USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 788 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -1.03 K(o=-1,f=-0.031) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.0092) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0174 USER MOD Single : A 10 HIS : no HD1:sc= -0.301 X(o=-0.3,f=-0.15) USER MOD Single : A 11 MET CE :methyl -167:sc= -0.0231 (180deg=-0.238) USER MOD Single : A 12 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00727) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.451 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.117 K(o=-0.12,f=-2.6!) USER MOD Single : A 26 ASN : amide:sc= -0.269 K(o=-0.27,f=-3.2!) USER MOD Single : A 27 TYR OH : rot 180:sc=-0.00204 USER MOD Single : A 29 SER OG : rot -84:sc= 0.571 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0.572 K(o=0.57,f=-6.1!) USER MOD Single : A 41 LYS NZ :NH3+ -122:sc= -1.37 (180deg=-3.53!) USER MOD Single : A 47 THR OG1 : rot -153:sc= 0.535 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.795 USER MOD Single : A 52 LYS NZ :NH3+ -167:sc= -0.0337 (180deg=-0.238) USER MOD Single : A 53 THR OG1 : rot -103:sc= 0.174 USER MOD Single : A 58 GLN : amide:sc= -0.574 K(o=-0.57,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.248 X(o=-0.25,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.164 USER MOD Single : A 73 ASN : amide:sc= -1.67! K(o=-1.7!,f=-0.0063) USER MOD Single : A 76 THR OG1 : rot 79:sc= 1.03 USER MOD Single : A 78 GLN : amide:sc= -1.71 K(o=-1.7,f=-7.3!) USER MOD Single : A 79 GLN : amide:sc= -0.604 X(o=-0.6,f=-0.27) USER MOD Single : A 87 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 93 TYR OH : rot -68:sc= 0.141 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.559 6.073 18.729 1.00 0.00 N ATOM 2 CA MET A 1 19.525 5.438 17.875 1.00 0.00 C ATOM 3 C MET A 1 18.385 4.890 18.737 1.00 0.00 C ATOM 4 O MET A 1 17.218 5.267 18.560 1.00 0.00 O ATOM 5 CB MET A 1 20.148 4.298 17.018 1.00 0.00 C ATOM 6 CG MET A 1 19.135 3.471 16.202 1.00 0.00 C ATOM 7 SD MET A 1 19.918 2.183 15.210 1.00 0.00 S ATOM 8 CE MET A 1 18.494 1.326 14.538 1.00 0.00 C ATOM 0 H1 MET A 1 21.326 6.440 18.130 1.00 0.00 H new ATOM 0 H2 MET A 1 20.133 6.856 19.265 1.00 0.00 H new ATOM 0 H3 MET A 1 20.943 5.369 19.391 1.00 0.00 H new ATOM 0 HA MET A 1 19.122 6.195 17.203 1.00 0.00 H new ATOM 0 HB2 MET A 1 20.875 4.734 16.333 1.00 0.00 H new ATOM 0 HB3 MET A 1 20.696 3.625 17.678 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.416 3.013 16.882 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.574 4.137 15.546 1.00 0.00 H new ATOM 0 HE1 MET A 1 18.829 0.505 13.904 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.889 0.931 15.354 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.897 2.020 13.946 1.00 0.00 H new ATOM 20 N GLY A 2 18.742 4.003 19.682 1.00 0.00 N ATOM 21 CA GLY A 2 17.752 3.272 20.462 1.00 0.00 C ATOM 22 C GLY A 2 17.062 2.208 19.624 1.00 0.00 C ATOM 23 O GLY A 2 15.934 2.410 19.161 1.00 0.00 O ATOM 0 H GLY A 2 19.709 3.781 19.917 1.00 0.00 H new ATOM 0 HA2 GLY A 2 18.235 2.805 21.320 1.00 0.00 H new ATOM 0 HA3 GLY A 2 17.009 3.967 20.854 1.00 0.00 H new ATOM 27 N HIS A 3 17.751 1.069 19.421 1.00 0.00 N ATOM 28 CA HIS A 3 17.219 -0.064 18.636 1.00 0.00 C ATOM 29 C HIS A 3 16.342 -0.992 19.502 1.00 0.00 C ATOM 30 O HIS A 3 16.102 -2.142 19.146 1.00 0.00 O ATOM 31 CB HIS A 3 18.374 -0.844 17.938 1.00 0.00 C ATOM 32 CG HIS A 3 19.393 -1.507 18.848 1.00 0.00 C ATOM 33 ND1 HIS A 3 20.676 -1.027 19.011 1.00 0.00 N ATOM 34 CD2 HIS A 3 19.330 -2.640 19.603 1.00 0.00 C ATOM 35 CE1 HIS A 3 21.349 -1.823 19.818 1.00 0.00 C ATOM 36 NE2 HIS A 3 20.559 -2.806 20.195 1.00 0.00 N ATOM 0 H HIS A 3 18.687 0.907 19.794 1.00 0.00 H new ATOM 0 HA HIS A 3 16.575 0.341 17.856 1.00 0.00 H new ATOM 0 HB2 HIS A 3 17.932 -1.613 17.304 1.00 0.00 H new ATOM 0 HB3 HIS A 3 18.902 -0.154 17.280 1.00 0.00 H new ATOM 0 HD2 HIS A 3 18.473 -3.287 19.715 1.00 0.00 H new ATOM 0 HE1 HIS A 3 22.378 -1.691 20.120 1.00 0.00 H new ATOM 0 HE2 HIS A 3 20.817 -3.567 20.824 1.00 0.00 H new ATOM 45 N HIS A 4 15.866 -0.479 20.649 1.00 0.00 N ATOM 46 CA HIS A 4 14.825 -1.130 21.461 1.00 0.00 C ATOM 47 C HIS A 4 13.449 -0.950 20.790 1.00 0.00 C ATOM 48 O HIS A 4 13.368 -0.561 19.621 1.00 0.00 O ATOM 49 CB HIS A 4 14.817 -0.534 22.902 1.00 0.00 C ATOM 50 CG HIS A 4 16.026 -0.877 23.724 1.00 0.00 C ATOM 51 ND1 HIS A 4 16.780 0.057 24.415 1.00 0.00 N ATOM 52 CD2 HIS A 4 16.580 -2.076 24.004 1.00 0.00 C ATOM 53 CE1 HIS A 4 17.742 -0.562 25.076 1.00 0.00 C ATOM 54 NE2 HIS A 4 17.638 -1.852 24.841 1.00 0.00 N ATOM 0 H HIS A 4 16.195 0.404 21.041 1.00 0.00 H new ATOM 0 HA HIS A 4 15.041 -2.196 21.532 1.00 0.00 H new ATOM 0 HB2 HIS A 4 14.736 0.551 22.833 1.00 0.00 H new ATOM 0 HB3 HIS A 4 13.927 -0.887 23.423 1.00 0.00 H new ATOM 0 HD2 HIS A 4 16.249 -3.035 23.635 1.00 0.00 H new ATOM 0 HE1 HIS A 4 18.485 -0.090 25.701 1.00 0.00 H new ATOM 0 HE2 HIS A 4 18.251 -2.572 25.223 1.00 0.00 H new ATOM 63 N HIS A 5 12.367 -1.275 21.518 1.00 0.00 N ATOM 64 CA HIS A 5 10.997 -0.965 21.077 1.00 0.00 C ATOM 65 C HIS A 5 10.802 0.565 21.072 1.00 0.00 C ATOM 66 O HIS A 5 10.439 1.156 22.093 1.00 0.00 O ATOM 67 CB HIS A 5 9.939 -1.661 21.974 1.00 0.00 C ATOM 68 CG HIS A 5 9.966 -3.167 21.916 1.00 0.00 C ATOM 69 ND1 HIS A 5 10.384 -3.961 22.963 1.00 0.00 N ATOM 70 CD2 HIS A 5 9.580 -4.023 20.937 1.00 0.00 C ATOM 71 CE1 HIS A 5 10.255 -5.229 22.632 1.00 0.00 C ATOM 72 NE2 HIS A 5 9.769 -5.299 21.409 1.00 0.00 