 -11.157 10.424 1.00 0.00 O ATOM 297 CB ILE A 20 1.333 -11.527 7.102 1.00 0.00 C ATOM 298 CG1 ILE A 20 2.056 -12.608 6.305 1.00 0.00 C ATOM 299 CG2 ILE A 20 2.330 -10.500 7.618 1.00 0.00 C ATOM 300 CD1 ILE A 20 2.567 -12.127 4.966 1.00 0.00 C ATOM 0 H ILE A 20 -0.700 -12.919 6.743 1.00 0.00 H new ATOM 0 HA ILE A 20 1.187 -12.850 8.802 1.00 0.00 H new ATOM 0 HB ILE A 20 0.628 -11.013 6.449 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.895 -12.982 6.892 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.378 -13.447 6.147 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.876 -10.069 6.779 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.797 -9.710 8.148 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.032 -10.984 8.298 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.070 -12.946 4.453 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.730 -11.779 4.361 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.270 -11.308 5.118 1.00 0.00 H new ATOM 312 N LEU A 21 -0.597 -10.058 8.671 1.00 0.00 N ATOM 313 CA LEU A 21 -1.106 -8.953 9.476 1.00 0.00 C ATOM 314 C LEU A 21 -1.860 -9.466 10.700 1.00 0.00 C ATOM 315 O LEU A 21 -1.869 -8.826 11.751 1.00 0.00 O ATOM 316 CB LEU A 21 -2.019 -8.080 8.626 1.00 0.00 C ATOM 317 CG LEU A 21 -1.367 -7.552 7.350 1.00 0.00 C ATOM 318 CD1 LEU A 21 -2.261 -7.798 6.145 1.00 0.00 C ATOM 319 CD2 LEU A 21 -1.040 -6.074 7.497 1.00 0.00 C ATOM 0 H LEU A 21 -0.789 -9.975 7.673 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.260 -8.362 9.826 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.906 -8.654 8.357 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.356 -7.234 9.225 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.435 -8.093 7.187 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.776 -7.414 5.248 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.435 -8.868 6.033 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.214 -7.289 6.289 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.576 -5.711 6.580 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.957 -5.515 7.685 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.353 -5.935 8.331 1.00 0.00 H new ATOM 331 N GLU A 22 -2.486 -10.629 10.554 1.00 0.00 N ATOM 332 CA GLU A 22 -3.238 -11.234 11.648 1.00 0.00 C ATOM 333 C GLU A 22 -2.298 -11.810 12.700 1.00 0.00 C ATOM 334 O GLU A 22 -2.625 -11.845 13.886 1.00 0.00 O ATOM 335 CB GLU A 22 -4.160 -12.329 11.120 1.00 0.00 C ATOM 336 CG GLU A 22 -5.436 -11.799 10.485 1.00 0.00 C ATOM 337 CD GLU A 22 -6.150 -12.840 9.646 1.00 0.00 C ATOM 338 OE1 GLU A 22 -5.635 -13.973 9.537 1.00 0.00 O ATOM 339 OE2 GLU A 22 -7.226 -12.523 9.096 1.00 0.00 O ATOM 0 H GLU A 22 -2.488 -11.171 9.690 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.842 -10.455 12.112 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.619 -12.924 10.385 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.423 -12.997 11.940 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.107 -11.447 11.268 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.196 -10.938 9.861 1.00 0.00 H new ATOM 346 N GLU A 23 -1.124 -12.256 12.261 1.00 0.00 N ATOM 347 CA GLU A 23 -0.137 -12.824 13.165 1.00 0.00 C ATOM 348 C GLU A 23 0.682 -11.716 13.823 1.00 0.00 C ATOM 349 O GLU A 23 1.067 -11.821 14.988 1.00 0.00 O ATOM 350 CB GLU A 23 0.777 -13.787 12.401 1.00 0.00 C ATOM 351 CG GLU A 23 2.052 -14.149 13.146 1.00 0.00 C ATOM 352 CD GLU A 23 2.340 -15.638 13.124 1.00 0.00 C ATOM 353 OE1 GLU A 23 2.742 -16.148 12.057 1.00 0.00 O ATOM 354 OE2 GLU A 23 2.164 -16.293 14.172 1.00 0.00 O ATOM 0 H GLU A 23 -0.836 -12.233 11.283 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.653 -13.378 13.949 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.224 -14.700 12.182 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.042 -13.338 11.444 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.892 -13.614 12.702 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.971 -13.814 14.180 1.00 0.00 H new ATOM 361 N GLU A 24 0.943 -10.657 13.066 1.00 0.00 N ATOM 362 CA GLU A 24 1.714 -9.527 13.569 1.00 0.00 C ATOM 363 C GLU A 24 0.879 -8.677 14.521 1.00 0.00 C ATOM 364 O GLU A 24 1.400 -8.106 15.480 1.00 0.00 O ATOM 365 CB GLU A 24 2.215 -8.669 12.408 1.00 0.00 C ATOM 366 CG GLU A 24 3.213 -9.383 11.511 1.00 0.00 C ATOM 367 CD GLU A 24 4.644 -9.208 11.977 1.00 0.00 C ATOM 368 OE1 GLU A 24 4.987 -8.101 12.441 1.00 0.00 O ATOM 369 OE2 GLU A 24 5.424 -10.179 11.876 1.00 0.00 O ATOM 0 H GLU A 24 0.631 -10.557 12.100 1.00 0.00 H new ATOM 0 HA GLU A 24 2.570 -9.920 14.118 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.363 -8.351 11.808 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.678 -7.767 12.807 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.972 -10.446 11.480 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.117 -9.004 10.493 1.00 0.00 H new ATOM 376 N GLY A 25 -0.419 -8.593 14.248 1.00 0.00 N ATOM 377 CA GLY A 25 -1.305 -7.808 15.084 1.00 0.00 C ATOM 378 C GLY A 25 -1.537 -6.420 14.525 1.00 0.00 C ATOM 379 O GLY A 25 -1.538 -5.436 15.264 1.00 0.00 O ATOM 0 H GLY A 25 -0.873 -9.056 13.461 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.261 -8.323 15.182 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.882 -7.729 16.085 1.00 0.00 H new ATOM 383 N TYR A 26 -1.728 -6.345 13.213 1.00 0.00 N ATOM 384 CA TYR A 26 -1.957 -5.071 12.543 1.00 0.00 C ATOM 385 C TYR A 26 -3.425 -4.898 12.175 1.00 0.00 C ATOM 386 O TYR A 26 -4.266 -5.740 12.491 1.00 0.00 O ATOM 387 CB TYR A 26 -1.111 -4.985 11.270 1.00 0.00 C ATOM 388 CG TYR A 26 0.345 -4.658 11.507 1.00 0.00 C ATOM 389 CD1 TYR A 26 1.061 -5.264 12.532 1.00 0.00 C ATOM 390 CD2 TYR A 26 1.004 -3.741 10.700 1.00 0.00 C ATOM 391 CE1 TYR A 26 2.393 -4.963 12.744 1.00 0.00 C ATOM 392 CE2 TYR A 26 2.335 -3.434 10.904 1.00 0.00 C ATOM 393 CZ TYR A 26 3.025 -4.049 11.928 1.00 0.00 C ATOM 394 OH TYR A 26 4.352 -3.748 12.134 1.00 0.00 O ATOM 0 H TYR A 26 -1.729 -7.154 12.591 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.671 -4.278 13.234 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.175 -5.936 10.741 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -1.539 -4.226 10.615 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.569 -5.981 13.173 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.466 -3.258 9.897 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.936 -5.442 13.545 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.832 -2.718 10.267 1.00 0.00 H new ATOM 0 HH TYR A 26 4.644 -3.087 11.472 1.00 0.00 H new ATOM 404 N HIS A 27 -3.712 -3.806 11.481 1.00 0.00 N ATOM 405 CA HIS A 27 -5.062 -3.503 11.026 1.00 0.00 C ATOM 406 C HIS A 27 -5.031 -3.223 9.530 1.00 0.00 C ATOM 407 O HIS A 27 -4.964 -2.070 9.103 1.00 0.00 O ATOM 408 CB HIS A 27 -5.631 -2.303 11.784 1.00 0.00 C ATOM 409 CG HIS A 27 -7.087 -2.436 12.110 1.00 0.00 C ATOM 410 ND1 HIS A 27 -8.092 -2.081 11.234 1.00 0.00 N ATOM 411 CD2 HIS A 27 -7.707 -2.889 13.226 1.00 0.00 C ATOM 412 CE1 HIS A 27 -9.265 -2.310 11.797 1.00 0.00 C ATOM 413 NE2 HIS A 27 -9.059 -2.801 13.004 1.00 0.00 N ATOM 0 H HIS A 27 -3.018 -3.107 11.218 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.709 -4.358 11.222 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -5.071 -2.169 12.709 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.481 -1.403 11.188 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.227 -3.252 14.123 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -10.229 -2.126 11.346 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.787 -3.072 13.666 1.00 0.00 H new ATOM 422 N PRO A 28 -5.044 -4.287 8.713 1.00 0.00 N ATOM 423 CA PRO A 28 -4.979 -4.171 7.259 1.00 0.00 C ATOM 424 C PRO A 28 -6.326 -3.903 6.601 1.00 0.00 C ATOM 425 O PRO A 28 -7.311 -4.597 6.856 1.00 0.00 O ATOM 426 CB PRO A 28 -4.448 -5.538 6.839 1.00 0.00 C ATOM 427 CG PRO A 28 -4.977 -6.479 7.867 1.00 0.00 C ATOM 428 CD PRO A 28 -5.088 -5.696 9.151 1.00 0.00 C ATOM 0 HA PRO A 28 -4.364 -3.324 6.954 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -4.792 -5.807 5.840 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.358 -5.550 6.814 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.948 -6.873 7.568 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.311 -7.333 7.990 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.015 -5.922 9.678 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -4.270 -5.928 9.833 1.00 0.00 H new ATOM 436 N ASP A 29 -6.341 -2.903 5.727 1.00 0.00 N ATOM 437 CA ASP A 29 -7.538 -2.540 4.986 1.00 0.00 C ATOM 438 C ASP A 29 -7.258 -2.686 3.497 1.00 0.00 C ATOM 439 O ASP A 29 -6.387 -2.009 2.956 1.00 0.00 O ATOM 440 CB ASP A 29 -7.960 -1.112 5.315 1.00 0.00 C ATOM 441 CG ASP A 29 -9.329 -1.049 5.964 1.00 0.00 C ATOM 442 OD1 ASP A 29 -10.297 -1.556 5.360 1.00 0.00 O ATOM 443 OD2 ASP A 29 -9.433 -0.492 7.078 1.00 0.00 O ATOM 0 H ASP A 29 -5.528 -2.325 5.515 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.356 -3.202 5.269 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.224 -0.663 5.982 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.966 -0.518 4.401 1.00 0.00 H new ATOM 448 N THR A 30 -7.973 -3.588 2.841 1.00 0.00 N ATOM 449 CA THR A 30 -7.756 -3.824 1.421 1.00 0.00 C ATOM 450 C THR A 30 -8.871 -3.233 0.566 1.00 0.00 C ATOM 451 O THR A 30 -10.052 -3.358 0.886 1.00 0.00 O ATOM 452 CB THR A 30 -7.634 -5.323 1.150 1.00 0.00 C ATOM 453 OG1 THR A 30 -8.901 -5.953 1.235 1.00 0.00 O ATOM 454 CG2 THR A 30 -6.703 -6.031 2.112 1.00 0.00 C ATOM 0 H THR A 30 -8.701 -4.163 3.264 1.00 0.00 H new ATOM 0 HA THR A 30 -6.827 -3.324 1.146 1.00 0.00 H new ATOM 0 HB THR A 30 -7.220 -5.402 0.145 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.130 -6.345 0.367 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.662 -7.092 1.864 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.704 -5.601 2.035 1.00 0.00 H new ATOM 0 HG23 THR A 30 -7.072 -5.911 3.131 1.00 0.00 H new ATOM 462 N ALA A 31 -8.474 -2.602 -0.533 1.00 0.00 N ATOM 463 CA ALA A 31 -9.421 -2.002 -1.460 1.00 0.00 C ATOM 464 C ALA A 31 -9.508 -2.837 -2.733 1.00 0.00 C ATOM 465 O ALA A 31 -9.065 -3.985 -2.759 1.00 0.00 O ATOM 466 CB ALA A 31 -9.014 -0.570 -1.781 1.00 0.00 C ATOM 0 H ALA A 31 -7.496 -2.493 -0.803 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.406 -1.979 -0.993 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.732 -0.135 -2.476 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.995 0.017 -0.863 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.023 -0.566 -2.234 1.00 0.00 H new ATOM 472 N LYS A 32 -10.081 -2.266 -3.786 1.00 0.00 N ATOM 473 CA LYS A 32 -10.215 -2.985 -5.049 1.00 0.00 C ATOM 474 C LYS A 32 -9.746 -2.144 -6.235 1.00 0.00 C ATOM 475 O LYS A 32 -9.683 -2.633 -7.363 1.00 0.00 O ATOM 476 CB LYS A 32 -11.666 -3.424 -5.271 1.00 0.00 C ATOM 477 CG LYS A 32 -12.491 -3.473 -3.998 1.00 0.00 C ATOM 478 CD LYS A 32 -13.978 -3.566 -4.296 1.00 0.00 C ATOM 479 CE LYS A 32 -14.792 -2.694 -3.354 1.00 0.00 C ATOM 480 NZ LYS A 32 -14.410 -2.904 -1.931 1.00 0.00 N ATOM 0 H LYS A 32 -10.457 -1.318 -3.792 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.577 -3.866 -4.984 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -12.140 -2.739 -5.974 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.671 -4.410 -5.735 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -12.185 -4.331 -3.399 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.294 -2.582 -3.402 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -14.163 -3.262 -5.326 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -14.304 -4.602 -4.206 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -14.650 -1.646 -3.617 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -15.852 -2.914 -3.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.210 -2.653 -1.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -14.159 -3.902 -1.