N ATOM 0 H HIS A 5 12.416 -1.754 22.417 1.00 0.00 H new ATOM 0 HA HIS A 5 10.856 -1.350 20.067 1.00 0.00 H new ATOM 0 HB2 HIS A 5 10.093 -1.347 23.006 1.00 0.00 H new ATOM 0 HB3 HIS A 5 8.948 -1.316 21.680 1.00 0.00 H new ATOM 0 HD2 HIS A 5 9.195 -3.751 19.965 1.00 0.00 H new ATOM 0 HE1 HIS A 5 10.506 -6.072 23.259 1.00 0.00 H new ATOM 0 HE2 HIS A 5 9.567 -6.158 20.898 1.00 0.00 H new ATOM 81 N HIS A 6 11.124 1.199 19.927 1.00 0.00 N ATOM 82 CA HIS A 6 11.070 2.657 19.764 1.00 0.00 C ATOM 83 C HIS A 6 9.927 3.037 18.805 1.00 0.00 C ATOM 84 O HIS A 6 10.058 2.978 17.583 1.00 0.00 O ATOM 85 CB HIS A 6 12.454 3.216 19.309 1.00 0.00 C ATOM 86 CG HIS A 6 12.919 2.822 17.928 1.00 0.00 C ATOM 87 ND1 HIS A 6 12.993 3.712 16.880 1.00 0.00 N ATOM 88 CD2 HIS A 6 13.309 1.633 17.414 1.00 0.00 C ATOM 89 CE1 HIS A 6 13.406 3.091 15.805 1.00 0.00 C ATOM 90 NE2 HIS A 6 13.602 1.824 16.092 1.00 0.00 N ATOM 0 H HIS A 6 11.430 0.707 19.087 1.00 0.00 H new ATOM 0 HA HIS A 6 10.853 3.122 20.726 1.00 0.00 H new ATOM 0 HB2 HIS A 6 12.415 4.304 19.358 1.00 0.00 H new ATOM 0 HB3 HIS A 6 13.206 2.891 20.028 1.00 0.00 H new ATOM 0 HD2 HIS A 6 13.377 0.699 17.952 1.00 0.00 H new ATOM 0 HE1 HIS A 6 13.561 3.546 14.838 1.00 0.00 H new ATOM 0 HE2 HIS A 6 13.918 1.106 15.440 1.00 0.00 H new ATOM 99 N HIS A 7 8.762 3.345 19.378 1.00 0.00 N ATOM 100 CA HIS A 7 7.576 3.791 18.626 1.00 0.00 C ATOM 101 C HIS A 7 6.994 5.021 19.327 1.00 0.00 C ATOM 102 O HIS A 7 5.797 5.062 19.645 1.00 0.00 O ATOM 103 CB HIS A 7 6.519 2.647 18.496 1.00 0.00 C ATOM 104 CG HIS A 7 6.912 1.534 17.552 1.00 0.00 C ATOM 105 ND1 HIS A 7 6.386 1.409 16.286 1.00 0.00 N ATOM 106 CD2 HIS A 7 7.769 0.489 17.697 1.00 0.00 C ATOM 107 CE1 HIS A 7 6.894 0.347 15.702 1.00 0.00 C ATOM 108 NE2 HIS A 7 7.736 -0.231 16.531 1.00 0.00 N ATOM 0 H HIS A 7 8.609 3.293 20.385 1.00 0.00 H new ATOM 0 HA HIS A 7 7.865 4.056 17.609 1.00 0.00 H new ATOM 0 HB2 HIS A 7 6.339 2.222 19.483 1.00 0.00 H new ATOM 0 HB3 HIS A 7 5.576 3.077 18.158 1.00 0.00 H new ATOM 0 HD2 HIS A 7 8.366 0.267 18.569 1.00 0.00 H new ATOM 0 HE1 HIS A 7 6.659 0.005 14.705 1.00 0.00 H new ATOM 0 HE2 HIS A 7 8.275 -1.075 16.338 1.00 0.00 H new ATOM 117 N HIS A 8 7.875 6.018 19.568 1.00 0.00 N ATOM 118 CA HIS A 8 7.525 7.284 20.233 1.00 0.00 C ATOM 119 C HIS A 8 6.348 7.979 19.521 1.00 0.00 C ATOM 120 O HIS A 8 6.503 8.558 18.443 1.00 0.00 O ATOM 121 CB HIS A 8 8.761 8.222 20.310 1.00 0.00 C ATOM 122 CG HIS A 8 8.470 9.610 20.841 1.00 0.00 C ATOM 123 ND1 HIS A 8 8.480 10.734 20.041 1.00 0.00 N ATOM 124 CD2 HIS A 8 8.157 10.049 22.089 1.00 0.00 C ATOM 125 CE1 HIS A 8 8.185 11.794 20.768 1.00 0.00 C ATOM 126 NE2 HIS A 8 7.986 11.410 22.010 1.00 0.00 N ATOM 0 H HIS A 8 8.858 5.961 19.302 1.00 0.00 H new ATOM 0 HA HIS A 8 7.208 7.055 21.250 1.00 0.00 H new ATOM 0 HB2 HIS A 8 9.515 7.756 20.944 1.00 0.00 H new ATOM 0 HB3 HIS A 8 9.194 8.312 19.314 1.00 0.00 H new ATOM 0 HD2 HIS A 8 8.061 9.441 22.977 1.00 0.00 H new ATOM 0 HE1 HIS A 8 8.118 12.809 20.404 1.00 0.00 H new ATOM 0 HE2 HIS A 8 7.744 12.023 22.788 1.00 0.00 H new ATOM 135 N SER A 9 5.171 7.852 20.133 1.00 0.00 N ATOM 136 CA SER A 9 3.950 8.522 19.702 1.00 0.00 C ATOM 137 C SER A 9 4.010 10.019 20.077 1.00 0.00 C ATOM 138 O SER A 9 4.592 10.382 21.110 1.00 0.00 O ATOM 139 CB SER A 9 2.754 7.804 20.365 1.00 0.00 C ATOM 140 OG SER A 9 2.927 7.697 21.774 1.00 0.00 O ATOM 0 H SER A 9 5.040 7.268 20.959 1.00 0.00 H new ATOM 0 HA SER A 9 3.836 8.472 18.619 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.836 8.350 20.150 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.641 6.809 19.934 1.00 0.00 H new ATOM 0 HG SER A 9 2.153 7.240 22.165 1.00 0.00 H new ATOM 146 N HIS A 10 3.427 10.880 19.227 1.00 0.00 N ATOM 147 CA HIS A 10 3.437 12.342 19.420 1.00 0.00 C ATOM 148 C HIS A 10 2.209 12.981 18.745 1.00 0.00 C ATOM 149 O HIS A 10 2.307 13.590 17.672 1.00 0.00 O ATOM 150 CB HIS A 10 4.790 12.970 18.943 1.00 0.00 C ATOM 151 CG HIS A 10 5.277 12.499 17.598 1.00 0.00 C ATOM 152 ND1 HIS A 10 4.959 13.125 16.421 1.00 0.00 N ATOM 153 CD2 HIS A 10 6.080 11.462 17.259 1.00 0.00 C ATOM 154 CE1 HIS A 10 5.547 12.505 15.419 1.00 0.00 C ATOM 155 NE2 HIS A 10 6.230 11.491 15.900 1.00 0.00 N ATOM 0 H HIS A 10 2.934 10.583 18.385 1.00 0.00 H new ATOM 0 HA HIS A 10 3.364 12.556 20.486 1.00 0.00 H new ATOM 0 HB2 HIS A 10 4.678 14.054 18.912 1.00 0.00 H new ATOM 0 HB3 HIS A 10 5.556 12.750 19.686 1.00 0.00 H new ATOM 0 HD2 HIS A 10 6.520 10.745 17.936 1.00 0.00 H new ATOM 0 HE1 HIS A 10 5.479 12.783 14.378 1.00 0.00 H new ATOM 0 HE2 HIS A 10 6.782 10.833 15.350 1.00 0.00 H new ATOM 164 N MET A 11 1.044 12.783 19.409 1.00 0.00 N ATOM 165 CA MET A 11 -0.286 13.291 18.998 1.00 0.00 C ATOM 166 C MET A 11 -0.679 12.827 17.569 1.00 0.00 C ATOM 167 O MET A 11 -1.276 11.758 17.404 1.00 0.00 O ATOM 168 CB MET A 11 -0.391 14.840 19.178 1.00 0.00 C ATOM 169 CG MET A 11 -0.185 15.311 20.626 1.00 0.00 C ATOM 170 SD MET A 11 -0.289 17.104 20.842 1.00 0.00 S ATOM 171 CE MET A 11 1.113 17.676 19.885 1.00 0.00 C ATOM 0 H MET A 11 1.004 12.246 20.276 1.00 0.00 H new ATOM 0 HA MET A 11 -1.021 12.846 19.669 1.00 0.00 H new ATOM 0 HB2 MET A 11 0.350 15.322 18.540 1.00 0.00 H new ATOM 0 HB3 MET A 11 -1.371 15.171 18.834 1.00 0.00 H new ATOM 0 HG2 MET A 11 -0.932 14.835 21.261 1.00 0.00 H new ATOM 0 HG3 MET A 11 0.791 14.970 20.972 1.00 0.00 H new ATOM 0 HE1 MET A 11 1.307 18.724 20.114 1.00 0.00 H new ATOM 0 HE2 MET A 11 1.991 17.081 20.136 1.00 0.00 H new ATOM 0 HE3 MET A 11 0.895 17.571 18.822 1.00 0.00 H new ATOM 181 N LYS A 12 -0.318 13.621 16.544 1.00 0.00 N ATOM 182 CA LYS A 12 -0.675 13.356 15.131 1.00 0.00 C ATOM 183 C LYS A 12 0.540 13.619 14.230 1.00 0.00 C ATOM 184 O LYS A 12 1.279 14.578 14.463 1.00 0.00 O ATOM 185 CB LYS A 12 -1.845 14.273 14.669 1.00 0.00 C ATOM 186 CG LYS A 12 -3.152 14.116 15.467 1.00 0.00 C ATOM 187 CD LYS A 12 -4.290 14.996 14.910 1.00 0.00 C ATOM 188 CE LYS A 12 -5.605 14.827 15.691 1.00 0.00 C ATOM 189 NZ LYS A 12 -5.512 15.329 17.090 1.00 0.00 N ATOM 0 H LYS A 12 0.233 14.470 16.670 1.00 0.00 H new ATOM 0 HA LYS A 12 -0.986 12.314 15.053 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.520 15.311 14.735 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -2.052 14.070 13.618 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.462 13.071 15.449 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -2.972 14.377 16.510 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.985 16.042 14.942 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.459 14.745 13.863 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.402 15.358 15.171 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.881 13.773 15.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.438 15.238 17.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.807 14.772 17.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.226 16.329 17.082 1.00 0.00 H new ATOM 203 N ARG A 13 0.720 12.775 13.199 1.00 0.00 N ATOM 204 CA ARG A 13 1.759 12.962 12.178 1.00 0.00 C ATOM 205 C ARG A 13 1.554 11.972 11.023 1.00 0.00 C ATOM 206 O ARG A 13 1.275 12.380 9.885 1.00 0.00 O ATOM 207 CB ARG A 13 3.184 12.775 12.786 1.00 0.00 C ATOM 208 CG ARG A 13 4.371 12.947 11.802 1.00 0.00 C ATOM 209 CD ARG A 13 4.482 14.368 11.207 1.00 0.00 C ATOM 210 NE ARG A 13 3.525 14.622 10.108 1.00 0.00 N ATOM 211 CZ ARG A 13 3.149 15.839 9.673 1.00 0.00 C ATOM 212 NH1 ARG A 13 3.654 16.954 10.212 1.00 0.00 N ATOM 213 NH2 ARG A 13 2.290 15.946 8.675 1.00 0.00 N ATOM 0 H ARG A 13 0.147 11.944 13.052 1.00 0.00 H new ATOM 0 HA ARG A 13 1.677 13.981 11.799 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.307 13.489 13.600 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.243 11.779 13.224 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.299 12.706 12.320 1.00 0.00 H new ATOM 0 HG3 ARG A 13 4.264 12.229 10.989 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.317 15.099 11.999 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.496 14.521 10.838 1.00 0.00 H new ATOM 0 HE ARG A 13 3.118 13.811 9.643 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.337 16.891 10.967 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.356 17.867 9.868 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.912 15.107 8.235 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.004 16.868 8.345 1.00 0.00 H new ATOM 227 N SER A 14 1.685 10.667 11.354 1.00 0.00 N ATOM 228 CA SER A 14 1.835 9.564 10.383 1.00 0.00 C ATOM 229 C SER A 14 3.160 9.734 9.610 1.00 0.00 C ATOM 230 O SER A 14 4.117 8.974 9.805 1.00 0.00 O ATOM 231 CB SER A 14 0.608 9.450 9.433 1.00 0.00 C ATOM 232 OG SER A 14 -0.599 9.224 10.154 1.00 0.00 O ATOM 0 H SER A 14 1.689 10.347 12.323 1.00 0.00 H new ATOM 0 HA SER A 14 1.873 8.621 10.929 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.516 10.364 8.847 1.00 0.00 H new ATOM 0 HB3 SER A 14 0.769 8.634 8.728 1.00 0.00 H new ATOM 0 HG SER A 14 -1.348 9.159 9.526 1.00 0.00 H new ATOM 238 N GLY A 15 3.189 10.758 8.752 1.00 0.00 N ATOM 239 CA GLY A 15 4.388 11.195 8.062 1.00 0.00 C ATOM 240 C GLY A 15 4.017 12.166 6.958 1.00 0.00 C ATOM 241 O GLY A 15 3.398 13.205 7.231 1.00 0.00 O ATOM 0 H GLY A 15 2.363 11.310 8.519 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.070 11.672 8.765 1.00 0.00 H new ATOM 0 HA3 GLY A 15 4.912 10.336 7.643 1.00 0.00 H new ATOM 245 N ARG A 16 4.372 11.815 5.724 1.00 0.00 N ATOM 246 CA ARG A 16 4.037 12.604 4.529 1.00 0.00 C ATOM 247 C ARG A 16 2.804 12.029 3.829 1.00 0.00 C ATOM 248 O ARG A 16 2.809 10.864 3.423 1.00 0.00 O ATOM 249 CB ARG A 16 5.243 12.637 3.563 1.00 0.00 C ATOM 250 CG ARG A 16 6.450 13.451 4.079 1.00 0.00 C ATOM 251 CD ARG A 16 6.077 14.907 4.403 1.00 0.00 C ATOM 252 NE ARG A 16 7.245 15.737 4.717 1.00 0.00 N ATOM 253 CZ ARG A 16 7.207 16.929 5.335 1.00 0.00 C ATOM 254 NH1 ARG A 16 6.049 17.457 5.742 1.00 0.00 N ATOM 255 NH2 ARG A 16 8.332 17.598 5.522 1.00 0.00 N ATOM 0 H ARG A 16 4.904 10.970 5.518 1.00 0.00 H new ATOM 0 HA ARG A 16 3.806 13.623 4.838 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.566 11.614 3.369 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.919 13.055 2.610 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.852 12.974 4.973 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.241 13.439 3.329 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.548 15.339 3.554 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.389 14.921 5.248 1.00 0.00 H new ATOM 0 HE ARG A 16 8.161 15.380 4.444 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.176 16.954 5.585 1.00 0.00 H new ATOM 0 HH12 ARG A 16 6.038 18.363 6.210 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.217 17.208 5.198 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.315 18.504 5.990 1.00 0.00 H new ATOM 269 N GLU A 17 1.753 12.855 3.677 1.00 0.00 N ATOM 270 CA GLU A 17 0.553 12.449 2.960 1.00 0.00 C ATOM 271 C GLU A 17 0.854 12.585 1.461 1.00 0.00 C ATOM 272 O GLU A 17 1.032 13.696 0.942 