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.593 -2.304 -1.699 1.00 0.00 H new ATOM 494 N THR A 33 -9.412 -0.884 -5.980 1.00 0.00 N ATOM 495 CA THR A 33 -8.944 0.011 -7.028 1.00 0.00 C ATOM 496 C THR A 33 -8.421 1.305 -6.419 1.00 0.00 C ATOM 497 O THR A 33 -8.645 1.576 -5.239 1.00 0.00 O ATOM 498 CB THR A 33 -10.073 0.315 -8.015 1.00 0.00 C ATOM 499 OG1 THR A 33 -11.333 0.252 -7.372 1.00 0.00 O ATOM 500 CG2 THR A 33 -10.110 -0.635 -9.193 1.00 0.00 C ATOM 0 H THR A 33 -9.457 -0.460 -5.054 1.00 0.00 H new ATOM 0 HA THR A 33 -8.133 -0.480 -7.566 1.00 0.00 H new ATOM 0 HB THR A 33 -9.869 1.320 -8.385 1.00 0.00 H new ATOM 0 HG1 THR A 33 -12.041 0.451 -8.020 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.933 -0.364 -9.854 1.00 0.00 H new ATOM 0 HG22 THR A 33 -9.170 -0.572 -9.741 1.00 0.00 H new ATOM 0 HG23 THR A 33 -10.254 -1.654 -8.834 1.00 0.00 H new ATOM 508 N LEU A 34 -7.735 2.106 -7.222 1.00 0.00 N ATOM 509 CA LEU A 34 -7.201 3.373 -6.741 1.00 0.00 C ATOM 510 C LEU A 34 -8.333 4.276 -6.268 1.00 0.00 C ATOM 511 O LEU A 34 -8.156 5.086 -5.359 1.00 0.00 O ATOM 512 CB LEU A 34 -6.386 4.062 -7.835 1.00 0.00 C ATOM 513 CG LEU A 34 -5.152 3.286 -8.302 1.00 0.00 C ATOM 514 CD1 LEU A 34 -4.668 3.810 -9.645 1.00 0.00 C ATOM 515 CD2 LEU A 34 -4.044 3.373 -7.261 1.00 0.00 C ATOM 0 H LEU A 34 -7.536 1.904 -8.202 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.540 3.174 -5.898 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.033 4.238 -8.694 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.067 5.038 -7.470 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.428 2.239 -8.424 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.790 3.246 -9.961 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.459 3.696 -10.387 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.408 4.864 -9.552 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.174 2.816 -7.608 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.769 4.417 -7.108 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.395 2.949 -6.320 1.00 0.00 H new ATOM 527 N ARG A 35 -9.505 4.113 -6.876 1.00 0.00 N ATOM 528 CA ARG A 35 -10.672 4.897 -6.498 1.00 0.00 C ATOM 529 C ARG A 35 -11.166 4.455 -5.126 1.00 0.00 C ATOM 530 O ARG A 35 -11.445 5.280 -4.255 1.00 0.00 O ATOM 531 CB ARG A 35 -11.784 4.736 -7.535 1.00 0.00 C ATOM 532 CG ARG A 35 -11.363 5.117 -8.946 1.00 0.00 C ATOM 533 CD ARG A 35 -12.372 6.049 -9.599 1.00 0.00 C ATOM 534 NE ARG A 35 -11.933 7.441 -9.565 1.00 0.00 N ATOM 535 CZ ARG A 35 -12.750 8.481 -9.726 1.00 0.00 C ATOM 536 NH1 ARG A 35 -14.047 8.289 -9.933 1.00 0.00 N ATOM 537 NH2 ARG A 35 -12.268 9.715 -9.680 1.00 0.00 N ATOM 0 H ARG A 35 -9.669 3.446 -7.630 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.390 5.949 -6.456 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -12.123 3.700 -7.534 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -12.635 5.350 -7.241 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.386 5.600 -8.917 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -11.255 4.216 -9.550 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -12.531 5.744 -10.633 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -13.331 5.959 -9.089 1.00 0.00 H new ATOM 0 HE ARG A 35 -10.943 7.628 -9.409 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -14.423 7.341 -9.969 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -14.668 9.089 -10.056 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -11.272 9.868 -9.521 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -12.893 10.512 -9.803 1.00 0.00 H new ATOM 551 N GLU A 36 -11.254 3.140 -4.939 1.00 0.00 N ATOM 552 CA GLU A 36 -11.696 2.579 -3.670 1.00 0.00 C ATOM 553 C GLU A 36 -10.722 2.962 -2.561 1.00 0.00 C ATOM 554 O GLU A 36 -11.119 3.163 -1.413 1.00 0.00 O ATOM 555 CB GLU A 36 -11.815 1.054 -3.770 1.00 0.00 C ATOM 556 CG GLU A 36 -13.250 0.561 -3.870 1.00 0.00 C ATOM 557 CD GLU A 36 -13.931 0.471 -2.519 1.00 0.00 C ATOM 558 OE1 GLU A 36 -13.230 0.219 -1.516 1.00 0.00 O ATOM 559 OE2 GLU A 36 -15.165 0.654 -2.463 1.00 0.00 O ATOM 0 H GLU A 36 -11.025 2.446 -5.651 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.679 2.986 -3.432 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -11.260 0.711 -4.643 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.345 0.603 -2.896 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -13.817 1.233 -4.514 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.261 -0.420 -4.344 1.00 0.00 H new ATOM 566 N ALA A 37 -9.444 3.072 -2.916 1.00 0.00 N ATOM 567 CA ALA A 37 -8.419 3.442 -1.952 1.00 0.00 C ATOM 568 C ALA A 37 -8.544 4.909 -1.570 1.00 0.00 C ATOM 569 O ALA A 37 -8.568 5.249 -0.386 1.00 0.00 O ATOM 570 CB ALA A 37 -7.033 3.149 -2.510 1.00 0.00 C ATOM 0 H ALA A 37 -9.097 2.910 -3.862 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.562 2.843 -1.052 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.278 3.432 -1.776 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.946 2.085 -2.728 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.881 3.721 -3.426 1.00 0.00 H new ATOM 576 N GLU A 38 -8.633 5.779 -2.577 1.00 0.00 N ATOM 577 CA GLU A 38 -8.767 7.211 -2.337 1.00 0.00 C ATOM 578 C GLU A 38 -9.817 7.473 -1.270 1.00 0.00 C ATOM 579 O GLU A 38 -9.588 8.238 -0.337 1.00 0.00 O ATOM 580 CB GLU A 38 -9.133 7.944 -3.626 1.00 0.00 C ATOM 581 CG GLU A 38 -8.001 7.996 -4.640 1.00 0.00 C ATOM 582 CD GLU A 38 -8.499 8.207 -6.057 1.00 0.00 C ATOM 583 OE1 GLU A 38 -9.628 8.714 -6.221 1.00 0.00 O ATOM 584 OE2 GLU A 38 -7.757 7.866 -7.003 1.00 0.00 O ATOM 0 H GLU A 38 -8.615 5.515 -3.562 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.807 7.589 -1.986 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.994 7.454 -4.080 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.437 8.962 -3.381 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.317 8.802 -4.375 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.432 7.067 -4.593 1.00 0.00 H new ATOM 591 N LYS A 39 -10.963 6.813 -1.400 1.00 0.00 N ATOM 592 CA LYS A 39 -12.030 6.964 -0.424 1.00 0.00 C ATOM 593 C LYS A 39 -11.521 6.558 0.954 1.00 0.00 C ATOM 594 O LYS A 39 -11.605 7.326 1.912 1.00 0.00 O ATOM 595 CB LYS A 39 -13.239 6.109 -0.815 1.00 0.00 C ATOM 596 CG LYS A 39 -14.368 6.148 0.203 1.00 0.00 C ATOM 597 CD LYS A 39 -14.300 4.965 1.155 1.00 0.00 C ATOM 598 CE LYS A 39 -15.084 5.231 2.430 1.00 0.00 C ATOM 599 NZ LYS A 39 -15.342 3.980 3.196 1.00 0.00 N ATOM 0 H LYS A 39 -11.174 6.174 -2.166 1.00 0.00 H new ATOM 0 HA LYS A 39 -12.343 8.008 -0.399 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.618 6.450 -1.778 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.916 5.076 -0.947 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.316 7.077 0.771 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.327 6.145 -0.315 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.695 4.077 0.662 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -13.260 4.756 1.403 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -14.532 5.932 3.056 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.033 5.706 2.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -15.879 4.205 4.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.891 3.320 2.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -14.437 3.540 3.457 1.00 0.00 H new ATOM 613 N LYS A 40 -10.985 5.344 1.039 1.00 0.00 N ATOM 614 CA LYS A 40 -10.451 4.831 2.295 1.00 0.00 C ATOM 615 C LYS A 40 -9.328 5.724 2.818 1.00 0.00 C ATOM 616 O LYS A 40 -9.053 5.746 4.018 1.00 0.00 O ATOM 617 CB LYS A 40 -9.937 3.403 2.108 1.00 0.00 C ATOM 618 CG LYS A 40 -11.029 2.403 1.764 1.00 0.00 C ATOM 619 CD LYS A 40 -10.605 0.981 2.096 1.00 0.00 C ATOM 620 CE LYS A 40 -11.781 0.148 2.579 1.00 0.00 C ATOM 621 NZ LYS A 40 -12.583 -0.390 1.444 1.00 0.00 N ATOM 0 H LYS A 40 -10.909 4.698 0.253 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.257 4.828 3.028 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.188 3.396 1.317 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.438 3.083 3.023 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.937 2.651 2.313 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.269 2.474 0.703 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.166 0.516 1.213 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.832 1.001 2.864 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.415 -0.678 3.189 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -12.420 0.758 3.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.586 -0.428 1.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -12.472 0.229 0.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.251 -1.347 1.208 1.00 0.00 H new ATOM 635 N ILE A 41 -8.676 6.454 1.915 1.00 0.00 N ATOM 636 CA ILE A 41 -7.580 7.337 2.302 1.00 0.00 C ATOM 637 C ILE A 41 -8.049 8.781 2.476 1.00 0.00 C ATOM 638 O ILE A 41 -7.331 9.610 3.034 1.00 0.00 O ATOM 639 CB ILE A 41 -6.444 7.297 1.263 1.00 0.00 C ATOM 640 CG1 ILE A 41 -6.009 5.852 1.008 1.00 0.00 C ATOM 641 CG2 ILE A 41 -5.263 8.136 1.730 1.00 0.00 C ATOM 642 CD1 ILE A 41 -5.383 5.640 -0.352 1.00 0.00 C ATOM 0 H ILE A 41 -8.886 6.451 0.917 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.209 6.973 3.260 1.00 0.00 H new ATOM 0 HB ILE A 41 -6.814 7.718 0.328 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.296 5.555 1.777 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.875 5.198 1.106 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.470 8.096 0.983 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.582 9.170 1.865 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.890 7.744 2.676 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.099 4.593 -0.463 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.101 5.906 -1.128 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.497 6.268 -0.447 1.00 0.00 H new ATOM 654 N LYS A 42 -9.255 9.082 2.000 1.00 0.00 N ATOM 655 CA LYS A 42 -9.805 10.428 2.111 1.00 0.00 C ATOM 656 C LYS A 42 -10.273 10.720 3.535 1.00 0.00 C ATOM 657 O LYS A 42 -10.609 11.858 3.863 1.00 0.00 O ATOM 658 CB LYS A 42 -10.966 10.608 1.137 1.00 0.00 C ATOM 659 CG LYS A 42 -11.072 12.017 0.575 1.00 0.00 C ATOM 660 CD LYS A 42 -12.358 12.702 1.013 1.00 0.00 C ATOM 661 CE LYS A 42 -13.370 12.765 -0.121 1.00 0.00 C ATOM 662 NZ LYS A 42 -14.761 12.541 0.364 1.00 0.00 N ATOM 0 H LYS A 42 -9.868 8.412 1.535 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.012 11.133 1.860 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -10.851 9.904 0.313 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.898 10.356 1.644 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.216 12.606 0.904 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.033 11.979 -0.514 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -12.789 12.164 1.857 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -12.134 13.711 1.359 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.308 13.737 -0.610 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -13.122 12.015 -0.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -15.421 12.592 -0.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -14.827 11.603 0.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -15.007 13.272 1.061 1.00 0.00 H new ATOM 676 N GLU A 43 -10.294 9.690 4.376 1.00 0.00 N ATOM 677 CA GLU A 43 -10.722 9.845 5.760 1.00 0.00 C ATOM 678 C GLU A 43 -9.770 9.123 6.706 1.00 0.00 C ATOM 679 O GLU A 43 -9.126 9.747 7.551 1.00 0.00 O ATOM 680 CB GLU A 43 -12.144 9.309 5.940 1.00 0.00 C ATOM 681 CG GLU A 43 -13.165 9.978 5.035 1.00 0.00 C ATOM 682 CD GLU A 43 -14.050 8.978 4.316 1.00 0.00 C ATOM 683 OE1 GLU A 43 -13.504 8.035 3.703 1.00 0.00 O ATOM 684 OE2 GLU A 43 -15.287 9.136 4.365 1.00 0.00 O ATOM 0 H GLU A 43 -10.020 8.741 4.122 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.710 10.908 6.002 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.146 8.236 5.746 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.446 9.446 6.978 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.787 10.648 5.628 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.646 10.593 4.300 1.00 0.00 H new ATOM 691 N LEU A 44 -9.682 7.806 6.558 1.00 0.00 N ATOM 692 CA LEU A 44 -8.806 6.999 7.399 1.00 0.00 C ATOM 693 C LEU A 44 -7.353 7.433 7.239 1.00 0.00 C ATOM 694 O LEU A 44 -6.757 7.260 6.176 1.00 0.00 O ATOM 695 CB LEU A 44 -8.950 5.517 7.048 1.00 0.00 C ATOM 696 CG LEU A 44 -9.556 4.644 8.148 1.00 0.00 C ATOM 697 CD1 LEU A 44 -8.650 4.619 9.369 1.00 0.00 C ATOM 698 CD2 LEU A 44 -10.943 5.145 8.519 1.00 0.00 C ATOM 0 H LEU A 44 -10.207 7.274 5.863 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.100 7.148 8.438 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.569 5.430 6.155 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.966 5.123 6.794 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.648 3.626 7.770 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.097 3.993 10.141 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.677 4.214 9.092 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.525 5.632 9.750 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.360 4.513 9.303 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -10.875 6.172 8.878 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.589 5.110 7.642 1.00 0.00 H new ATOM 710 N PHE A 45 -6.787 7.990 8.302 1.00 0.00 N ATOM 711 CA PHE A 45 -5.401 8.441 8.276 1.00 0.00 C ATOM 712 C PHE A 45 -4.453 7.249 8.253 1.00 0.00 C ATOM 713 O PHE A 45 -3.737 6.989 9.221 1.00 0.00 O ATOM 714 CB PHE A 45 -5.102 9.327 9.487 1.00 0.00 C ATOM 715 CG PHE A 45 -3.976 10.298 9.258 1.00 0.00 C ATOM 716 CD1 PHE A 45 -2.724 9.849 8.866 1.00 0.00 C ATOM 717 CD2 PHE A 45 -4.169 11.658 9.434 1.00 0.00 C ATOM 718 CE1 PHE A 45 -1.688 10.739 8.653 1.00 0.00 C ATOM 719 CE2 PHE A 45 -3.136 12.553 9.225 1.00 0.00 C ATOM 720 CZ PHE A 45 -1.894 12.092 8.834 1.00 0.00 C ATOM 0 H PHE A 45 -7.264 8.140 9.191 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.249 9.027 7.369 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -6.002 9.882 9.752 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.857 8.693 10.339 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.556 8.791 8.725 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -5.138 12.024 9.738 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.718 10.376 8.345 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.300 13.611 9.367 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.085 12.789 8.670 1.00 0.00 H new ATOM 730 N PHE A 46 -4.457 6.521 7.143 1.00 0.00 N ATOM 731 CA PHE A 46 -3.600 5.353 6.994 1.00 0.00 C ATOM 732 C PHE A 46 -2.127 5.755 7.042 1.00 0.00 C ATOM 733 O PHE A 46 -1.706 6.670 6.334 1.00 0.00 O ATOM 734 CB PHE A 46 -3.901 4.638 5.675 1.00 0.00 C ATOM 735 CG PHE A 46 -5.114 3.754 5.737 1.00 0.00 C ATOM 736 CD1 PHE A 46 -5.106 2.596 6.497 1.00 0.00 C ATOM 737 CD2 PHE A 46 -6.262 4.082 5.034 1.00 0.00 C ATOM 738 CE1 PHE A 46 -6.221 1.781 6.555 1.00 0.00 C ATOM 739 CE2 PHE A 46 -7.380 3.272 5.088 1.00 0.00 C ATOM 740 CZ PHE A 46 -7.359 2.119 5.850 1.00 0.00 C ATOM 0 H PHE A 46 -5.045 6.719 6.333 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.804 4.673 7.822 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.043 5.382 4.891 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.037 4.037 5.391 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.219 2.327 7.051 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.283 4.982 4.437 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -6.202 0.881 7.151 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -8.269 3.539 4.536 1.00 0.00 H new ATOM 0 HZ PHE A 46 -8.231 1.484 5.894 1.00 0.00 H new ATOM 750 N PRO A 47 -1.315 5.072 7.871 1.00 0.00 N ATOM 751 CA PRO A 47 0.107 5.366 7.988 1.00 0.00 C ATOM 752 C PRO A 47 0.912 4.741 6.856 1.00 0.00 C ATOM 753 O PRO A 47 1.775 5.387 6.264 1.00 0.00 O ATOM 754 CB PRO A 47 0.513 4.751 9.335 1.00 0.00 C ATOM 755 CG PRO A 47 -0.667 3.970 9.830 1.00 0.00 C ATOM 756 CD PRO A 47 -1.711 3.962 8.742 1.00 0.00 C ATOM 0 HA PRO A 47 0.301 6.437 7.931 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.383 4.104 9.218 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.788 5.529 10.048 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.371 2.952 10.082 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -1.067 4.419 10.739 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -1.721 3.014 8.203 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.712 4.109 9.147 1.00 0.00 H new ATOM 764 N VAL A 48 0.628 3.476 6.562 1.00 0.00 N ATOM 765 CA VAL A 48 1.327 2.762 5.504 1.00 0.00 C ATOM 766 C VAL A 48 0.376 2.343 4.389 1.00 0.00 C ATOM 767 O VAL A 48 -0.610 1.650 4.630 1.00 0.00 O ATOM 768 CB VAL A 48 2.033 1.509 6.052 1.00 0.00 C ATOM 769 CG1 VAL A 48 2.901 0.866 4.982 1.00 0.00 C ATOM 770 CG2 VAL A 48 2.856 1.862 7.278 1.00 0.00 C ATOM 0 H VAL A 48 -0.083 2.925 7.044 1.00 0.00 H new ATOM 0 HA VAL A 48 2.069 3.450 5.100 1.00 0.00 H new ATOM 0 HB VAL A 48 1.273 0.785 6.345 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.390 -0.018 5.392 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.279 0.576 4.135 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.657 1.578 4.650 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.350 0.966 7.655 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.607 2.605 7.010 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.203 2.268 8.050 1.00 0.00 H new ATOM 780 N ILE A 49 0.681 2.768 3.168 1.00 0.00 N ATOM 781 CA ILE A 49 -0.146 2.431 2.015 1.00 0.00 C ATOM 782 C ILE A 49 0.569 1.432 1.109 1.00 0.00 C ATOM 783 O ILE A 49 1.719 1.642 0.724 1.00 0.00 O ATOM 784 CB ILE A 49 -0.511 3.682 1.193 1.00 0.00 C ATOM 785 CG1 ILE A 49 -0.975 4.810 2.116 1.00 0.00 C ATOM 786 CG2 ILE A 49 -1.590 3.350 0.172 1.00 0.00 C ATOM 787 CD1 ILE A 49 -2.175 4.444 2.962 1.00 0.00 C ATOM 0 H ILE A 49 1.493 3.346 2.951 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.063 1.985 2.401 1.00 0.00 H new ATOM 0 HB ILE A 49 0.378 4.017 0.659 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.152 5.094 2.771 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.219 5.685 1.513 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.837 4.244 -0.401 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.226 2.576 -0.503 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.481 2.992 0.688 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.448 5.291 3.591 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.013 4.188 2.314 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.929 3.589 3.591 1.00 0.00 H new ATOM 799 N VAL A 50 -0.116 0.342 0.781 1.00 0.00 N ATOM 800 CA VAL A 50 0.459 -0.691 -0.073 1.00 0.00 C ATOM 801 C VAL A 50 -0.364 -0.893 -1.338 1.00 0.00 C ATOM 802 O VAL A 50 -1.450 -1.474 -1.304 1.00 0.00 O ATOM 803 CB VAL A 50 0.577 -2.033 0.674 1.00 0.00 C ATOM 804 CG1 VAL A 50 1.215 -3.093 -0.212 1.00 0.00 C ATOM 805 CG2 VAL A 50 1.374 -1.850 1.955 1.00 0.00 C ATOM 0 H VAL A 50 -1.068 0.151 1.093 1.00 0.00 H new ATOM 0 HA VAL A 50 1.455 -0.348 -0.351 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.425 -2.374 0.933 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.287 -4.031 0.338 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.603 -3.240 -1.102 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.212 -2.768 -0.508 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.451 -2.805 2.475 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.373 -1.487 1.713 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.870 -1.127 2.597 1.00 0.00 H new ATOM 815 N LEU A 51 0.167 -0.413 -2.454 1.00 0.00 N ATOM 816 CA LEU A 51 -0.506 -0.540 -3.740 1.00 0.00 C ATOM 817 C LEU A 51 -0.114 -1.843 -4.428 1.00 0.00 C ATOM 818 O LEU A 51 0.965 -2.384 -4.188 1.00 0.00 O ATOM 819 CB LEU A 51 -0.169 0.653 -4.641 1.00 0.00 C ATOM 820 CG LEU A 51 -0.687 0.549 -6.077 1.00 0.00 C ATOM 821 CD1 LEU A 51 -2.198 0.713 -6.111 1.00 0.00 C ATOM 822 CD2 LEU A 51 -0.015 1.589 -6.960 1.00 0.00 C ATOM 0 H LEU A 51 1.065 0.069 -2.495 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.581 -0.553 -3.561 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.577 1.557 -4.189 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.914 0.772 -4.670 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.441 -0.440 -6.463 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.549 0.636 -7.140 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.662 -0.069 -5.510 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.467 1.689 -5.708 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.394 1.502 -7.978 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.231 2.586 -6.576 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.063 1.425 -6.959 1.00 0.00 H new ATOM 834 N ASP A 52 -0.999 -2.341 -5.285 1.00 0.00 N ATOM 835 CA ASP A 52 -0.750 -3.581 -6.011 1.00 0.00 C ATOM 836 C ASP A 52 -1.362 -3.524 -7.407 1.00 0.00 C ATOM 837 O ASP A 52 -2.582 -3.562 -7.564 1.00 0.00 O ATOM 838 CB ASP A 52 -1.321 -4.772 -5.238 1.00 0.00 C ATOM 839 CG ASP A 52 -0.334 -5.918 -5.131 1.00 0.00 C ATOM 840 OD1 ASP A 52 0.432 -6.134 -6.092 1.00 0.00 O ATOM 841 OD2 ASP A 52 -0.330 -6.601 -4.085 1.00 0.00 O ATOM 0 H ASP A 52 -1.897 -1.904 -5.494 1.00 0.00 H new ATOM 0 HA ASP A 52 0.328 -3.706 -6.111 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.608 -4.448 -4.237 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.227 -5.122 -5.732 1.00 0.00 H new ATOM 846 N VAL A 53 -0.505 -3.432 -8.419 1.00 0.00 N ATOM 847 CA VAL A 53 -0.958 -3.368 -9.802 1.00 0.00 C ATOM 848 C VAL A 53 -1.151 -4.770 -10.380 1.00 0.00 C ATOM 849 O VAL A 53 -0.382 -5.212 -11.234 1.00 0.00 O ATOM 850 CB VAL A 53 0.037 -2.579 -10.680 1.00 0.00 C ATOM 851 CG1 VAL A 53 -0.368 -2.628 -12.147 1.00 0.00 C ATOM 852 CG2 VAL A 53 0.142 -1.138 -10.202 1.00 0.00 C ATOM 0 H VAL A 53 0.508 -3.400 -8.306 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.916 -2.848 -9.805 1.00 0.00 H new ATOM 0 HB VAL A 53 1.016 -3.049 -10.586 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.350 -2.064 -12.742 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.385 -3.664 -12.485 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.360 -2.191 -12.266 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.848 -0.596 -10.832 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.837 -0.663 -10.262 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.491 -1.122 -9.169 1.00 0.00 H new ATOM 862 N TRP A 54 -2.186 -5.463 -9.911 1.00 0.00 N ATOM 863 CA TRP A 54 -2.480 -6.809 -10.385 1.00 0.00 C ATOM 864 C TRP A 54 -3.029 -6.766 -11.811 1.00 0.00 C ATOM 865 O TRP A 54 -2.296 -6.993 -12.774 1.00 0.00 O ATOM 866 CB TRP A 54 -3.478 -7.498 -9.449 1.00 0.00 C ATOM 867 CG TRP A 54 -3.905 -8.856 -9.920 1.00 0.00 C ATOM 868 CD1 TRP A 54 -5.184 -9.308 -10.071 1.00 0.00 C ATOM 869 CD2 TRP A 54 -3.049 -9.939 -10.303 1.00 0.00 C ATOM 870 NE1 TRP A 54 -5.176 -10.604 -10.524 1.00 0.00 N ATOM 871 CE2 TRP A 54 -3.877 -11.014 -10.673 1.00 0.00 C ATOM 872 CE3 TRP A 54 -1.662 -10.103 -10.367 1.00 0.00 C ATOM 873 CZ2 TRP A 54 -3.364 -12.237 -11.102 1.00 0.00 C ATOM 874 CZ3 TRP A 54 -1.154 -11.315 -10.793 1.00 0.00 C ATOM 875 CH2 TRP A 54 -2.003 -12.369 -11.156 1.00 0.00 C ATOM 0 H TRP A 54 -2.833 -5.114 -9.204 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.554 -7.384 -10.389 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -3.031 -7.590 -8.459 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.360 -6.866 -9.343 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -6.073 -8.730 -9.864 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -6.002 -11.170 -10.718 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.000 -9.297 -10.