1.00 0.00 O ATOM 273 CB GLU A 17 -0.681 13.298 3.356 1.00 0.00 C ATOM 274 CG GLU A 17 -2.007 12.807 2.727 1.00 0.00 C ATOM 275 CD GLU A 17 -3.197 13.721 3.049 1.00 0.00 C ATOM 276 OE1 GLU A 17 -3.434 14.694 2.298 1.00 0.00 O ATOM 277 OE2 GLU A 17 -3.890 13.493 4.058 1.00 0.00 O ATOM 0 H GLU A 17 1.720 13.806 4.045 1.00 0.00 H new ATOM 0 HA GLU A 17 0.301 11.420 3.217 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.781 13.292 4.441 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.509 14.332 3.057 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.888 12.742 1.645 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.222 11.800 3.085 1.00 0.00 H new ATOM 284 N ILE A 18 0.965 11.438 0.809 1.00 0.00 N ATOM 285 CA ILE A 18 1.217 11.312 -0.620 1.00 0.00 C ATOM 286 C ILE A 18 -0.087 10.903 -1.321 1.00 0.00 C ATOM 287 O ILE A 18 -1.117 10.690 -0.670 1.00 0.00 O ATOM 288 CB ILE A 18 2.339 10.235 -0.875 1.00 0.00 C ATOM 289 CG1 ILE A 18 1.894 8.824 -0.345 1.00 0.00 C ATOM 290 CG2 ILE A 18 3.679 10.678 -0.224 1.00 0.00 C ATOM 291 CD1 ILE A 18 2.904 7.714 -0.560 1.00 0.00 C ATOM 0 H ILE A 18 0.879 10.536 1.277 1.00 0.00 H new ATOM 0 HA ILE A 18 1.560 12.266 -1.021 1.00 0.00 H new ATOM 0 HB ILE A 18 2.495 10.152 -1.951 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.684 8.902 0.722 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.961 8.546 -0.834 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.442 9.922 -0.411 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.996 11.628 -0.655 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.540 10.796 0.851 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.508 6.780 -0.162 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.098 7.601 -1.626 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.833 7.963 -0.046 1.00 0.00 H new ATOM 303 N THR A 19 -0.027 10.806 -2.645 1.00 0.00 N ATOM 304 CA THR A 19 -1.127 10.288 -3.463 1.00 0.00 C ATOM 305 C THR A 19 -0.935 8.773 -3.663 1.00 0.00 C ATOM 306 O THR A 19 0.162 8.250 -3.416 1.00 0.00 O ATOM 307 CB THR A 19 -1.172 11.020 -4.843 1.00 0.00 C ATOM 308 OG1 THR A 19 0.057 10.809 -5.550 1.00 0.00 O ATOM 309 CG2 THR A 19 -1.410 12.533 -4.684 1.00 0.00 C ATOM 0 H THR A 19 0.790 11.085 -3.188 1.00 0.00 H new ATOM 0 HA THR A 19 -2.074 10.469 -2.954 1.00 0.00 H new ATOM 0 HB THR A 19 -2.007 10.601 -5.405 1.00 0.00 H new ATOM 0 HG1 THR A 19 0.020 11.269 -6.414 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.434 13.003 -5.667 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.361 12.701 -4.178 1.00 0.00 H new ATOM 0 HG23 THR A 19 -0.604 12.968 -4.094 1.00 0.00 H new ATOM 317 N TRP A 20 -2.011 8.074 -4.082 1.00 0.00 N ATOM 318 CA TRP A 20 -1.941 6.655 -4.487 1.00 0.00 C ATOM 319 C TRP A 20 -0.950 6.498 -5.655 1.00 0.00 C ATOM 320 O TRP A 20 -0.155 5.563 -5.668 1.00 0.00 O ATOM 321 CB TRP A 20 -3.357 6.119 -4.861 1.00 0.00 C ATOM 322 CG TRP A 20 -3.389 4.704 -5.411 1.00 0.00 C ATOM 323 CD1 TRP A 20 -3.701 4.335 -6.688 1.00 0.00 C ATOM 324 CD2 TRP A 20 -3.103 3.479 -4.710 1.00 0.00 C ATOM 325 NE1 TRP A 20 -3.637 2.977 -6.821 1.00 0.00 N ATOM 326 CE2 TRP A 20 -3.277 2.429 -5.625 1.00 0.00 C ATOM 327 CE3 TRP A 20 -2.722 3.172 -3.404 1.00 0.00 C ATOM 328 CZ2 TRP A 20 -3.088 1.096 -5.277 1.00 0.00 C ATOM 329 CZ3 TRP A 20 -2.531 1.847 -3.058 1.00 0.00 C ATOM 330 CH2 TRP A 20 -2.715 0.824 -3.992 1.00 0.00 C ATOM 0 H TRP A 20 -2.947 8.475 -4.149 1.00 0.00 H new ATOM 0 HA TRP A 20 -1.580 6.059 -3.649 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -3.990 6.161 -3.974 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.798 6.789 -5.599 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -3.962 5.020 -7.481 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -3.828 2.456 -7.677 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -2.579 3.956 -2.675 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -3.231 0.304 -5.997 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -2.235 1.599 -2.050 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -2.559 -0.202 -3.692 1.00 0.00 H new ATOM 341 N LYS A 21 -0.998 7.458 -6.607 1.00 0.00 N ATOM 342 CA LYS A 21 -0.048 7.548 -7.735 1.00 0.00 C ATOM 343 C LYS A 21 1.422 7.521 -7.250 1.00 0.00 C ATOM 344 O LYS A 21 2.198 6.637 -7.640 1.00 0.00 O ATOM 345 CB LYS A 21 -0.324 8.848 -8.553 1.00 0.00 C ATOM 346 CG LYS A 21 0.662 9.109 -9.727 1.00 0.00 C ATOM 347 CD LYS A 21 0.655 8.004 -10.808 1.00 0.00 C ATOM 348 CE LYS A 21 -0.679 7.925 -11.565 1.00 0.00 C ATOM 349 NZ LYS A 21 -0.682 6.828 -12.561 1.00 0.00 N ATOM 0 H LYS A 21 -1.702 8.196 -6.612 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.198 6.677 -8.373 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.337 8.799 -8.953 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.290 9.700 -7.874 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.412 10.062 -10.194 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.671 9.205 -9.326 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.461 8.191 -11.518 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.860 7.041 -10.339 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.492 7.773 -10.855 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.868 8.873 -12.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.599 6.807 -13.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.077 6.986 -13.