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -4.017 -13.051 -11.382 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.084 -11.452 -10.847 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.575 -13.304 -11.485 1.00 0.00 H new ATOM 886 N MET A 55 -4.318 -6.467 -11.939 1.00 0.00 N ATOM 887 CA MET A 55 -4.956 -6.382 -13.247 1.00 0.00 C ATOM 888 C MET A 55 -6.122 -5.391 -13.224 1.00 0.00 C ATOM 889 O MET A 55 -7.249 -5.735 -13.580 1.00 0.00 O ATOM 890 CB MET A 55 -5.443 -7.768 -13.688 1.00 0.00 C ATOM 891 CG MET A 55 -4.659 -8.342 -14.858 1.00 0.00 C ATOM 892 SD MET A 55 -3.525 -9.653 -14.361 1.00 0.00 S ATOM 893 CE MET A 55 -4.663 -11.018 -14.145 1.00 0.00 C ATOM 0 H MET A 55 -4.940 -6.280 -11.153 1.00 0.00 H new ATOM 0 HA MET A 55 -4.219 -6.021 -13.964 1.00 0.00 H new ATOM 0 HB2 MET A 55 -5.375 -8.454 -12.844 1.00 0.00 H new ATOM 0 HB3 MET A 55 -6.496 -7.704 -13.963 1.00 0.00 H new ATOM 0 HG2 MET A 55 -5.356 -8.732 -15.600 1.00 0.00 H new ATOM 0 HG3 MET A 55 -4.095 -7.543 -15.339 1.00 0.00 H new ATOM 0 HE1 MET A 55 -4.104 -11.923 -13.906 1.00 0.00 H new ATOM 0 HE2 MET A 55 -5.353 -10.792 -13.332 1.00 0.00 H new ATOM 0 HE3 MET A 55 -5.226 -11.172 -15.066 1.00 0.00 H new ATOM 903 N PRO A 56 -5.868 -4.136 -12.803 1.00 0.00 N ATOM 904 CA PRO A 56 -6.888 -3.098 -12.732 1.00 0.00 C ATOM 905 C PRO A 56 -7.020 -2.330 -14.044 1.00 0.00 C ATOM 906 O PRO A 56 -6.664 -2.835 -15.109 1.00 0.00 O ATOM 907 CB PRO A 56 -6.376 -2.174 -11.613 1.00 0.00 C ATOM 908 CG PRO A 56 -4.982 -2.630 -11.292 1.00 0.00 C ATOM 909 CD PRO A 56 -4.577 -3.613 -12.356 1.00 0.00 C ATOM 0 HA PRO A 56 -7.880 -3.508 -12.542 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -6.379 -1.133 -11.937 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -7.017 -2.236 -10.734 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.296 -1.783 -11.270 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.947 -3.094 -10.306 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.030 -3.132 -13.167 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.934 -4.399 -11.960 1.00 0.00 H new ATOM 917 N ASP A 57 -7.532 -1.106 -13.960 1.00 0.00 N ATOM 918 CA ASP A 57 -7.709 -0.269 -15.141 1.00 0.00 C ATOM 919 C ASP A 57 -7.498 1.204 -14.803 1.00 0.00 C ATOM 920 O ASP A 57 -8.182 2.078 -15.336 1.00 0.00 O ATOM 921 CB ASP A 57 -9.104 -0.474 -15.732 1.00 0.00 C ATOM 922 CG ASP A 57 -9.350 -1.912 -16.148 1.00 0.00 C ATOM 923 OD1 ASP A 57 -8.997 -2.267 -17.293 1.00 0.00 O ATOM 924 OD2 ASP A 57 -9.894 -2.682 -15.330 1.00 0.00 O ATOM 0 H ASP A 57 -7.831 -0.672 -13.087 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.962 -0.563 -15.879 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -9.854 -0.178 -14.998 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -9.229 0.178 -16.597 1.00 0.00 H new ATOM 929 N GLY A 58 -6.547 1.474 -13.913 1.00 0.00 N ATOM 930 CA GLY A 58 -6.264 2.842 -13.521 1.00 0.00 C ATOM 931 C GLY A 58 -4.791 3.072 -13.244 1.00 0.00 C ATOM 932 O GLY A 58 -4.171 2.327 -12.486 1.00 0.00 O ATOM 0 H GLY A 58 -5.968 0.769 -13.457 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.592 3.518 -14.310 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.841 3.088 -12.630 1.00 0.00 H new ATOM 936 N ASP A 59 -4.231 4.110 -13.858 1.00 0.00 N ATOM 937 CA ASP A 59 -2.821 4.436 -13.673 1.00 0.00 C ATOM 938 C ASP A 59 -2.515 4.714 -12.204 1.00 0.00 C ATOM 939 O ASP A 59 -3.320 5.317 -11.496 1.00 0.00 O ATOM 940 CB ASP A 59 -2.440 5.649 -14.526 1.00 0.00 C ATOM 941 CG ASP A 59 -1.595 5.269 -15.726 1.00 0.00 C ATOM 942 OD1 ASP A 59 -1.933 4.272 -16.398 1.00 0.00 O ATOM 943 OD2 ASP A 59 -0.597 5.969 -15.995 1.00 0.00 O ATOM 0 H ASP A 59 -4.731 4.739 -14.487 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.230 3.577 -13.992 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.346 6.149 -14.867 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.893 6.364 -13.912 1.00 0.00 H new ATOM 948 N GLY A 60 -1.346 4.269 -11.753 1.00 0.00 N ATOM 949 CA GLY A 60 -0.957 4.479 -10.371 1.00 0.00 C ATOM 950 C GLY A 60 -0.007 5.648 -10.203 1.00 0.00 C ATOM 951 O GLY A 60 0.091 6.226 -9.120 1.00 0.00 O ATOM 0 H GLY A 60 -0.662 3.767 -12.320 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.849 4.651 -9.769 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.484 3.574 -9.989 1.00 0.00 H new ATOM 955 N VAL A 61 0.696 5.999 -11.277 1.00 0.00 N ATOM 956 CA VAL A 61 1.643 7.103 -11.250 1.00 0.00 C ATOM 957 C VAL A 61 0.995 8.386 -10.735 1.00 0.00 C ATOM 958 O VAL A 61 1.559 9.084 -9.893 1.00 0.00 O ATOM 959 CB VAL A 61 2.225 7.358 -12.651 1.00 0.00 C ATOM 960 CG1 VAL A 61 3.348 8.375 -12.582 1.00 0.00 C ATOM 961 CG2 VAL A 61 2.712 6.058 -13.274 1.00 0.00 C ATOM 0 H VAL A 61 0.625 5.530 -12.180 1.00 0.00 H new ATOM 0 HA VAL A 61 2.445 6.819 -10.569 1.00 0.00 H new ATOM 0 HB VAL A 61 1.435 7.763 -13.284 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.748 8.543 -13.582 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.965 9.314 -12.182 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.139 8.000 -11.933 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.120 6.260 -14.264 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.487 5.621 -12.644 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.878 5.361 -13.360 1.00 0.00 H new ATOM 971 N ASN A 62 -0.188 8.696 -11.256 1.00 0.00 N ATOM 972 CA ASN A 62 -0.911 9.884 -10.872 1.00 0.00 C ATOM 973 C ASN A 62 -1.566 9.740 -9.496 1.00 0.00 C ATOM 974 O ASN A 62 -2.145 10.695 -8.979 1.00 0.00 O ATOM 975 CB ASN A 62 -1.971 10.157 -11.927 1.00 0.00 C ATOM 976 CG ASN A 62 -2.901 8.977 -12.135 1.00 0.00 C ATOM 977 OD1 ASN A 62 -2.791 8.252 -13.123 1.00 0.00 O ATOM 978 ND2 ASN A 62 -3.825 8.782 -11.201 1.00 0.00 N ATOM 0 H ASN A 62 -0.664 8.126 -11.955 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.209 10.715 -10.803 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.556 11.029 -11.633 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.485 10.403 -12.871 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.481 8.005 -11.286 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -3.879 9.409 -10.398 1.00 0.00 H new ATOM 985 N PHE A 63 -1.484 8.549 -8.908 1.00 0.00 N ATOM 986 CA PHE A 63 -2.085 8.306 -7.600 1.00 0.00 C ATOM 987 C PHE A 63 -1.156 8.735 -6.467 1.00 0.00 C ATOM 988 O PHE A 63 -1.611 9.220 -5.432 1.00 0.00 O ATOM 989 CB PHE A 63 -2.450 6.830 -7.436 1.00 0.00 C ATOM 990 CG PHE A 63 -3.149 6.535 -6.139 1.00 0.00 C ATOM 991 CD1 PHE A 63 -4.159 7.367 -5.681 1.00 0.00 C ATOM 992 CD2 PHE A 63 -2.794 5.434 -5.375 1.00 0.00 C ATOM 993 CE1 PHE A 63 -4.802 7.107 -4.486 1.00 0.00 C ATOM 994 CE2 PHE A 63 -3.434 5.170 -4.178 1.00 0.00 C ATOM 995 CZ PHE A 63 -4.439 6.007 -3.733 1.00 0.00 C ATOM 0 H PHE A 63 -1.010 7.742 -9.314 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.993 8.907 -7.546 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.091 6.526 -8.264 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.543 6.229 -7.498 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.447 8.229 -6.265 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.010 4.776 -5.718 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.588 7.763 -4.141 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.148 4.310 -3.591 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.940 5.802 -2.798 1.00 0.00 H new ATOM 1005 N ILE A 64 0.146 8.546 -6.664 1.00 0.00 N ATOM 1006 CA ILE A 64 1.139 8.907 -5.653 1.00 0.00 C ATOM 1007 C ILE A 64 0.858 10.288 -5.061 1.00 0.00 C ATOM 1008 O ILE A 64 1.195 10.557 -3.907 1.00 0.00 O ATOM 1009 CB ILE A 64 2.568 8.888 -6.235 1.00 0.00 C ATOM 1010 CG1 ILE A 64 2.905 7.492 -6.765 1.00 0.00 C ATOM 1011 CG2 ILE A 64 3.584 9.320 -5.185 1.00 0.00 C ATOM 1012 CD1 ILE A 64 2.998 7.428 -8.273 1.00 0.00 C ATOM 0 H ILE A 64 0.540 8.145 -7.515 1.00 0.00 H new ATOM 0 HA ILE A 64 1.066 8.160 -4.863 1.00 0.00 H new ATOM 0 HB ILE A 64 2.613 9.596 -7.063 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.853 7.168 -6.336 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.144 6.789 -6.425 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.585 9.299 -5.617 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.354 10.332 -4.851 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.541 8.639 -4.335 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.240 6.410 -8.580 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.043 7.722 -8.709 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.778 8.106 -8.619 1.00 0.00 H new ATOM 1024 N ASP A 65 0.245 11.158 -5.854 1.00 0.00 N ATOM 1025 CA ASP A 65 -0.072 12.505 -5.398 1.00 0.00 C ATOM 1026 C ASP A 65 -1.216 12.489 -4.392 1.00 0.00 C ATOM 1027 O ASP A 65 -1.102 13.061 -3.313 1.00 0.00 O ATOM 1028 CB ASP A 65 -0.425 13.405 -6.585 1.00 0.00 C ATOM 1029 CG ASP A 65 -0.487 14.870 -6.200 1.00 0.00 C ATOM 1030 OD1 ASP A 65 -1.301 15.219 -5.319 1.00 0.00 O ATOM 1031 OD2 ASP A 65 0.277 15.669 -6.781 1.00 0.00 O ATOM 0 H ASP A 65 -0.041 10.956 -6.812 1.00 0.00 H new ATOM 0 HA ASP A 65 0.812 12.907 -4.903 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.316 13.270 -7.373 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.387 13.099 -6.996 1.00 0.00 H new ATOM 1036 N PHE A 66 -2.326 11.841 -4.735 1.00 0.00 N ATOM 1037 CA PHE A 66 -3.469 11.776 -3.829 1.00 0.00 C ATOM 1038 C PHE A 66 -3.028 11.317 -2.443 1.00 0.00 C ATOM 1039 O PHE A 66 -3.474 11.851 -1.428 1.00 0.00 O ATOM 1040 CB PHE A 66 -4.527 10.821 -4.388 1.00 0.00 C ATOM 1041 CG PHE A 66 -5.754 10.700 -3.529 1.00 0.00 C ATOM 1042 CD1 PHE A 66 -5.704 10.045 -2.309 1.00 0.00 C ATOM 1043 CD2 PHE A 66 -6.961 11.240 -3.946 1.00 0.00 C ATOM 1044 CE1 PHE A 66 -6.833 9.932 -1.521 1.00 0.00 C ATOM 1045 CE2 PHE A 66 -8.094 11.128 -3.162 1.00 0.00 C ATOM 1046 CZ PHE A 66 -8.029 10.475 -1.948 1.00 0.00 C ATOM 0 H PHE A 66 -2.458 11.358 -5.624 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.901 12.773 -3.742 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.822 11.163 -5.380 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.082 9.833 -4.510 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.772 9.618 -1.970 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.017 11.754 -4.894 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.780 9.419 -0.572 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -9.029 11.551 -3.499 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.912 10.389 -1.333 1.00 0.00 H new ATOM 1056 N ILE A 67 -2.140 10.328 -2.411 1.00 0.00 N ATOM 1057 CA ILE A 67 -1.630 9.806 -1.152 1.00 0.00 C ATOM 1058 C ILE A 67 -0.852 10.883 -0.404 1.00 0.00 C ATOM 1059 O ILE A 67 -1.097 11.132 0.774 1.00 0.00 O ATOM 1060 CB ILE A 67 -0.727 8.573 -1.374 1.00 0.00 C ATOM 1061 CG1 ILE A 67 -1.534 7.432 -2.000 1.00 0.00 C ATOM 1062 CG2 ILE A 67 -0.096 8.120 -0.062 1.00 0.00 C ATOM 1063 CD1 ILE A 67 -1.353 7.312 -3.497 1.00 0.00 C ATOM 0 H ILE A 67 -1.761 9.874 -3.242 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.488 9.499 -0.554 1.00 0.00 H new ATOM 0 HB ILE A 67 0.074 8.853 -2.058 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -1.243 6.492 -1.531 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.591 7.583 -1.781 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.536 7.250 -0.243 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.509 8.928 0.349 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.881 7.857 0.647 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.954 6.483 -3.871 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.672 8.237 -3.977 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -0.302 7.129 -3.723 1.00 0.00 H new ATOM 1075 N LYS A 68 0.078 11.531 -1.097 1.00 0.00 N ATOM 1076 CA LYS A 68 0.875 12.587 -0.485 1.00 0.00 C ATOM 1077 C LYS A 68 0.038 13.852 -0.291 1.00 0.00 C ATOM 1078 O LYS A 68 0.419 14.751 0.459 1.00 0.00 O ATOM 1079 CB LYS A 68 2.105 12.894 -1.339 1.00 0.00 C ATOM 1080 CG LYS A 68 1.769 13.362 -2.733 1.00 0.00 C ATOM 1081 CD LYS A 68 1.697 14.878 -2.816 1.00 0.00 C ATOM 1082 CE LYS A 68 2.311 15.396 -4.106 1.00 0.00 C ATOM 1083 NZ LYS A 68 2.536 16.868 -4.063 1.00 0.00 N ATOM 0 H LYS A 68 0.297 11.345 -2.076 1.00 0.00 H new ATOM 0 HA LYS A 68 1.207 12.238 0.493 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.701 13.659 -0.841 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.725 12.000 -1.404 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.521 12.995 -3.431 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.814 12.935 -3.040 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.657 15.198 -2.753 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.217 15.315 -1.963 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.259 14.889 -4.286 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.656 15.153 -4.