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.527 5.920 -12.078 1.00 0.00 H new ATOM 363 N ASP A 22 1.770 8.480 -6.371 1.00 0.00 N ATOM 364 CA ASP A 22 3.148 8.666 -5.873 1.00 0.00 C ATOM 365 C ASP A 22 3.601 7.464 -5.037 1.00 0.00 C ATOM 366 O ASP A 22 4.780 7.093 -5.060 1.00 0.00 O ATOM 367 CB ASP A 22 3.235 9.962 -5.036 1.00 0.00 C ATOM 368 CG ASP A 22 4.661 10.283 -4.550 1.00 0.00 C ATOM 369 OD1 ASP A 22 5.437 10.891 -5.321 1.00 0.00 O ATOM 370 OD2 ASP A 22 5.005 9.943 -3.401 1.00 0.00 O ATOM 0 H ASP A 22 1.103 9.149 -5.985 1.00 0.00 H new ATOM 0 HA ASP A 22 3.814 8.748 -6.732 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.866 10.796 -5.633 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.576 9.872 -4.172 1.00 0.00 H new ATOM 375 N PHE A 23 2.643 6.877 -4.300 1.00 0.00 N ATOM 376 CA PHE A 23 2.865 5.655 -3.525 1.00 0.00 C ATOM 377 C PHE A 23 3.422 4.530 -4.406 1.00 0.00 C ATOM 378 O PHE A 23 4.477 3.973 -4.108 1.00 0.00 O ATOM 379 CB PHE A 23 1.563 5.180 -2.814 1.00 0.00 C ATOM 380 CG PHE A 23 1.724 3.817 -2.127 1.00 0.00 C ATOM 381 CD1 PHE A 23 2.648 3.647 -1.093 1.00 0.00 C ATOM 382 CD2 PHE A 23 1.005 2.702 -2.558 1.00 0.00 C ATOM 383 CE1 PHE A 23 2.838 2.412 -0.515 1.00 0.00 C ATOM 384 CE2 PHE A 23 1.204 1.467 -1.981 1.00 0.00 C ATOM 385 CZ PHE A 23 2.120 1.323 -0.959 1.00 0.00 C ATOM 0 H PHE A 23 1.693 7.241 -4.228 1.00 0.00 H new ATOM 0 HA PHE A 23 3.603 5.896 -2.760 1.00 0.00 H new ATOM 0 HB2 PHE A 23 1.268 5.923 -2.073 1.00 0.00 H new ATOM 0 HB3 PHE A 23 0.756 5.120 -3.545 1.00 0.00 H new ATOM 0 HD1 PHE A 23 3.220 4.494 -0.743 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.283 2.808 -3.354 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.551 2.297 0.288 1.00 0.00 H new ATOM 0 HE2 PHE A 23 0.643 0.612 -2.328 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.274 0.355 -0.506 1.00 0.00 H new ATOM 395 N VAL A 24 2.709 4.223 -5.494 1.00 0.00 N ATOM 396 CA VAL A 24 3.052 3.098 -6.370 1.00 0.00 C ATOM 397 C VAL A 24 4.408 3.337 -7.051 1.00 0.00 C ATOM 398 O VAL A 24 5.307 2.498 -6.979 1.00 0.00 O ATOM 399 CB VAL A 24 1.951 2.874 -7.459 1.00 0.00 C ATOM 400 CG1 VAL A 24 2.259 1.628 -8.321 1.00 0.00 C ATOM 401 CG2 VAL A 24 0.552 2.782 -6.818 1.00 0.00 C ATOM 0 H VAL A 24 1.883 4.743 -5.791 1.00 0.00 H new ATOM 0 HA VAL A 24 3.115 2.205 -5.749 1.00 0.00 H new ATOM 0 HB VAL A 24 1.957 3.739 -8.122 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.476 1.500 -9.068 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.219 1.759 -8.821 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.300 0.745 -7.683 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.195 2.626 -7.596 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.527 1.947 -6.118 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.334 3.708 -6.286 1.00 0.00 H new ATOM 411 N ASN A 25 4.535 4.522 -7.652 1.00 0.00 N ATOM 412 CA ASN A 25 5.675 4.894 -8.502 1.00 0.00 C ATOM 413 C ASN A 25 6.987 4.992 -7.705 1.00 0.00 C ATOM 414 O ASN A 25 8.018 4.494 -8.153 1.00 0.00 O ATOM 415 CB ASN A 25 5.380 6.239 -9.237 1.00 0.00 C ATOM 416 CG ASN A 25 4.190 6.164 -10.211 1.00 0.00 C ATOM 417 OD1 ASN A 25 3.261 5.381 -10.028 1.00 0.00 O ATOM 418 ND2 ASN A 25 4.199 6.991 -11.246 1.00 0.00 N ATOM 0 H ASN A 25 3.840 5.263 -7.562 1.00 0.00 H new ATOM 0 HA ASN A 25 5.807 4.102 -9.239 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.183 7.013 -8.495 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.270 6.545 -9.787 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.425 6.986 -11.910 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.980 7.633 -11.379 1.00 0.00 H new ATOM 425 N ASN A 26 6.944 5.643 -6.531 1.00 0.00 N ATOM 426 CA ASN A 26 8.156 5.972 -5.746 1.00 0.00 C ATOM 427 C ASN A 26 8.465 4.932 -4.645 1.00 0.00 C ATOM 428 O ASN A 26 9.621 4.815 -4.225 1.00 0.00 O ATOM 429 CB ASN A 26 8.007 7.384 -5.097 1.00 0.00 C ATOM 430 CG ASN A 26 7.766 8.523 -6.103 1.00 0.00 C ATOM 431 OD1 ASN A 26 7.147 8.334 -7.151 1.00 0.00 O ATOM 432 ND2 ASN A 26 8.246 9.713 -5.785 1.00 0.00 N ATOM 0 H ASN A 26 6.076 5.957 -6.097 1.00 0.00 H new ATOM 0 HA ASN A 26 8.992 5.961 -6.446 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.179 7.360 -4.389 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.908 7.605 -4.525 1.00 0.00 H new ATOM 0 HD21 ASN A 26 8.107 10.504 -6.414 1.00 0.00 H new ATOM 0 HD22 ASN A 26 8.755 9.841 -4.910 1.00 0.00 H new ATOM 439 N TYR A 27 7.457 4.185 -4.158 1.00 0.00 N ATOM 440 CA TYR A 27 7.617 3.330 -2.946 1.00 0.00 C ATOM 441 C TYR A 27 7.307 1.847 -3.223 1.00 0.00 C ATOM 442 O TYR A 27 8.196 0.985 -3.108 1.00 0.00 O ATOM 443 CB TYR A 27 6.721 3.864 -1.789 1.00 0.00 C ATOM 444 CG TYR A 27 7.027 5.317 -1.399 1.00 0.00 C ATOM 445 CD1 TYR A 27 8.176 5.637 -0.675 1.00 0.00 C ATOM 446 CD2 TYR A 27 6.184 6.369 -1.768 1.00 0.00 C ATOM 447 CE1 TYR A 27 8.463 6.941 -0.330 1.00 0.00 C ATOM 448 CE2 TYR A 27 6.476 7.672 -1.423 1.00 0.00 C ATOM 449 CZ TYR A 27 7.611 7.949 -0.705 1.00 0.00 C ATOM 450 OH TYR A 27 7.896 9.243 -0.354 1.00 0.00 O ATOM 0 H TYR A 27 6.527 4.149 -4.574 1.00 0.00 H new ATOM 0 HA TYR A 27 8.665 3.386 -2.650 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.675 3.788 -2.086 1.00 0.00 H new ATOM 0 HB3 TYR A 27 6.852 3.226 -0.915 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.853 4.849 -0.379 1.00 0.00 H new ATOM 0 HD2 TYR A 27 5.288 6.158 -2.333 1.00 0.00 H new ATOM 0 HE1 TYR A 27 9.356 7.168 0.234 1.00 0.00 H new ATOM 0 HE2 TYR A 27 5.813 8.472 -1.717 1.00 0.00 H new ATOM 0 HH TYR A 27 7.195 9.837 -0.696 1.00 0.00 H new ATOM 460 N LEU A 28 6.035 1.571 -3.560 1.00 0.00 N ATOM 461 CA LEU A 28 5.504 0.208 -3.721 1.00 0.00 C ATOM 462 C LEU A 28 6.317 -0.612 -4.737 1.00 0.00 C ATOM 463 O LEU A 28 6.732 -1.730 -4.431 1.00 0.00 O ATOM 464 CB LEU A 28 4.012 0.263 -4.136 1.00 0.00 C ATOM 465 CG LEU A 28 3.273 -1.110 -4.264 1.00 0.00 C ATOM 466 CD1 LEU A 28 3.283 -1.898 -2.936 1.00 0.00 C ATOM 467 CD2 LEU A 28 1.831 -0.918 -4.769 1.00 0.00 C ATOM 0 H LEU A 28 5.339 2.297 -3.730 1.00 0.00 H new ATOM 0 HA LEU A 28 5.590 -0.296 -2.758 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.477 0.872 -3.407 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.943 0.778 -5.094 1.00 0.00 H new ATOM 0 HG LEU A 28 3.821 -1.699 -4.999 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.759 -2.844 -3.071 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.313 -2.093 -2.636 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.784 -1.314 -2.163 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.341 -1.888 -4.849 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.281 -0.290 -4.068 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.849 -0.439 -5.748 1.00 0.00 H new ATOM 479 N SER A 29 6.575 -0.023 -5.921 1.00 0.00 N ATOM 480 CA SER A 29 7.314 -0.693 -7.014 1.00 0.00 C ATOM 481 C SER A 29 8.785 -1.001 -6.647 1.00 0.00 C ATOM 482 O SER A 29 9.387 -1.913 -7.214 1.00 0.00 O ATOM 483 CB SER A 29 7.243 0.173 -8.282 1.00 0.00 C ATOM 484 OG SER A 29 7.766 1.475 -8.050 1.00 0.00 O ATOM 0 H SER A 29 6.279 0.926 -6.148 1.00 0.00 H new ATOM 0 HA SER A 29 6.836 -1.656 -7.192 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.802 -0.308 -9.085 1.00 0.00 H new ATOM 0 HB3 SER A 29 6.208 0.249 -8.615 1.00 0.00 H new ATOM 0 HG SER A 29 7.068 2.044 -7.663 1.00 0.00 H new ATOM 490 N LYS A 30 9.344 -0.256 -5.672 1.00 0.00 N ATOM 491 CA LYS A 30 10.740 -0.449 -5.211 1.00 0.00 C ATOM 492 C LYS A 30 10.791 -1.481 -4.061 1.00 0.00 C ATOM 493 O LYS A 30 11.880 -1.829 -3.595 1.00 0.00 O ATOM 494 CB LYS A 30 11.389 0.897 -4.751 1.00 0.00 C ATOM 495 CG LYS A 30 11.804 1.875 -5.879 1.00 0.00 C ATOM 496 CD LYS A 30 10.608 2.582 -6.544 1.00 0.00 C ATOM 497 CE LYS A 30 11.050 3.622 -7.584 1.00 0.00 C ATOM 498 NZ LYS A 30 11.662 3.003 -8.787 1.00 0.00 N ATOM 0 H LYS A 30 8.849 0.490 -5.184 1.00 0.00 H new ATOM 0 HA LYS A 30 11.314 -0.826 -6.057 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.686 1.410 -4.094 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.272 0.666 -4.155 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.479 2.626 -5.469 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.361 1.327 -6.639 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.971 1.839 -7.024 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.006 3.071 -5.778 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.188 4.218 -7.885 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.766 4.305 -7.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.942 3.748 -9.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.501 2.456 -8.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.972 2.371 -9.241 1.00 0.00 H new ATOM 512 N GLY A 31 9.603 -1.962 -3.622 1.00 0.00 N ATOM 513 CA GLY A 31 9.480 -2.921 -2.510 1.00 0.00 C ATOM 514 C GLY A 31 9.962 -2.394 -1.155 1.00 0.00 C ATOM 515 O GLY A 31 10.209 -3.184 -0.236 1.00 0.00 O ATOM 0 H GLY A 31 8.708 -1.694 -4.031 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.435 -3.218 -2.418 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.046 -3.819 -2.758 1.00 0.00 H new ATOM 519 N VAL A 32 10.064 -1.055 -1.009 1.00 0.00 N ATOM 520 CA VAL A 32 10.550 -0.424 0.243 1.00 0.00 C ATOM 521 C VAL A 32 9.449 -0.381 1.323 1.00 0.00 C ATOM 522 O VAL A 32 9.683 0.078 2.446 1.00 0.00 O ATOM 523 CB VAL A 32 11.128 1.018 -0.015 1.00 0.00 C ATOM 524 CG1 VAL A 32 12.284 0.973 -1.042 1.00 0.00 C ATOM 525 CG2 VAL A 32 10.030 2.017 -0.446 1.00 0.00 C ATOM 0 H VAL A 32 9.817 -0.389 -1.741 1.00 0.00 H new ATOM 0 HA VAL A 32 11.363 -1.049 0.614 1.00 0.00 H new ATOM 0 HB VAL A 32 11.529 1.381 0.931 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.667 1.981 -1.204 1.00 0.00 H new ATOM 0 HG12 VAL A 32 13.084 0.338 -0.662 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.917 0.569 -1.985 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.476 2.998 -0.613 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.563 1.669 -1.367 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.276 2.089 0.338 1.00 0.00 H new ATOM 535 N VAL A 33 8.268 -0.907 0.970 1.00 0.00 N ATOM 536 CA VAL A 33 7.101 -0.972 1.846 1.00 0.00 C ATOM 537 C VAL A 33 7.068 -2.351 2.534 1.00 0.00 C ATOM 538 O VAL A 33 7.292 -3.374 1.882 1.00 0.00 O ATOM 539 CB VAL A 33 5.777 -0.749 1.019 1.00 0.00 C ATOM 540 CG1 VAL A 33 4.529 -0.734 1.928 1.00 0.00 C ATOM 541 CG2 VAL A 33 5.864 0.540 0.172 1.00 0.00 C ATOM 0 H VAL A 33 8.099 -1.306 0.047 1.00 0.00 H new ATOM 0 HA VAL A 33 7.170 -0.186 2.598 1.00 0.00 H new ATOM 0 HB VAL A 33 5.672 -1.595 0.339 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.638 -0.578 1.320 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.449 -1.687 2.452 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.618 0.073 2.655 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.938 0.670 -0.389 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.014 1.397 0.828 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.701 0.463 -0.522 1.00 0.00 H new ATOM 551 N ASP A 34 6.807 -2.348 3.842 1.00 0.00 N ATOM 552 CA ASP A 34 6.626 -3.561 