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.956 17.181 -4.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.628 17.354 -3.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.181 17.098 -3.281 1.00 0.00 H new ATOM 1097 N GLU A 69 -1.105 13.912 -0.972 1.00 0.00 N ATOM 1098 CA GLU A 69 -2.002 15.058 -0.878 1.00 0.00 C ATOM 1099 C GLU A 69 -2.729 15.063 0.459 1.00 0.00 C ATOM 1100 O GLU A 69 -2.728 16.064 1.177 1.00 0.00 O ATOM 1101 CB GLU A 69 -3.016 15.030 -2.020 1.00 0.00 C ATOM 1102 CG GLU A 69 -3.678 16.374 -2.279 1.00 0.00 C ATOM 1103 CD GLU A 69 -5.192 16.300 -2.225 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -5.742 16.234 -1.105 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -5.827 16.308 -3.300 1.00 0.00 O ATOM 0 H GLU A 69 -1.431 13.175 -1.597 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.405 15.967 -0.953 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.516 14.699 -2.930 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.786 14.293 -1.793 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.327 17.096 -1.541 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.371 16.743 -3.257 1.00 0.00 H new ATOM 1112 N ASN A 70 -3.351 13.936 0.785 1.00 0.00 N ATOM 1113 CA ASN A 70 -4.087 13.800 2.035 1.00 0.00 C ATOM 1114 C ASN A 70 -3.395 12.812 2.971 1.00 0.00 C ATOM 1115 O ASN A 70 -4.010 12.284 3.898 1.00 0.00 O ATOM 1116 CB ASN A 70 -5.522 13.343 1.756 1.00 0.00 C ATOM 1117 CG ASN A 70 -6.125 14.042 0.552 1.00 0.00 C ATOM 1118 OD1 ASN A 70 -5.691 13.646 -0.641 1.00 0.00 O flip ATOM 1119 ND2 ASN A 70 -6.969 14.927 0.690 1.00 0.00 N flip ATOM 0 H ASN A 70 -3.360 13.101 0.199 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.112 14.774 2.523 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.532 12.266 1.591 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.140 13.537 2.633 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -7.274 15.200 1.624 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -7.364 15.388 -0.130 1.00 0.00 H new ATOM 1126 N SER A 71 -2.110 12.568 2.721 1.00 0.00 N ATOM 1127 CA SER A 71 -1.333 11.647 3.539 1.00 0.00 C ATOM 1128 C SER A 71 0.163 11.849 3.306 1.00 0.00 C ATOM 1129 O SER A 71 0.852 10.956 2.812 1.00 0.00 O ATOM 1130 CB SER A 71 -1.724 10.200 3.224 1.00 0.00 C ATOM 1131 OG SER A 71 -2.467 9.628 4.285 1.00 0.00 O ATOM 0 H SER A 71 -1.587 12.997 1.957 1.00 0.00 H new ATOM 0 HA SER A 71 -1.550 11.852 4.587 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.313 10.171 2.307 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.826 9.609 3.045 1.00 0.00 H new ATOM 0 HG SER A 71 -3.194 10.234 4.540 1.00 0.00 H new ATOM 1137 N PRO A 72 0.693 13.031 3.663 1.00 0.00 N ATOM 1138 CA PRO A 72 2.110 13.342 3.492 1.00 0.00 C ATOM 1139 C PRO A 72 2.975 12.659 4.544 1.00 0.00 C ATOM 1140 O PRO A 72 4.199 12.601 4.420 1.00 0.00 O ATOM 1141 CB PRO A 72 2.180 14.870 3.648 1.00 0.00 C ATOM 1142 CG PRO A 72 0.766 15.340 3.803 1.00 0.00 C ATOM 1143 CD PRO A 72 -0.034 14.155 4.261 1.00 0.00 C ATOM 0 HA PRO A 72 2.487 12.991 2.532 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.779 15.146 4.516 1.00 0.00 H new ATOM 0 HB3 PRO A 72 2.650 15.329 2.778 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.705 16.152 4.528 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.381 15.726 2.859 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -0.068 14.084 5.348 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.066 14.203 3.912 1.00 0.00 H new ATOM 1151 N ASP A 73 2.325 12.146 5.578 1.00 0.00 N ATOM 1152 CA ASP A 73 3.019 11.463 6.662 1.00 0.00 C ATOM 1153 C ASP A 73 2.751 9.960 6.625 1.00 0.00 C ATOM 1154 O ASP A 73 2.829 9.281 7.649 1.00 0.00 O ATOM 1155 CB ASP A 73 2.586 12.035 8.009 1.00 0.00 C ATOM 1156 CG ASP A 73 3.753 12.236 8.954 1.00 0.00 C ATOM 1157 OD1 ASP A 73 4.811 12.718 8.498 1.00 0.00 O ATOM 1158 OD2 ASP A 73 3.610 11.910 10.152 1.00 0.00 O ATOM 0 H ASP A 73 1.312 12.190 5.690 1.00 0.00 H new ATOM 0 HA ASP A 73 4.089 11.624 6.531 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.082 12.988 7.851 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.861 11.364 8.469 1.00 0.00 H new ATOM 1163 N SER A 74 2.435 9.446 5.439 1.00 0.00 N ATOM 1164 CA SER A 74 2.156 8.024 5.274 1.00 0.00 C ATOM 1165 C SER A 74 3.283 7.331 4.516 1.00 0.00 C ATOM 1166 O SER A 74 4.320 7.935 4.238 1.00 0.00 O ATOM 1167 CB SER A 74 0.831 7.827 4.535 1.00 0.00 C ATOM 1168 OG SER A 74 0.521 6.450 4.402 1.00 0.00 O ATOM 0 H SER A 74 2.366 9.992 4.580 1.00 0.00 H new ATOM 0 HA SER A 74 2.082 7.576 6.265 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.031 8.333 5.076 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.889 8.287 3.548 1.00 0.00 H new ATOM 0 HG SER A 74 -0.259 6.235 4.955 1.00 0.00 H new ATOM 1174 N VAL A 75 3.076 6.060 4.185 1.00 0.00 N ATOM 1175 CA VAL A 75 4.078 5.288 3.460 1.00 0.00 C ATOM 1176 C VAL A 75 3.504 4.707 2.171 1.00 0.00 C ATOM 1177 O VAL A 75 2.288 4.620 2.001 1.00 0.00 O ATOM 1178 CB VAL A 75 4.643 4.144 4.326 1.00 0.00 C ATOM 1179 CG1 VAL A 75 5.826 3.482 3.635 1.00 0.00 C ATOM 1180 CG2 VAL A 75 5.042 4.663 5.699 1.00 0.00 C ATOM 0 H VAL A 75 2.225 5.544 4.407 1.00 0.00 H new ATOM 0 HA VAL A 75 4.886 5.976 3.212 1.00 0.00 H new ATOM 0 HB VAL A 75 3.863 3.394 4.457 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.210 2.678 4.262 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.506 3.073 2.677 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.611 4.220 3.470 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.439 3.843 6.297 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.805 5.434 5.589 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.169 5.085 6.196 1.00 0.00 H new ATOM 1190 N VAL A 76 4.394 4.312 1.269 1.00 0.00 N ATOM 1191 CA VAL A 76 3.987 3.736 -0.007 1.00 0.00 C ATOM 1192 C VAL A 76 4.889 2.575 -0.405 1.00 0.00 C ATOM 1193 O VAL A 76 6.028 2.776 -0.827 1.00 0.00 O ATOM 1194 CB VAL A 76 4.000 4.786 -1.137 1.00 0.00 C ATOM 1195 CG1 VAL A 76 2.994 4.419 -2.216 1.00 0.00 C ATOM 1196 CG2 VAL A 76 3.718 6.177 -0.586 1.00 0.00 C ATOM 0 H VAL A 76 5.404 4.380 1.398 1.00 0.00 H new ATOM 0 HA VAL A 76 2.968 3.373 0.130 1.00 0.00 H new ATOM 0 HB VAL A 76 4.994 4.796 -1.584 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.017 5.170 -3.005 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.248 3.445 -2.635 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.995 4.378 -1.783 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.732 6.901 -1.401 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.738 6.187 -0.108 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.481 6.440 0.146 1.00 0.00 H new ATOM 1206 N ILE A 77 4.369 1.360 -0.274 1.00 0.00 N ATOM 1207 CA ILE A 77 5.125 0.165 -0.625 1.00 0.00 C ATOM 1208 C ILE A 77 4.597 -0.452 -1.915 1.00 0.00 C ATOM 1209 O ILE A 77 4.476 -1.670 -2.030 1.00 0.00 O ATOM 1210 CB ILE A 77 5.071 -0.889 0.499 1.00 0.00 C ATOM 1211 CG1 ILE A 77 5.425 -0.251 1.843 1.00 0.00 C ATOM 1212 CG2 ILE A 77 6.012 -2.048 0.191 1.00 0.00 C ATOM 1213 CD1 ILE A 77 6.787 0.410 1.860 1.00 0.00 C ATOM 0 H ILE A 77 3.427 1.177 0.073 1.00 0.00 H new ATOM 0 HA ILE A 77 6.161 0.474 -0.767 1.00 0.00 H new ATOM 0 HB ILE A 77 4.055 -1.280 0.559 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.667 0.491 2.094 1.00 0.00 H new ATOM 0 HG13 ILE A 77 5.392 -1.016 2.619 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.961 -2.782 0.995 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.717 -2.517 -0.748 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.033 -1.675 0.105 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.970 0.841 2.844 1.00 0.00 H new ATOM 0 HD12 ILE A 77 7.554 -0.332 1.640 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.818 1.198 1.108 1.00 0.00 H new ATOM 1225 N VAL A 78 4.286 0.403 -2.888 1.00 0.00 N ATOM 1226 CA VAL A 78 3.773 -0.052 -4.178 1.00 0.00 C ATOM 1227 C VAL A 78 4.600 -1.219 -4.714 1.00 0.00 C ATOM 1228 O VAL A 78 5.658 -1.020 -5.310 1.00 0.00 O ATOM 1229 CB VAL A 78 3.773 1.094 -5.211 1.00 0.00 C ATOM 1230 CG1 VAL A 78 3.219 0.619 -6.547 1.00 0.00 C ATOM 1231 CG2 VAL A 78 2.976 2.281 -4.689 1.00 0.00 C ATOM 0 H VAL A 78 4.381 1.415 -2.807 1.00 0.00 H new ATOM 0 HA VAL A 78 2.747 -0.385 -4.020 1.00 0.00 H new ATOM 0 HB VAL A 78 4.803 1.413 -5.368 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.229 1.444 -7.259 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.835 -0.196 -6.927 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.196 0.268 -6.413 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.986 3.080 -5.430 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.947 1.974 -4.501 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.423 2.640 -3.762 1.00 0.00 H new ATOM 1241 N ILE A 79 4.115 -2.434 -4.491 1.00 0.00 N ATOM 1242 CA ILE A 79 4.812 -3.631 -4.941 1.00 0.00 C ATOM 1243 C ILE A 79 4.737 -3.784 -6.462 1.00 0.00 C ATOM 1244 O ILE A 79 5.473 -3.122 -7.194 1.00 0.00 O ATOM 1245 CB ILE A 79 4.261 -4.895 -4.245 1.00 0.00 C ATOM 1246 CG1 ILE A 79 4.224 -4.692 -2.731 1.00 0.00 C ATOM 1247 CG2 ILE A 79 5.110 -6.105 -4.602 1.00 0.00 C ATOM 1248 CD1 ILE A 79 3.366 -5.705 -2.004 1.00 0.00 C ATOM 0 H ILE A 79 3.240 -2.616 -4.000 1.00 0.00 H new ATOM 0 HA ILE A 79 5.860 -3.517 -4.663 1.00 0.00 H new ATOM 0 HB ILE A 79 3.244 -5.073 -4.594 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.241 -4.743 -2.341 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.850 -3.691 -2.516 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.711 -6.989 -4.105 1.00 0.00 H new ATOM 0 HG22 ILE A 79 5.092 -6.256 -5.681 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.137 -5.938 -4.276 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.387 -5.499 -0.934 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.340 -5.639 -2.366 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.752 -6.708 -2.188 1.00 0.00 H new ATOM 1260 N THR A 80 3.852 -4.653 -6.933 1.00 0.00 N ATOM 1261 CA THR A 80 3.685 -4.890 -8.365 1.00 0.00 C ATOM 1262 C THR A 80 4.900 -5.616 -8.937 1.00 0.00 C ATOM 1263 O THR A 80 6.040 -5.212 -8.712 1.00 0.00 O ATOM 1264 CB THR A 80 3.462 -3.569 -9.115 1.00 0.00 C ATOM 1265 OG1 THR A 80 4.693 -3.022 -9.553 1.00 0.00 O ATOM 1266 CG2 THR A 80 2.763 -2.512 -8.287 1.00 0.00 C ATOM 0 H THR A 80 3.234 -5.209 -6.342 1.00 0.00 H new ATOM 0 HA THR A 80 2.805 -5.519 -8.499 1.00 0.00 H new ATOM 0 HB THR A 80 2.821 -3.829 -9.957 1.00 0.00 H new ATOM 0 HG1 THR A 80 5.137 -2.574 -8.803 1.00 0.00 H new ATOM 0 HG21 THR A 80 2.640 -1.607 -8.882 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.784 -2.880 -7.979 1.00 0.00 H new ATOM 0 HG23 THR A 80 3.361 -2.287 -7.404 1.00 0.00 H new ATOM 1274 N GLY A 81 4.647 -6.692 -9.676 1.00 0.00 N ATOM 1275 CA GLY A 81 5.730 -7.457 -10.267 1.00 0.00 C ATOM 1276 C GLY A 81 5.572 -7.628 -11.765 1.00 0.00 C ATOM 1277 O GLY A 81 5.688 -6.666 -12.523 1.00 0.00 O ATOM 0 H GLY A 81 3.712 -7.048 -9.876 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.677 -6.959 -10.060 1.00 0.00 H new ATOM 0 HA3 GLY A 81 5.776 -8.439 -9.796 1.00 0.00 H new ATOM 1281 N HIS A 82 5.306 -8.860 -12.191 1.00 0.00 N ATOM 1282 CA HIS A 82 5.132 -9.164 -13.607 1.00 0.00 C ATOM 1283 C HIS A 82 6.414 -8.888 -14.389 1.00 0.00 C ATOM 1284 O HIS A 82 7.174 -9.806 -14.694 1.00 0.00 O ATOM 1285 CB HIS A 82 3.973 -8.350 -14.190 1.00 0.00 C ATOM 1286 CG HIS A 82 2.628 -8.940 -13.905 1.00 0.00 C ATOM 1287 ND1 HIS A 82 1.831 -9.504 -14.879 1.00 0.00 N ATOM 1288 CD2 HIS A 82 1.937 -9.053 -12.745 1.00 0.00 C ATOM 1289 CE1 HIS A 82 0.710 -9.937 -14.332 1.00 0.00 C ATOM 1290 NE2 HIS A 82 0.749 -9.677 -13.038 1.00 0.00 N ATOM 0 H HIS A 82 5.206 -9.665 -11.573 1.00 0.00 H new ATOM 0 HA HIS A 82 4.899 -10.225 -13.697 1.00 0.00 H new ATOM 0 HB2 HIS A 82 4.010 -7.338 -13.786 1.00 0.00 H new ATOM 0 HB3 HIS A 82 4.104 -8.267 -15.269 1.00 0.00 H new ATOM 0 