4.655 1.00 0.00 C ATOM 553 C ASP A 34 5.195 -4.066 4.478 1.00 0.00 C ATOM 554 O ASP A 34 4.960 -5.213 4.090 1.00 0.00 O ATOM 555 CB ASP A 34 6.873 -3.204 6.147 1.00 0.00 C ATOM 556 CG ASP A 34 6.898 -4.405 7.093 1.00 0.00 C ATOM 557 OD1 ASP A 34 7.983 -4.980 7.315 1.00 0.00 O ATOM 558 OD2 ASP A 34 5.843 -4.764 7.646 1.00 0.00 O ATOM 0 H ASP A 34 6.713 -1.487 4.381 1.00 0.00 H new ATOM 0 HA ASP A 34 7.327 -4.335 4.343 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.822 -2.675 6.228 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.095 -2.515 6.476 1.00 0.00 H new ATOM 563 N ARG A 35 4.255 -3.140 4.726 1.00 0.00 N ATOM 564 CA ARG A 35 2.817 -3.426 4.799 1.00 0.00 C ATOM 565 C ARG A 35 2.019 -2.109 4.802 1.00 0.00 C ATOM 566 O ARG A 35 2.579 -1.027 5.034 1.00 0.00 O ATOM 567 CB ARG A 35 2.492 -4.294 6.049 1.00 0.00 C ATOM 568 CG ARG A 35 2.663 -3.585 7.409 1.00 0.00 C ATOM 569 CD ARG A 35 2.606 -4.566 8.592 1.00 0.00 C ATOM 570 NE ARG A 35 2.573 -3.867 9.885 1.00 0.00 N ATOM 571 CZ ARG A 35 3.637 -3.577 10.646 1.00 0.00 C ATOM 572 NH1 ARG A 35 4.859 -3.925 10.264 1.00 0.00 N ATOM 573 NH2 ARG A 35 3.466 -2.918 11.779 1.00 0.00 N ATOM 0 H ARG A 35 4.478 -2.157 4.884 1.00 0.00 H new ATOM 0 HA ARG A 35 2.523 -3.999 3.920 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.464 -4.646 5.969 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.133 -5.176 6.035 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.617 -3.057 7.423 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.882 -2.834 7.525 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.722 -5.197 8.498 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.473 -5.226 8.558 1.00 0.00 H new ATOM 0 HE ARG A 35 1.659 -3.577 10.234 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.996 -4.419 9.382 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.661 -3.699 10.852 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.530 -2.634 12.068 1.00 0.00 H new ATOM 0 HH22 ARG A 35 4.270 -2.693 12.365 1.00 0.00 H new ATOM 587 N LEU A 36 0.710 -2.214 4.536 1.00 0.00 N ATOM 588 CA LEU A 36 -0.208 -1.075 4.473 1.00 0.00 C ATOM 589 C LEU A 36 -1.264 -1.214 5.568 1.00 0.00 C ATOM 590 O LEU A 36 -2.169 -2.049 5.476 1.00 0.00 O ATOM 591 CB LEU A 36 -0.851 -0.990 3.064 1.00 0.00 C ATOM 592 CG LEU A 36 0.119 -0.564 1.927 1.00 0.00 C ATOM 593 CD1 LEU A 36 -0.614 -0.431 0.582 1.00 0.00 C ATOM 594 CD2 LEU A 36 0.864 0.734 2.295 1.00 0.00 C ATOM 0 H LEU A 36 0.254 -3.109 4.356 1.00 0.00 H new ATOM 0 HA LEU A 36 0.338 -0.147 4.642 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.275 -1.963 2.815 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.679 -0.282 3.100 1.00 0.00 H new ATOM 0 HG LEU A 36 0.863 -1.352 1.812 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.094 -0.132 -0.190 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.060 -1.389 0.314 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.397 0.322 0.667 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.536 1.010 1.483 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.142 1.534 2.457 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.441 0.576 3.206 1.00 0.00 H new ATOM 606 N GLU A 37 -1.110 -0.404 6.619 1.00 0.00 N ATOM 607 CA GLU A 37 -1.945 -0.461 7.814 1.00 0.00 C ATOM 608 C GLU A 37 -3.071 0.575 7.720 1.00 0.00 C ATOM 609 O GLU A 37 -2.830 1.776 7.808 1.00 0.00 O ATOM 610 CB GLU A 37 -1.058 -0.245 9.060 1.00 0.00 C ATOM 611 CG GLU A 37 0.142 -1.213 9.132 1.00 0.00 C ATOM 612 CD GLU A 37 0.745 -1.335 10.532 1.00 0.00 C ATOM 613 OE1 GLU A 37 0.307 -2.220 11.293 1.00 0.00 O ATOM 614 OE2 GLU A 37 1.676 -0.580 10.873 1.00 0.00 O ATOM 0 H GLU A 37 -0.391 0.318 6.661 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.417 -1.440 7.898 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.689 0.781 9.061 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.667 -0.365 9.956 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.177 -2.199 8.795 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.914 -0.874 8.441 1.00 0.00 H new ATOM 621 N VAL A 38 -4.306 0.081 7.566 1.00 0.00 N ATOM 622 CA VAL A 38 -5.481 0.905 7.274 1.00 0.00 C ATOM 623 C VAL A 38 -6.121 1.324 8.611 1.00 0.00 C ATOM 624 O VAL A 38 -6.913 0.571 9.189 1.00 0.00 O ATOM 625 CB VAL A 38 -6.511 0.122 6.369 1.00 0.00 C ATOM 626 CG1 VAL A 38 -7.579 1.067 5.786 1.00 0.00 C ATOM 627 CG2 VAL A 38 -5.789 -0.658 5.248 1.00 0.00 C ATOM 0 H VAL A 38 -4.518 -0.914 7.642 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.181 1.792 6.716 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.022 -0.602 7.005 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.272 0.496 5.168 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.126 1.544 6.599 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.095 1.831 5.177 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.524 -1.187 4.641 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.234 0.038 4.620 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.099 -1.376 5.691 1.00 0.00 H new ATOM 637 N VAL A 39 -5.733 2.516 9.104 1.00 0.00 N ATOM 638 CA VAL A 39 -6.091 3.000 10.442 1.00 0.00 C ATOM 639 C VAL A 39 -7.585 3.365 10.513 1.00 0.00 C ATOM 640 O VAL A 39 -8.052 4.258 9.790 1.00 0.00 O ATOM 641 CB VAL A 39 -5.207 4.232 10.848 1.00 0.00 C ATOM 642 CG1 VAL A 39 -5.577 4.773 12.253 1.00 0.00 C ATOM 643 CG2 VAL A 39 -3.695 3.886 10.753 1.00 0.00 C ATOM 0 H VAL A 39 -5.157 3.172 8.576 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.901 