HD2 HIS A 82 2.260 -8.715 -11.771 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -0.101 -10.422 -14.854 1.00 0.00 H new ATOM 0 HE2 HIS A 82 0.016 -9.903 -12.365 1.00 0.00 H new ATOM 1299 N GLY A 83 6.650 -7.619 -14.708 1.00 0.00 N ATOM 1300 CA GLY A 83 7.842 -7.251 -15.449 1.00 0.00 C ATOM 1301 C GLY A 83 7.842 -5.793 -15.864 1.00 0.00 C ATOM 1302 O GLY A 83 8.058 -5.473 -17.033 1.00 0.00 O ATOM 0 H GLY A 83 6.037 -6.840 -14.467 1.00 0.00 H new ATOM 0 HA2 GLY A 83 8.722 -7.451 -14.838 1.00 0.00 H new ATOM 0 HA3 GLY A 83 7.922 -7.878 -16.337 1.00 0.00 H new ATOM 1306 N SER A 84 7.600 -4.906 -14.905 1.00 0.00 N ATOM 1307 CA SER A 84 7.573 -3.473 -15.176 1.00 0.00 C ATOM 1308 C SER A 84 8.457 -2.716 -14.191 1.00 0.00 C ATOM 1309 O SER A 84 7.967 -2.145 -13.215 1.00 0.00 O ATOM 1310 CB SER A 84 6.139 -2.944 -15.103 1.00 0.00 C ATOM 1311 OG SER A 84 5.934 -1.893 -16.031 1.00 0.00 O ATOM 0 H SER A 84 7.420 -5.154 -13.932 1.00 0.00 H new ATOM 0 HA SER A 84 7.961 -3.313 -16.182 1.00 0.00 H new ATOM 0 HB2 SER A 84 5.439 -3.754 -15.306 1.00 0.00 H new ATOM 0 HB3 SER A 84 5.931 -2.588 -14.094 1.00 0.00 H new ATOM 0 HG SER A 84 5.010 -1.574 -15.965 1.00 0.00 H new ATOM 1317 N VAL A 85 9.761 -2.712 -14.452 1.00 0.00 N ATOM 1318 CA VAL A 85 10.709 -2.022 -13.587 1.00 0.00 C ATOM 1319 C VAL A 85 10.645 -0.513 -13.800 1.00 0.00 C ATOM 1320 O VAL A 85 10.885 0.266 -12.875 1.00 0.00 O ATOM 1321 CB VAL A 85 12.151 -2.509 -13.831 1.00 0.00 C ATOM 1322 CG1 VAL A 85 12.580 -2.229 -15.264 1.00 0.00 C ATOM 1323 CG2 VAL A 85 13.112 -1.863 -12.843 1.00 0.00 C ATOM 0 H VAL A 85 10.184 -3.178 -15.255 1.00 0.00 H new ATOM 0 HA VAL A 85 10.429 -2.252 -12.559 1.00 0.00 H new ATOM 0 HB VAL A 85 12.177 -3.587 -13.674 1.00 0.00 H new ATOM 0 HG11 VAL A 85 13.601 -2.581 -15.414 1.00 0.00 H new ATOM 0 HG12 VAL A 85 11.913 -2.748 -15.952 1.00 0.00 H new ATOM 0 HG13 VAL A 85 12.534 -1.157 -15.455 1.00 0.00 H new ATOM 0 HG21 VAL A 85 14.124 -2.221 -13.033 1.00 0.00 H new ATOM 0 HG22 VAL A 85 13.082 -0.780 -12.961 1.00 0.00 H new ATOM 0 HG23 VAL A 85 12.819 -2.125 -11.826 1.00 0.00 H new ATOM 1333 N ASP A 86 10.316 -0.105 -15.022 1.00 0.00 N ATOM 1334 CA ASP A 86 10.216 1.311 -15.356 1.00 0.00 C ATOM 1335 C ASP A 86 9.005 1.952 -14.682 1.00 0.00 C ATOM 1336 O ASP A 86 8.900 3.177 -14.617 1.00 0.00 O ATOM 1337 CB ASP A 86 10.127 1.492 -16.873 1.00 0.00 C ATOM 1338 CG ASP A 86 8.925 0.788 -17.470 1.00 0.00 C ATOM 1339 OD1 ASP A 86 8.831 -0.449 -17.330 1.00 0.00 O ATOM 1340 OD2 ASP A 86 8.078 1.474 -18.080 1.00 0.00 O ATOM 0 H ASP A 86 10.114 -0.736 -15.798 1.00 0.00 H new ATOM 0 HA ASP A 86 11.114 1.808 -14.988 1.00 0.00 H new ATOM 0 HB2 ASP A 86 10.075 2.555 -17.107 1.00 0.00 H new ATOM 0 HB3 ASP A 86 11.036 1.108 -17.336 1.00 0.00 H new ATOM 1345 N THR A 87 8.099 1.123 -14.166 1.00 0.00 N ATOM 1346 CA THR A 87 6.913 1.629 -13.486 1.00 0.00 C ATOM 1347 C THR A 87 7.262 2.007 -12.053 1.00 0.00 C ATOM 1348 O THR A 87 6.744 2.982 -11.510 1.00 0.00 O ATOM 1349 CB THR A 87 5.787 0.586 -13.515 1.00 0.00 C ATOM 1350 OG1 THR A 87 4.520 1.220 -13.518 1.00 0.00 O ATOM 1351 CG2 THR A 87 5.808 -0.381 -12.345 1.00 0.00 C ATOM 0 H THR A 87 8.164 0.106 -14.206 1.00 0.00 H new ATOM 0 HA THR A 87 6.559 2.519 -14.007 1.00 0.00 H new ATOM 0 HB THR A 87 5.958 0.017 -14.429 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.814 0.540 -13.538 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.981 -1.085 -12.440 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.751 -0.927 -12.341 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.707 0.174 -11.412 1.00 0.00 H new ATOM 1359 N ALA A 88 8.163 1.232 -11.458 1.00 0.00 N ATOM 1360 CA ALA A 88 8.608 1.486 -10.097 1.00 0.00 C ATOM 1361 C ALA A 88 9.214 2.873 -9.995 1.00 0.00 C ATOM 1362 O ALA A 88 8.769 3.708 -9.209 1.00 0.00 O ATOM 1363 CB ALA A 88 9.628 0.441 -9.678 1.00 0.00 C ATOM 0 H ALA A 88 8.598 0.422 -11.900 1.00 0.00 H new ATOM 0 HA ALA A 88 7.748 1.428 -9.430 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.955 0.640 -8.657 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.175 -0.549 -9.727 1.00 0.00 H new ATOM 0 HB3 ALA A 88 10.487 0.481 -10.348 1.00 0.00 H new ATOM 1369 N VAL A 89 10.234 3.109 -10.806 1.00 0.00 N ATOM 1370 CA VAL A 89 10.917 4.391 -10.829 1.00 0.00 C ATOM 1371 C VAL A 89 9.956 5.525 -11.182 1.00 0.00 C ATOM 1372 O VAL A 89 10.144 6.665 -10.761 1.00 0.00 O ATOM 1373 CB VAL A 89 12.084 4.381 -11.839 1.00 0.00 C ATOM 1374 CG1 VAL A 89 13.048 3.248 -11.528 1.00 0.00 C ATOM 1375 CG2 VAL A 89 11.561 4.263 -13.265 1.00 0.00 C ATOM 0 H VAL A 89 10.608 2.423 -11.461 1.00 0.00 H new ATOM 0 HA VAL A 89 11.312 4.560 -9.827 1.00 0.00 H new ATOM 0 HB VAL A 89 12.622 5.325 -11.750 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.864 3.256 -12.250 1.00 0.00 H new ATOM 0 HG12 VAL A 89 13.451 3.378 -10.524 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.521 2.296 -11.587 1.00 0.00 H new ATOM 0 HG21 VAL A 89 12.400 4.258 -13.961 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.997 3.336 -13.370 1.00 0.00 H new ATOM 0 HG23 VAL A 89 10.912 5.110 -13.486 1.00 0.00 H new ATOM 1385 N LYS A 90 8.925 5.202 -11.962 1.00 0.00 N ATOM 1386 CA LYS A 90 7.939 6.196 -12.373 1.00 0.00 C ATOM 1387 C LYS A 90 6.977 6.536 -11.235 1.00 0.00 C ATOM 1388 O LYS A 90 6.228 7.509 -11.318 1.00 0.00 O ATOM 1389 CB LYS A 90 7.153 5.689 -13.584 1.00 0.00 C ATOM 1390 CG LYS A 90 6.097 6.665 -14.078 1.00 0.00 C ATOM 1391 CD LYS A 90 5.571 6.272 -15.448 1.00 0.00 C ATOM 1392 CE LYS A 90 6.601 6.531 -16.535 1.00 0.00 C ATOM 1393 NZ LYS A 90 6.071 6.215 -17.890 1.00 0.00 N ATOM 0 H LYS A 90 8.753 4.263 -12.320 1.00 0.00 H new ATOM 0 HA LYS A 90 8.477 7.105 -12.643 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.849 5.479 -14.396 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.671 4.746 -13.325 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.272 6.700 -13.367 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.521 7.668 -14.124 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.300 5.216 -15.446 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.662 6.834 -15.665 1.00 0.00 H new ATOM 0 HE2 LYS A 90 6.910 7.576 -16.501 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.490 5.930 -16.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 6.804 6.405 -18.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.800 5.212 -17.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.238 6.807 -18.084 1.00 0.00 H new ATOM 1407 N ALA A 91 6.992 5.728 -10.178 1.00 0.00 N ATOM 1408 CA ALA A 91 6.110 5.952 -9.038 1.00 0.00 C ATOM 1409 C ALA A 91 6.903 6.254 -7.771 1.00 0.00 C ATOM 1410 O ALA A 91 6.480 7.061 -6.942 1.00 0.00 O ATOM 1411 CB ALA A 91 5.215 4.741 -8.824 1.00 0.00 C ATOM 0 H ALA A 91 7.603 4.916 -10.088 1.00 0.00 H new ATOM 0 HA ALA A 91 5.490 6.821 -9.258 1.00 0.00 H new ATOM 0 HB1 ALA A 91 4.561 4.919 -7.971 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.611 4.573 -9.716 1.00 0.00 H new ATOM 0 HB3 ALA A 91 5.831 3.863 -8.632 1.00 0.00 H new ATOM 1417 N ILE A 92 8.048 5.599 -7.622 1.00 0.00 N ATOM 1418 CA ILE A 92 8.891 5.798 -6.451 1.00 0.00 C ATOM 1419 C ILE A 92 9.727 7.066 -6.591 1.00 0.00 C ATOM 1420 O ILE A 92 9.750 7.688 -7.654 1.00 0.00 O ATOM 1421 CB ILE A 92 9.816 4.581 -6.197 1.00 0.00 C ATOM 1422 CG1 ILE A 92 11.108 4.688 -7.018 1.00 0.00 C ATOM 1423 CG2 ILE A 92 9.085 3.282 -6.521 1.00 0.00 C ATOM 1424 CD1 ILE A 92 11.950 3.428 -6.998 1.00 0.00 C ATOM 0 H ILE A 92 8.413 4.927 -8.297 1.00 0.00 H new ATOM 0 HA ILE A 92 8.227 5.904 -5.593 1.00 0.00 H new ATOM 0 HB ILE A 92 10.087 4.577 -5.141 1.00 0.00 H new ATOM 0 HG12 ILE A 92 10.853 4.927 -8.050 1.00 0.00 H new ATOM 0 HG13 ILE A 92 11.703 5.518 -6.636 1.00 0.00 H new ATOM 0 HG21 ILE A 92 9.748 2.436 -6.338 1.00 0.00 H new ATOM 0 HG22 ILE A 92 8.201 3.194 -5.889 1.00 0.00 H new ATOM 0 HG23 ILE A 92 8.783 3.286 -7.568 1.00 0.00 H new ATOM 0 HD11 ILE A 92 12.846 3.580 -7.600 1.00 0.00 H new ATOM 0 HD12 ILE A 92 12.237 3.198 -5.972 1.00 0.00 H new ATOM 0 HD13 ILE A 92 11.374 2.599 -7.408 1.00 0.00 H new ATOM 1436 N LYS A 93 10.401 7.451 -5.511 1.00 0.00 N ATOM 1437 CA LYS A 93 11.234 8.653 -5.499 1.00 0.00 C ATOM 1438 C LYS A 93 10.366 9.908 -5.471 1.00 0.00 C ATOM 1439 O LYS A 93 10.611 10.827 -4.689 1.00 0.00 O ATOM 1440 CB LYS A 93 12.175 8.684 -6.711 1.00 0.00 C ATOM 1441 CG LYS A 93 13.632 8.450 -6.351 1.00 0.00 C ATOM 1442 CD LYS A 93 13.998 6.978 -6.440 1.00 0.00 C ATOM 1443 CE LYS A 93 15.504 6.780 -6.498 1.00 0.00 C ATOM 1444 NZ LYS A 93 16.149 7.026 -5.179 1.00 0.00 N ATOM 0 H LYS A 93 10.387 6.945 -4.626 1.00 0.00 H new ATOM 0 HA LYS A 93 11.843 8.629 -4.595 1.00 0.00 H new ATOM 0 HB2 LYS A 93 11.859 7.925 -7.426 1.00 0.00 H new ATOM 0 HB3 LYS A 93 12.082 9.649 -7.209 1.00 0.00 H new ATOM 0 HG2 LYS A 93 14.270 9.026 -7.021 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.821 8.813 -5.341 1.00 0.00 H new ATOM 0 HD2 LYS A 93 13.594 6.449 -5.577 1.00 0.00 H new ATOM 0 HD3 LYS A 93 13.538 6.541 -7.326 1.00 0.00 H new ATOM 0 HE2 LYS A 93 15.724 5.764 -6.825 1.00 0.00 H new ATOM 0 HE3 LYS A 93 15.930 7.454 -7.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 17.175 6.880 -5.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 15.961 8.004 -4.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 15.762 6.366 -4.475 1.00 0.00 H new ATOM 1458 N LYS A 94 9.347 9.934 -6.322 1.00 0.00 N ATOM 1459 CA LYS A 94 8.435 11.068 -6.389 1.00 0.00 C ATOM 1460 C LYS A 94 7.696 11.248 -5.065 1.00 0.00 C ATOM 1461 O LYS A 94 7.204 12.334 -4.762 1.00 0.00 O ATOM 1462 CB LYS A 94 7.434 10.873 -7.525 1.00 0.00 C ATOM 1463 CG LYS A 94 7.149 12.145 -8.310 1.00 0.00 C ATOM 1464 CD LYS A 94 5.749 12.671 -8.039 1.00 0.00 C ATOM 1465 CE LYS A 94 5.204 13.444 -9.229 1.00 0.00 C ATOM 1466 NZ LYS A 94 4.989 12.565 -10.411 1.00 0.00 N ATOM 0 H LYS A 94 9.132 9.181 -6.976 1.00 0.00 H new ATOM 0 HA LYS A 94 9.021 11.967 -6.582 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.814 10.113 -8.207 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.499 10.493 -7.113 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.882 12.908 -8.046 1.00 0.00 H new ATOM 0 HG3 LYS A 94 7.264 11.948 -9.376 1.00 0.00 H new ATOM 0 HD2 LYS A 94 5.084 11.838 -7.810 1.00 0.00 H new ATOM 0 HD3 LYS A 94 5.765 13.317 -7.161 1.00 0.00 H new ATOM 0 HE2 LYS A 94 4.262 13.918 -8.953 1.00 0.00 H new ATOM 0 HE3 LYS A 94 5.898 14.242 -9.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 4.248 12.973 -11.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 5.874 12.487 -10.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 4.694 11.620 -10.092 1.00 0.00 H new ATOM 1480 N GLY A 95 7.626 10.175 -4.282 1.00 0.00 N ATOM 1481 CA GLY A 95 6.947 10.235 -3.002 1.00 0.00 C ATOM 1482 C GLY A 95 6.811 8.872 -2.349 1.00 0.00 C ATOM 1483 O GLY A 95 6.784 8.766 -1.124 1.00 0.00 O ATOM 0 H GLY A 95 8.028 9.266 -4.512 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.495 10.900 -2.335 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.956 10.668 -3.140 1.00 0.00 H new ATOM 1487 N ALA A 96 6.718 7.827 -3.169 1.00 0.00 N ATOM 1488 CA ALA A 96 6.577 6.469 -2.657 1.00 0.00 C ATOM 1489 C ALA A 96 7.793 6.058 -1.831 1.00 0.00 C ATOM 1490 O ALA A 96 8.759 6.809 -1.711 1.00 0.00 O ATOM 1491 CB ALA A 96 6.357 5.488 -3.800 1.00 0.00 C ATOM 0 H ALA A 96 6.738 7.896 -4.186 1.00 0.00 H new ATOM 0 HA ALA A 96 5.705 6.448 -2.004 1.00 0.00 H new ATOM 0 HB1 ALA A 96 6.254 4.480 -3.399 1.00 0.00 H new ATOM 0 HB2 ALA A 96 5.450 5.758 -4.342 1.00 0.00 H new ATOM 0 HB3 ALA A 96 7.209 5.523 -4.479 1.00 0.00 H new ATOM 1497 N TYR A 97 7.730 4.859 -1.258 1.00 0.00 N ATOM 1498 CA TYR A 97 8.818 4.342 -0.435 1.00 0.00 C ATOM 1499 C TYR A 97 9.617 3.278 -1.180 1.00 0.00 C ATOM 1500 O TYR A 97 10.211 2.392 -0.567 1.00 0.00 O ATOM 1501 CB TYR A 97 8.255 3.751 0.853 1.00 0.00 C ATOM 1502 CG TYR A 97 9.305 3.444 1.896 1.00 0.00 C ATOM 1503 CD1 TYR A 97 9.947 4.466 2.585 1.00 0.00 C ATOM 1504 CD2 TYR A 97 9.653 2.133 2.194 1.00 0.00 C ATOM 1505 CE1 TYR A 97 10.907 4.189 3.540 1.00 0.00 C ATOM 1506 CE2 TYR A 97 10.611 1.848 3.147 1.00 0.00 C ATOM 1507 CZ TYR A 97 11.234 2.879 3.817 1.00 0.00 C ATOM 1508 OH TYR A 97 12.190 2.599 4.768 1.00 0.00 O ATOM 0 H TYR A 97 6.935 4.227 -1.349 1.00 0.00 H new ATOM 0 HA TYR A 97 9.487 5.170 -0.200 1.00 0.00 H new ATOM 0 HB2 TYR A 97 7.531 4.448 1.275 1.00 0.00 H new ATOM 0 HB3 TYR A 97 7.715 2.835 0.615 1.00 0.00 H new ATOM 0 HD1 TYR A 97 9.692 5.493 2.371 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.166 1.323 1.672 1.00 0.00 H new ATOM 0 HE1 TYR A 97 11.398 4.994 4.066 1.00 0.00 H new ATOM 0 HE2 TYR A 97 10.871 0.823 3.366 1.00 0.00 H new ATOM 0 HH TYR A 97 12.302 1.628 4.844 1.00 0.00 H new ATOM 1518 N GLU A 98 9.624 3.377 -2.503 1.00 0.00 N ATOM 1519 CA GLU A 98 10.346 2.428 -3.351 1.00 0.00 C ATOM 1520 C GLU A 98 9.548 1.137 -3.524 1.00 0.00 C ATOM 1521 O GLU A 98 8.891 0.671 -2.593 1.00 0.00 O ATOM 1522 CB GLU A 98 11.745 2.137 -2.776 1.00 0.00 C ATOM 1523 CG GLU A 98 11.909 0.745 -2.178 1.00 0.00 C ATOM 1524 CD GLU A 98 13.235 0.570 -1.465 1.00 0.00 C ATOM 1525 OE1 GLU A 98 14.284 0.844 -2.085 1.00 0.00 O ATOM 1526 OE2 GLU A 98 13.225 0.157 -0.286 1.00 0.00 O ATOM 0 H GLU A 98 9.135 4.109 -3.018 1.00 0.00 H new ATOM 0 HA GLU A 98 10.472 2.880 -4.335 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.483 2.267 -3.568 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.968 2.877 -2.007 1.00 0.00 H new ATOM 0 HG2 GLU A 98 11.096 0.557 -1.477 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.826 0.001 -2.970 1.00 0.00 H new ATOM 1533 N PHE A 99 9.610 0.567 -4.724 1.00 0.00 N ATOM 1534 CA PHE A 99 8.894 -0.667 -5.022 1.00 0.00 C ATOM 1535 C PHE A 99 9.419 -1.818 -4.170 1.00 0.00 C ATOM 1536 O PHE A 99 10.597 -1.849 -3.811 1.00 0.00 O ATOM 1537 CB PHE A 99 9.032 -1.012 -6.508 1.00 0.00 C ATOM 1538 CG PHE A 99 7.855 -0.594 -7.349 1.00 0.00 C ATOM 1539 CD1 PHE A 99 7.096 0.516 -7.011 1.00 0.00 C ATOM 1540 CD2 PHE A 99 7.512 -1.313 -8.483 1.00 0.00 C ATOM 1541 CE1 PHE A 99 6.017 0.898 -7.787 1.00 0.00 C ATOM 1542 CE2 PHE A 99 6.435 -0.936 -9.262 1.00 0.00 C ATOM 1543 CZ PHE A 99 5.687 0.172 -8.913 1.00 0.00 C ATOM 0 H PHE A 99 10.149 0.941 -5.505 1.00 0.00 H new ATOM 0 HA PHE A 99 7.841 -0.515 -4.786 1.00 0.00 H new ATOM 0 HB2 PHE A 99 9.931 -0.535 -6.898 1.00 0.00 H new ATOM 0 HB3 PHE A 99 9.172 -2.088 -6.608 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.350 1.089 -6.132 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.094 -2.179 -8.761 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.433 1.764 -7.512 1.00 0.00 H new ATOM 0 HE2 PHE A 99 6.178 -1.506 -10.142 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.845 0.469 -9.521 1.00 0.00 H new ATOM 1553 N LEU A 100 8.541 -2.762 -3.855 1.00 0.00 N ATOM 1554 CA LEU A 100 8.915 -3.913 -3.051 1.00 0.00 C ATOM 1555 C LEU A 100 9.590 -4.973 -3.916 1.00 0.00 C ATOM 1556 O LEU A 100 8.927 -5.716 -4.638 1.00 0.00 O ATOM 1557 CB LEU A 100 7.675 -4.493 -2.366 1.00 0.00 C ATOM 1558 CG LEU A 100 7.958 -5.400 -1.171 1.00 0.00 C ATOM 1559 CD1 LEU A 100 8.798 -6.590 -1.598 1.00 0.00 C ATOM 1560 CD2 LEU A 100 8.651 -4.621 -0.063 1.00 0.00 C ATOM 0 H LEU A 100 7.563 -2.751 -4.146 1.00 0.00 H new ATOM 0 HA LEU A 100 9.624 -3.594 -2.287 1.00 0.00 H new ATOM 0 HB2 LEU A 100 7.043 -3.669 -2.035 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.103 -5.057 -3.103 1.00 0.00 H new ATOM 0 HG LEU A 100 7.009 -5.771 -0.784 1.00 0.00 H new ATOM 0 HD11 LEU A 100 8.991 -7.227 -0.735 1.00 0.00 H new ATOM 0 HD12 LEU A 100 8.262 -7.160 -2.357 1.00 0.00 H new ATOM 0 HD13 LEU A 100 9.744 -6.239 -2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 100 8.845 -5.283 0.781 1.00 0.00 H new ATOM 0 HD22 LEU A 100 9.594 -4.221 -0.435 1.00 0.00 H new ATOM 0 HD23 LEU A 100 8.011 -3.800 0.260 1.00 0.00 H new ATOM 1572 N GLU A 101 10.916 -5.033 -3.838 1.00 0.00 N ATOM 1573 CA GLU A 101 11.689 -5.998 -4.616 1.00 0.00 C ATOM 1574 C GLU A 101 11.178 -7.418 -4.398 1.00 0.00 C ATOM 1575 O GLU A 101 10.589 -7.726 -3.361 1.00 0.00 O ATOM 1576 CB GLU A 101 13.170 -5.914 -4.242 1.00 0.00 C ATOM 1577 CG GLU A 101 13.786 -4.548 -4.500 1.00 0.00 C ATOM 1578 CD GLU A 101 14.364 -4.425 -5.896 1.00 0.00 C ATOM 1579 OE1 GLU A 101 14.635 -5.471 -6.521 1.00 0.00 O ATOM 1580 OE2 GLU A 101 14.545 -3.282 -6.364 1.00 0.00 O ATOM 0 H GLU A 101 11.479 -4.425 -3.244 1.00 0.00 H new ATOM 0 HA GLU A 101 11.570 -5.751 -5.671 1.00 0.00 H new ATOM 0 HB2 GLU A 101 13.284 -6.161 -3.187 1.00 0.00 H new ATOM 0 HB3 GLU A 101 13.722 -6.665 -4.807 1.00 0.00 H new ATOM 0 HG2 GLU A 101 13.028 -3.778 -4.355 1.00 0.00 H new ATOM 0 HG3 GLU A 101 14.572 -4.363 -3.768 1.00 0.00 H new ATOM 1587 N LYS A 102 11.410 -8.281 -5.382 1.00 0.00 N ATOM 1588 CA LYS A 102 10.974 -9.670 -5.302 1.00 0.00 C ATOM 1589 C LYS A 102 9.454 -9.759 -5.185 1.00 0.00 C ATOM 1590 O LYS A 102 8.920 -10.079 -4.122 1.00 0.00 O ATOM 1591 CB LYS A 102 11.636 -10.366 -4.110 1.00 0.00 C ATOM 1592 CG LYS A 102 12.035 -11.805 -4.391 1.00 0.00 C ATOM 1593 CD LYS A 102 13.337 -11.880 -5.171 1.00 0.00 C ATOM 1594 CE LYS A 102 14.521 -12.145 -4.255 1.00 0.00 C ATOM 1595 NZ LYS A 102 14.734 -13.602 -4.033 1.00 0.00 N ATOM 0 H LYS A 102 11.898 -8.042 -6.245 1.00 0.00 H new ATOM 0 HA LYS A 102 11.277 -10.174 -6.220 1.00 0.00 H new ATOM 0 HB2 LYS A 102 12.522 -9.803 -3.817 1.00 0.00 H new ATOM 0 HB3 LYS A 102 10.951 -10.346 -3.262 1.00 0.00 H new ATOM 0 HG2 LYS A 102 12.142 -12.344 -3.450 1.00 0.00 H new ATOM 0 HG3 LYS A 102 11.243 -12.300 -4.954 1.00 0.00 H new ATOM 0 HD2 LYS A 102 13.270 -12.671 -5.918 1.00 0.00 H new ATOM 0 HD3 LYS A 102 13.494 -10.945 -5.709 1.00 0.00 H new ATOM 0 HE2 LYS A 102 15.421 -11.708 -4.688 1.00 0.00 H new ATOM 0 HE3 LYS A 102 14.357 -11.652 -3.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 15.550 -13.742 -3.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 13.885 -14.014 -3.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 14.916 -14.069 -4.944 1.00 0.00 H new ATOM 1609 N PRO A 103 8.733 -9.475 -6.283 1.00 0.00 N ATOM 1610 CA PRO A 103 7.267 -9.525 -6.300 1.00 0.00 C ATOM 1611 C PRO A 103 6.736 -10.955 -6.268 1.00 0.00 C ATOM 1612 O PRO A 103 6.057 -11.398 -7.195 1.00 0.00 O ATOM 1613 CB PRO A 103 6.908 -8.849 -7.624 1.00 0.00 C ATOM 1614 CG PRO A 103 8.087 -9.088 -8.501 1.00 0.00 C ATOM 1615 CD PRO A 103 9.288 -9.084 -7.593 1.00 0.00 C ATOM 0 HA PRO A 103 6.830 -9.041 -5.426 1.00 0.00 H new ATOM 0 HB2 PRO A 103 6.002 -9.276 -8.054 1.00 0.00 H new ATOM 0 HB3 PRO A 103 6.725 -7.783 -7.488 1.00 0.00 H new ATOM 0 HG2 PRO A 103 7.997 -10.040 -9.025 1.00 0.00 H new ATOM 0 HG3 PRO A 103 8.171 -8.312 -9.262 1.00 0.00 H new ATOM 0 HD2 PRO A 103 10.049 -9.787 -7.932 1.00 0.00 H new ATOM 0 HD3 PRO A 103 9.757 -8.101 -7.553 1.00 0.00 H new ATOM 1623 N PHE A 104 7.052 -11.672 -5.194 1.00 0.00 N ATOM 1624 CA PHE A 104 6.608 -13.051 -5.039 1.00 0.00 C ATOM 1625 C PHE A 104 6.369 -13.382 -3.570 1.00 0.00 C ATOM 1626 O PHE A 104 5.343 -13.960 -3.212 1.00 0.00 O ATOM 1627 CB PHE A 104 7.642 -14.013 -5.628 1.00 0.00 C ATOM 1628 CG PHE A 104 8.104 -13.629 -7.005 1.00 0.00 C ATOM 1629 CD1 PHE A 104 7.245 -13.719 -8.088 1.00 0.00 C ATOM 1630 CD2 PHE A 104 9.398 -13.178 -7.216 1.00 0.00 C ATOM 1631 CE1 PHE A 104 7.665 -13.367 -9.356 1.00 0.00 C ATOM 1632 CE2 PHE A 104 9.824 -12.824 -8.482 1.00 0.00 C ATOM 1633 CZ PHE A 104 8.957 -12.918 -9.554 1.00 0.00 C ATOM 0 H PHE A 104 7.614 -11.320 -4.419 1.00 0.00 H new ATOM 0 HA PHE A 104 5.668 -13.166 -5.578 1.00 0.00 H new ATOM 0 HB2 PHE A 104 8.505 -14.057 -4.963 1.00 0.00 H new ATOM 0 HB3 PHE A 104 7.215 -15.015 -5.663 1.00 0.00 H new ATOM 0 HD1 PHE A 104 6.234 -14.069 -7.939 1.00 0.00 H new ATOM 0 HD2 PHE A 104 10.080 -13.103 -6.382 1.00 0.00 H new ATOM 0 HE1 PHE A 104 6.985 -13.443 -10.191 1.00 0.00 H new ATOM 0 HE2 PHE A 104 10.834 -12.474 -8.634 1.00 0.00 H new ATOM 0 HZ PHE A 104 9.288 -12.641 -10.544 1.00 0.00 H new ATOM 1643 N SER A 105 7.324 -13.011 -2.722 1.00 0.00 N ATOM 1644 CA SER A 105 7.216 -13.267 -1.291 1.00 0.00 C ATOM 1645 C SER A 105 6.687 -12.041 -0.555 1.00 0.00 C ATOM 1646 O SER A 105 7.109 -10.915 -0.819 1.00 0.00 O ATOM 1647 CB SER A 105 8.578 -13.671 -0.721 1.00 0.00 C ATOM 1648 OG SER A 105 9.619 -12.901 -1.294 1.00 0.00 O ATOM 0 H SER A 105 8.180 -12.533 -3.002 1.00 0.00 H new ATOM 0 HA SER A 105 6.511 -14.085 -1.146 1.00 0.00 H new ATOM 0 HB2 SER A 105 8.577 -13.539 0.361 1.00 0.00 H new ATOM 0 HB3 SER A 105 8.756 -14.729 -0.912 1.00 0.00 H new ATOM 0 HG SER A 105 10.478 -13.177 -0.912 1.00 0.00 H new ATOM 1654 N VAL A 106 5.760 -12.268 0.369 1.00 0.00 N ATOM 1655 CA VAL A 106 5.170 -11.184 1.144 1.00 0.00 C ATOM 1656 C VAL A 106 5.804 -11.087 2.533 1.00 0.00 C ATOM 1657 O VAL A 106 5.670 -10.069 3.216 1.00 0.00 O ATOM 1658 CB VAL A 106 3.646 -11.367 1.288 1.00 0.00 C ATOM 1659 CG1 VAL A 106 3.330 -12.681 1.983 1.00 0.00 C ATOM 1660 CG2 VAL A 106 3.030 -10.192 2.036 1.00 0.00 C ATOM 0 H VAL A 106 5.401 -13.194 0.599 1.00 0.00 H new ATOM 0 HA VAL A 106 5.366 -10.259 0.601 1.00 0.00 H new ATOM 0 HB VAL A 106 3.207 -11.397 0.291 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.250 -12.793 2.076 1.00 0.00 H new ATOM 0 HG12 VAL A 106 3.732 -13.508 1.397 1.00 0.00 H new ATOM 0 HG13 VAL A 106 3.782 -12.686 2.975 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.954 -10.342 2.126 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.471 -10.122 3.030 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.223 -9.270 1.488 1.00 0.00 H new ATOM 1670 N GLU A 107 6.511 -12.137 2.942 1.00 0.00 N ATOM 1671 CA GLU A 107 7.173 -12.139 4.238 1.00 0.00 C ATOM 1672 C GLU A 107 8.236 -11.050 4.276 1.00 0.00 C ATOM 1673 O GLU A 107 8.424 -10.383 5.293 1.00 0.00 O ATOM 1674 CB GLU A 107 7.803 -13.501 4.512 1.00 0.00 C ATOM 1675 CG GLU A 107 7.910 -13.834 5.990 1.00 0.00 C ATOM 1676 CD GLU A 107 9.224 -14.502 6.343 1.00 0.00 C ATOM 1677 OE1 GLU A 107 10.214 -13.779 6.579 1.00 0.00 O ATOM 1678 OE2 GLU A 107 9.263 -15.750 6.383 1.00 0.00 O ATOM 0 H GLU A 107 6.638 -12.990 2.398 1.00 0.00 H new ATOM 0 HA GLU A 107 6.432 -11.940 5.012 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.213 -14.272 4.016 1.00 0.00 H new ATOM 0 HB3 GLU A 107 8.799 -13.527 4.069 1.00 0.00 H new ATOM 0 HG2 GLU A 107 7.803 -12.919 6.573 1.00 0.00 H new ATOM 0 HG3 GLU A 107 7.086 -14.490 6.272 1.00 0.00 H new ATOM 1685 N ARG A 108 8.914 -10.865 3.146 1.00 0.00 N ATOM 1686 CA ARG A 108 9.945 -9.843 3.033 1.00 0.00 C ATOM 1687 C ARG A 108 9.314 -8.463 3.153 1.00 0.00 C ATOM 1688 O ARG A 108 9.890 -7.550 3.744 1.00 0.00 O ATOM 1689 CB ARG A 108 10.685 -9.974 1.699 1.00 0.00 C ATOM 1690 CG ARG A 108 12.170 -10.259 1.853 1.00 0.00 C ATOM 1691 CD ARG A 108 12.562 -11.569 1.186 1.00 0.00 C ATOM 1692 NE ARG A 108 13.926 -11.530 0.663 1.00 0.00 N ATOM 1693 CZ ARG A 108 14.611 -12.612 0.301 1.00 0.00 C ATOM 1694 NH1 ARG A 108 14.065 -13.818 0.403 1.00 0.00 N ATOM 1695 NH2 ARG A 108 15.846 -12.487 -0.166 1.00 0.00 N ATOM 0 H ARG A 108 8.766 -11.411 2.297 1.00 0.00 H new ATOM 0 HA ARG A 108 10.666 -9.977 3.839 1.00 0.00 H new ATOM 0 HB2 ARG A 108 10.228 -10.774 1.117 1.00 0.00 H new ATOM 0 HB3 ARG A 108 10.557 -9.053 1.130 1.00 0.00 H new ATOM 0 HG2 ARG A 108 12.745 -9.442 1.417 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.425 -10.299 2.912 1.00 0.00 H new ATOM 0 HD2 ARG A 108 12.473 -12.383 1.905 1.00 0.00 H new ATOM 0 HD3 ARG A 108 11.868 -11.784 0.373 1.00 0.00 H new ATOM 0 HE ARG A 108 14.379 -10.621 0.570 1.00 0.00 H new ATOM 0 HH11 ARG A 108 13.115 -13.919 0.761 1.00 0.00 H new ATOM 0 HH12 ARG A 108 14.595 -14.643 0.124 1.00 0.00 H new ATOM 0 HH21 ARG A 108 16.269 -11.563 -0.247 1.00 0.00 H new ATOM 0 HH22 ARG A 108 16.372 -13.315 -0.444 1.00 0.00 H new ATOM 1709 N PHE A 109 8.111 -8.329 2.602 1.00 0.00 N ATOM 1710 CA PHE A 109 7.377 -7.073 2.656 1.00 0.00 C ATOM 1711 C PHE A 109 7.141 -6.679 4.111 1.00 0.00 C ATOM 1712 O PHE A 109 7.199 -5.503 4.469 1.00 0.00 O ATOM 1713 CB PHE A 109 6.043 -7.209 1.906 1.00 0.00 C ATOM 1714 CG PHE A 109 4.996 -6.212 2.321 1.00 0.00 C ATOM 1715 CD1 PHE A 109 5.177 -4.857 2.092 1.00 0.00 C ATOM 1716 CD2 PHE A 109 3.831 -6.633 2.943 1.00 0.00 C ATOM 1717 CE1 PHE A 109 4.216 -3.942 2.474 1.00 0.00 C ATOM 1718 CE2 PHE A 109 2.866 -5.722 3.328 1.00 0.00 C ATOM 1719 CZ PHE A 109 3.059 -4.375 3.093 1.00 0.00 C ATOM 0 H PHE A 109 7.624 -9.079 2.112 1.00 0.00 H new ATOM 0 HA PHE A 109 7.962 -6.291 2.173 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.228 -7.101 0.837 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.653 -8.215 2.062 1.00 0.00 H new ATOM 0 HD1 PHE A 109 6.080 -4.513 1.609 1.00 0.00 H new ATOM 0 HD2 PHE A 109 3.676 -7.685 3.129 1.00 0.00 H new ATOM 0 HE1 PHE A 109 4.369 -2.889 2.289 1.00 0.00 H new ATOM 0 HE2 PHE A 109 1.963 -6.063 3.812 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.306 -3.661 3.393 1.00 0.00 H new ATOM 1729 N LEU A 110 6.888 -7.683 4.945 1.00 0.00 N ATOM 1730 CA LEU A 110 6.655 -7.461 6.367 1.00 0.00 C ATOM 1731 C LEU A 110 7.827 -6.725 7.008 1.00 0.00 C ATOM 1732 O LEU A 110 7.637 -5.812 7.812 1.00 0.00 O ATOM 1733 CB LEU A 110 6.430 -8.790 7.072 1.00 0.00 C ATOM 1734 CG LEU A 110 5.233 -8.814 8.017 1.00 0.00 C ATOM 1735 CD1 LEU A 110 5.107 -10.177 8.666 1.00 0.00 C ATOM 1736 CD2 LEU A 110 5.365 -7.726 9.073 1.00 0.00 C ATOM 0 H LEU A 110 6.839 -8.661 4.659 1.00 0.00 H new ATOM 0 HA LEU A 110 5.765 -6.841 6.472 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.298 -9.567 6.320 1.00 0.00 H new ATOM 0 HB3 LEU A 110 7.327 -9.043 7.637 1.00 0.00 H new ATOM 0 HG LEU A 110 4.329 -8.620 7.440 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.249 -10.182 9.338 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.969 -10.935 7.896 1.00 0.00 H new ATOM 0 HD13 LEU A 110 6.013 -10.396 9.232 1.00 0.00 H new ATOM 0 HD21 LEU A 110 4.502 -7.758 9.738 1.00 0.00 H new ATOM 0 HD22 LEU A 110 6.275 -7.888 9.651 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.413 -6.751 8.587 1.00 0.00 H new ATOM 1748 N LEU A 111 9.040 -7.136 6.650 1.00 0.00 N ATOM 1749 CA LEU A 111 10.251 -6.525 7.190 1.00 0.00 C ATOM 1750 C LEU A 111 10.264 -5.017 6.960 1.00 0.00 C ATOM 1751 O LEU A 111 10.555 -4.245 7.874 1.00 0.00 O ATOM 1752 CB LEU A 111 11.490 -7.156 6.562 1.00 0.00 C ATOM 1753 CG LEU A 111 11.880 -8.524 7.128 1.00 0.00 C ATOM 1754 CD1 LEU A 111 11.515 -9.632 6.152 1.00 0.00 C ATOM 1755 CD2 LEU A 111 13.368 -8.566 7.449 1.00 0.00 C ATOM 0 H LEU A 111 9.211 -7.892 5.986 1.00 0.00 H new ATOM 0 HA LEU A 111 10.261 -6.705 8.265 1.00 0.00 H new ATOM 0 HB2 LEU A 111 11.323 -7.258 5.490 1.00 0.00 H new ATOM 0 HB3 LEU A 111 12.331 -6.474 6.690 1.00 0.00 H new ATOM 0 HG LEU A 111 11.323 -8.683 8.052 1.00 0.00 H new ATOM 0 HD11 LEU A 111 11.800 -10.596 6.573 1.00 0.00 H new ATOM 0 HD12 LEU A 111 10.440 -9.619 5.972 1.00 0.00 H new ATOM 0 HD13 LEU A 111 12.043 -9.476 5.211 1.00 0.00 H new ATOM 0 HD21 LEU A 111 13.626 -9.546 7.850 1.00 0.00 H new ATOM 0 HD22 LEU A 111 13.942 -8.383 6.540 1.00 0.00 H new ATOM 0 HD23 LEU A 111 13.603 -7.799 8.187 1.00 0.00 H new ATOM 1767 N THR A 112 9.951 -4.602 5.737 1.00 0.00 N ATOM 1768 CA THR A 112 9.930 -3.184 5.396 1.00 0.00 C ATOM 1769 C THR A 112 8.820 -2.461 6.152 1.00 0.00 C ATOM 1770 O THR A 112 9.011 -1.349 6.643 1.00 0.00 O ATOM 1771 CB THR A 112 9.738 -3.006 3.888 1.00 0.00 C ATOM 1772 OG1 THR A 112 10.771 -3.659 3.172 1.00 0.00 O ATOM 1773 CG2 THR A 112 9.723 -1.556 3.452 1.00 0.00 C ATOM 0 H THR A 112 9.709 -5.226 4.967 1.00 0.00 H new ATOM 0 HA THR A 112 10.886 -2.749 5.688 1.00 0.00 H new ATOM 0 HB THR A 112 8.765 -3.444 3.667 1.00 0.00 H new ATOM 0 HG1 THR A 112 10.631 -3.536 2.210 1.00 0.00 H new ATOM 0 HG21 THR A 112 9.583 -1.502 2.372 1.00 0.00 H new ATOM 0 HG22 THR A 112 8.905 -1.035 3.950 1.00 0.00 H new ATOM 0 HG23 THR A 112 10.669 -1.086 3.719 1.00 0.00 H new ATOM 1781 N ILE A 113 7.657 -3.103 6.237 1.00 0.00 N ATOM 1782 CA ILE A 113 6.505 -2.529 6.928 1.00 0.00 C ATOM 1783 C ILE A 113 6.902 -1.927 8.274 1.00 0.00 C ATOM 1784 O ILE A 113 6.628 -0.758 8.543 1.00 0.00 O ATOM 1785 CB ILE A 113 5.400 -3.592 7.138 1.00 0.00 C ATOM 1786 CG1 ILE A 113 4.463 -3.627 5.928 1.00 0.00 C ATOM 1787 CG2 ILE A 113 4.610 -3.326 8.415 1.00 0.00 C ATOM 1788 CD1 ILE A 113 3.757 -2.314 5.671 1.00 0.00 C ATOM 0 H ILE A 113 7.487 -4.025 5.834 1.00 0.00 H new ATOM 0 HA ILE A 113 6.116 -1.732 6.295 1.00 0.00 H new ATOM 0 HB ILE A 113 5.882 -4.564 7.241 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.037 -3.901 5.043 1.00 0.00 H new ATOM 0 HG13 ILE A 113 3.717 -4.408 6.079 1.00 0.00 H new ATOM 0 HG21 ILE A 113 3.842 -4.090 8.533 1.00 0.00 H new ATOM 0 HG22 ILE A 113 5.283 -3.353 9.272 1.00 0.00 H new ATOM 0 HG23 ILE A 113 4.139 -2.345 8.354 1.00 0.00 H new ATOM 0 HD11 ILE A 113 3.110 -2.413 4.799 1.00 0.00 H new ATOM 0 HD12 ILE A 113 3.156 -2.048 6.540 1.00 0.00 H new ATOM 0 HD13 ILE A 113 4.496 -1.534 5.488 1.00 0.00 H new ATOM 1800 N LYS A 114 7.549 -2.728 9.114 1.00 0.00 N ATOM 1801 CA LYS A 114 7.981 -2.265 10.426 1.00 0.00 C ATOM 1802 C LYS A 114 8.700 -0.931 10.297 1.00 0.00 C ATOM 1803 O LYS A 114 8.299 0.067 10.896 1.00 0.00 O ATOM 1804 CB LYS A 114 8.900 -3.298 11.081 1.00 0.00 C ATOM 1805 CG LYS A 114 9.416 -2.876 12.447 1.00 0.00 C ATOM 1806 CD LYS A 114 10.785 -2.219 12.349 1.00 0.00 C ATOM 1807 CE LYS A 114 10.821 -0.892 13.092 1.00 0.00 C ATOM 1808 NZ LYS A 114 12.184 -0.580 13.604 1.00 0.00 N ATOM 0 H LYS A 114 7.785 -3.699 8.909 1.00 0.00 H new ATOM 0 HA LYS A 114 7.102 -2.134 11.057 1.00 0.00 H new ATOM 0 HB2 LYS A 114 8.361 -4.240 11.181 1.00 0.00 H new ATOM 0 HB3 LYS A 114 9.749 -3.485 10.423 1.00 0.00 H new ATOM 0 HG2 LYS A 114 8.711 -2.182 12.905 1.00 0.00 H new ATOM 0 HG3 LYS A 114 9.476 -3.747 13.099 1.00 0.00 H new ATOM 0 HD2 LYS A 114 11.541 -2.888 12.760 1.00 0.00 H new ATOM 0 HD3 LYS A 114 11.038 -2.057 11.301 1.00 0.00 H new ATOM 0 HE2 LYS A 114 10.492 -0.094 12.426 1.00 0.00 H new ATOM 0 HE3 LYS A 114 10.118 -0.923 13.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 12.167 0.332 14.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 12.489 -1.328 14.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 12.850 -0.525 12.807 1.00 0.00 H new ATOM 1822 N HIS A 115 9.766 -0.925 9.508 1.00 0.00 N ATOM 1823 CA HIS A 115 10.547 0.285 9.290 1.00 0.00 C ATOM 1824 C HIS A 115 9.694 1.379 8.656 1.00 0.00 C ATOM 1825 O HIS A 115 9.926 2.567 8.882 1.00 0.00 O ATOM 1826 CB HIS A 115 11.753 -0.017 8.400 1.00 0.00 C ATOM 1827 CG HIS A 115 12.656 1.159 8.195 1.00 0.00 C ATOM 1828 ND1 HIS A 115 12.697 2.363 8.815 1.00 0.00 N flip ATOM 1829 CD2 HIS A 115 13.667 1.178 7.257 1.00 0.00 C flip ATOM 1830 CE1 HIS A 115 13.722 3.078 8.244 1.00 0.00 C flip ATOM 1831 NE2 HIS A 115 14.292 2.341 7.309 1.00 0.00 N flip ATOM 0 H HIS A 115 10.110 -1.745 9.008 1.00 0.00 H new ATOM 0 HA HIS A 115 10.897 0.640 10.259 1.00 0.00 H new ATOM 0 HB2 HIS A 115 12.326 -0.832 8.843 1.00 0.00 H new ATOM 0 HB3 HIS A 115 11.400 -0.367 7.430 1.00 0.00 H new ATOM 0 HD2 HIS A 115 13.910 0.368 6.585 1.00 0.00 H new ATOM 0 HE1 HIS A 115 14.014 4.081 8.516 1.00 0.00 H new ATOM 0 HE2 HIS A 115 15.081 2.621 6.726 1.00 0.00 H new ATOM 1840 N ALA A 116 8.704 0.975 7.862 1.00 0.00 N ATOM 1841 CA ALA A 116 7.822 1.930 7.204 1.00 0.00 C ATOM 1842 C ALA A 116 7.081 2.781 8.230 1.00 0.00 C ATOM 1843 O ALA A 116 6.895 3.982 8.039 1.00 0.00 O ATOM 1844 CB ALA A 116 6.836 1.205 6.299 1.00 0.00 C ATOM 0 H ALA A 116 8.495 -0.003 7.661 1.00 0.00 H new ATOM 0 HA ALA A 116 8.433 2.593 6.592 1.00 0.00 H new ATOM 0 HB1 ALA A 116 6.184 1.932 5.815 1.00 0.00 H new ATOM 0 HB2 ALA A 116 7.383 0.645 5.540 1.00 0.00 H new ATOM 0 HB3 ALA A 116 6.234 0.518 6.893 1.00 0.00 H new ATOM 1850 N PHE A 117 6.663 2.147 9.321 1.00 0.00 N ATOM 1851 CA PHE A 117 5.944 2.841 10.383 1.00 0.00 C ATOM 1852 C PHE A 117 6.859 3.805 11.136 1.00 0.00 C ATOM 1853 O PHE A 117 6.387 4.671 11.872 1.00 0.00 O ATOM 1854 CB PHE A 117 5.339 1.829 11.356 1.00 0.00 C ATOM 1855 CG PHE A 117 4.010 1.293 10.910 1.00 0.00 C ATOM 1856 CD1 PHE A 117 3.936 0.193 10.070 1.00 0.00 C ATOM 1857 CD2 PHE A 117 2.834 1.889 11.330 1.00 0.00 C ATOM 1858 CE1 PHE A 117 2.715 -0.299 9.658 1.00 0.00 C ATOM 1859 CE2 PHE A 117 1.609 1.401 10.923 1.00 0.00 C ATOM 1860 CZ PHE A 117 1.550 0.305 10.085 1.00 0.00 C ATOM 0 H PHE A 117 6.810 1.152 9.493 1.00 0.00 H new ATOM 0 HA PHE A 117 5.145 3.423 9.923 1.00 0.00 H new ATOM 0 HB2 PHE A 117 6.033 0.998 11.483 1.00 0.00 H new ATOM 0 HB3 PHE A 117 5.223 2.299 12.332 1.00 0.00 H new ATOM 0 HD1 PHE A 117 4.845 -0.284 9.734 1.00 0.00 H new ATOM 0 HD2 PHE A 117 2.875 2.747 11.985 1.00 0.00 H new ATOM 0 HE1 PHE A 117 2.671 -1.156 9.002 1.00 0.00 H new ATOM 0 HE2 PHE A 117 0.699 1.875 11.259 1.00 0.00 H new ATOM 0 HZ PHE A 117 0.593 -0.079 9.764 1.00 0.00 H new ATOM 1870 N GLU A 118 8.169 3.652 10.950 1.00 0.00 N ATOM 1871 CA GLU A 118 9.143 4.511 11.614 1.00 0.00 C ATOM 1872 C GLU A 118 8.829 5.988 11.389 1.00 0.00 C ATOM 1873 O GLU A 118 9.204 6.841 12.193 1.00 0.00 O ATOM 1874 CB GLU A 118 10.549 4.196 11.111 1.00 0.00 C ATOM 1875 CG GLU A 118 11.647 4.618 12.073 1.00 0.00 C ATOM 1876 CD GLU A 118 12.409 5.838 11.590 1.00 0.00 C ATOM 1877 OE1 GLU A 118 11.759 6.855 11.268 1.00 0.00 O ATOM 1878 OE2 GLU A 118 13.654 5.776 11.535 1.00 0.00 O ATOM 0 H GLU A 118 8.579 2.941 10.345 1.00 0.00 H new ATOM 0 HA GLU A 118 9.088 4.313 12.685 1.00 0.00 H new ATOM 0 HB2 GLU A 118 10.629 3.124 10.929 1.00 0.00 H new ATOM 0 HB3 GLU A 118 10.704 4.695 10.154 1.00 0.00 H new ATOM 0 HG2 GLU A 118 11.209 4.831 13.048 1.00 0.00 H new ATOM 0 HG3 GLU A 118 12.343 3.790 12.210 1.00 0.00 H new ATOM 1885 N GLU A 119 8.138 6.284 10.292 1.00 0.00 N ATOM 1886 CA GLU A 119 7.776 7.660 9.967 1.00 0.00 C ATOM 1887 C GLU A 119 6.374 7.989 10.471 1.00 0.00 C ATOM 1888 O GLU A 119 5.597 8.656 9.787 1.00 0.00 O ATOM 1889 CB GLU A 119 7.853 7.883 8.455 1.00 0.00 C ATOM 1890 CG GLU A 119 9.110 7.310 7.818 1.00 0.00 C ATOM 1891 CD GLU A 119 8.832 6.064 7.000 1.00 0.00 C ATOM 1892 OE1 GLU A 119 8.127 6.171 5.975 1.00 0.00 O ATOM 1893 OE2 GLU A 119 9.322 4.981 7.383 1.00 0.00 O ATOM 0 H GLU A 119 7.818 5.592 9.615 1.00 0.00 H new ATOM 0 HA GLU A 119 8.484 8.324 10.463 1.00 0.00 H new ATOM 0 HB2 GLU A 119 6.979 7.432 7.985 1.00 0.00 H new ATOM 0 HB3 GLU A 119 7.808 8.953 8.251 1.00 0.00 H new ATOM 0 HG2 GLU A 119 9.566 8.066 7.179 1.00 0.00 H new ATOM 0 HG3 GLU A 119 9.833 7.074 8.598 1.00 0.00 H new ATOM 1900 N TYR A 120 6.056 7.519 11.673 1.00 0.00 N ATOM 1901 CA TYR A 120 4.749 7.766 12.270 1.00 0.00 C ATOM 1902 C TYR A 120 4.756 7.424 13.755 1.00 0.00 C ATOM 1903 O TYR A 120 3.745 6.991 14.308 1.00 0.00 O ATOM 1904 CB TYR A 120 3.676 6.945 11.551 1.00 0.00 C ATOM 1905 CG TYR A 120 2.272 7.463 11.767 1.00 0.00 C ATOM 1906 CD1 TYR A 120 1.768 8.503 10.995 1.00 0.00 C ATOM 1907 CD2 TYR A 120 1.449 6.913 12.743 1.00 0.00 C ATOM 1908 CE1 TYR A 120 0.485 8.979 11.188 1.00 0.00 C ATOM 1909 CE2 TYR A 120 0.166 7.385 12.943 1.00 0.00 C ATOM 1910 CZ TYR A 120 -0.311 8.418 12.163 1.00 0.00 C ATOM 1911 OH TYR A 120 -1.588 8.889 12.359 1.00 0.00 O ATOM 0 H TYR A 120 6.686 6.965 12.253 1.00 0.00 H new ATOM 0 HA TYR A 120 4.521 8.826 12.161 1.00 0.00 H new ATOM 0 HB2 TYR A 120 3.891 6.938 10.482 1.00 0.00 H new ATOM 0 HB3 TYR A 120 3.730 5.912 11.894 1.00 0.00 H new ATOM 0 HD1 TYR A 120 2.390 8.947 10.231 1.00 0.00 H new ATOM 0 HD2 TYR A 120 1.819 6.103 13.355 1.00 0.00 H new ATOM 0 HE1 TYR A 120 0.108 9.787 10.578 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -0.460 6.947 13.706 1.00 0.00 H new ATOM 0 HH TYR A 120 -2.015 8.385 13.083 1.00 0.00 H new ATOM 1921 N SER A 121 5.901 7.623 14.399 1.00 0.00 N ATOM 1922 CA SER A 121 6.039 7.335 15.822 1.00 0.00 C ATOM 1923 C SER A 121 5.832 8.596 16.653 1.00 0.00 C ATOM 1924 O SER A 121 6.000 8.581 17.873 1.00 0.00 O ATOM 1925 CB SER A 121 7.418 6.740 16.112 1.00 0.00 C ATOM 1926 OG SER A 121 7.493 6.248 17.439 1.00 0.00 O ATOM 0 H SER A 121 6.747 7.983 13.958 1.00 0.00 H new ATOM 0 HA SER A 121 5.273 6.610 16.097 1.00 0.00 H new ATOM 0 HB2 SER A 121 7.624 5.933 15.409 1.00 0.00 H new ATOM 0 HB3 SER A 121 8.185 7.499 15.959 1.00 0.00 H new ATOM 0 HG SER A 121 7.007 6.851 18.039 1.00 0.00 H new TER 1932 SER A 121