2.193 11.150 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.415 5.031 10.136 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.941 5.625 12.494 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.621 5.086 12.259 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.429 3.989 12.995 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.104 4.756 11.039 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.469 3.057 11.423 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.450 3.602 9.729 1.00 0.00 H new ATOM 653 N ASN A 40 -8.303 2.639 11.392 1.00 0.00 N ATOM 654 CA ASN A 40 -9.766 2.735 11.595 1.00 0.00 C ATOM 655 C ASN A 40 -10.568 2.554 10.293 1.00 0.00 C ATOM 656 O ASN A 40 -11.750 2.937 10.222 1.00 0.00 O ATOM 657 CB ASN A 40 -10.164 4.045 12.340 1.00 0.00 C ATOM 658 CG ASN A 40 -9.741 4.053 13.814 1.00 0.00 C ATOM 659 OD1 ASN A 40 -8.683 3.533 14.171 1.00 0.00 O ATOM 660 ND2 ASN A 40 -10.570 4.618 14.683 1.00 0.00 N ATOM 0 H ASN A 40 -7.868 1.946 12.001 1.00 0.00 H new ATOM 0 HA ASN A 40 -10.036 1.897 12.238 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -9.709 4.896 11.833 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -11.244 4.177 12.278 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -10.338 4.629 15.676 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -11.439 5.041 14.358 1.00 0.00 H new ATOM 667 N LYS A 41 -9.936 1.886 9.301 1.00 0.00 N ATOM 668 CA LYS A 41 -10.447 1.738 7.927 1.00 0.00 C ATOM 669 C LYS A 41 -10.809 3.083 7.237 1.00 0.00 C ATOM 670 O LYS A 41 -11.499 3.086 6.219 1.00 0.00 O ATOM 671 CB LYS A 41 -11.640 0.739 7.906 1.00 0.00 C ATOM 672 CG LYS A 41 -11.285 -0.684 8.395 1.00 0.00 C ATOM 673 CD LYS A 41 -12.489 -1.663 8.412 1.00 0.00 C ATOM 674 CE LYS A 41 -13.025 -2.035 7.013 1.00 0.00 C ATOM 675 NZ LYS A 41 -13.804 -0.943 6.356 1.00 0.00 N ATOM 0 H LYS A 41 -9.036 1.426 9.441 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.629 1.332 7.332 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -12.442 1.135 8.529 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -12.028 0.675 6.889 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.505 -1.094 7.753 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.869 -0.619 9.400 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -12.193 -2.576 8.929 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -13.297 -1.216 8.991 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.185 -2.306 6.373 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.658 -2.918 7.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.761 -1.284 6.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.867 -0.127 6.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.327 -0.656 5.478 1.00 0.00 H new ATOM 689 N ARG A 42 -10.317 4.216 7.766 1.00 0.00 N ATOM 690 CA ARG A 42 -10.620 5.558 7.225 1.00 0.00 C ATOM 691 C ARG A 42 -9.574 5.964 6.190 1.00 0.00 C ATOM 692 O ARG A 42 -9.903 6.558 5.164 1.00 0.00 O ATOM 693 CB ARG A 42 -10.697 6.603 8.371 1.00 0.00 C ATOM 694 CG ARG A 42 -11.700 6.217 9.484 1.00 0.00 C ATOM 695 CD ARG A 42 -13.115 5.911 8.942 1.00 0.00 C ATOM 696 NE ARG A 42 -14.015 5.378 9.979 1.00 0.00 N ATOM 697 CZ ARG A 42 -15.109 4.627 9.743 1.00 0.00 C ATOM 698 NH1 ARG A 42 -15.448 4.276 8.494 1.00 0.00 N ATOM 699 NH2 ARG A 42 -15.851 4.234 10.758 1.00 0.00 N ATOM 0 H ARG A 42 -9.700 4.231 8.578 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.592 5.522 6.733 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -9.707 6.724 8.810 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -10.981 7.569 7.954 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -11.324 5.344 10.017 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.762 7.030 10.208 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.545 6.822 8.526 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.040 5.192 8.126 1.00 0.00 H new ATOM 0 HE ARG A 42 -13.793 5.594 10.951 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.875 4.578 7.706 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -16.279 3.707 8.332 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -15.595 4.498 11.709 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -16.681 3.665 10.593 1.00 0.00 H new ATOM 713 N PHE A 43 -8.327 5.587 6.456 1.00 0.00 N ATOM 714 CA PHE A 43 -7.179 5.916 5.608 1.00 0.00 C ATOM 715 C PHE A 43 -6.103 4.844 5.778 1.00 0.00 C ATOM 716 O PHE A 43 -6.127 4.083 6.753 1.00 0.00 O ATOM 717 CB PHE A 43 -6.612 7.331 5.943 1.00 0.00 C ATOM 718 CG PHE A 43 -6.109 7.509 7.384 1.00 0.00 C ATOM 719 CD1 PHE A 43 -6.983 7.892 8.404 1.00 0.00 C ATOM 720 CD2 PHE A 43 -4.766 7.306 7.715 1.00 0.00 C ATOM 721 CE1 PHE A 43 -6.531 8.067 9.696 1.00 0.00 C ATOM 722 CE2 PHE A 43 -4.313 7.484 9.009 1.00 0.00 C ATOM 723 CZ PHE A 43 -5.196 7.865 9.999 1.00 0.00 C ATOM 0 H PHE A 43 -8.079 5.036 7.278 1.00 0.00 H new ATOM 0 HA PHE A 43 -7.505 5.938 4.568 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -5.791 7.547 5.259 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.389 8.071 5.752 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -8.027 8.053 8.178 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.070 7.005 6.946 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.221 8.362 10.473 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -3.271 7.325 9.245 1.00 0.00 H new ATOM 0 HZ PHE A 43 -4.845 8.006 11.011 1.00 0.00 H new ATOM 733 N VAL A 44 -5.147 4.807 4.843 1.00 0.00 N ATOM 734 CA VAL A 44 -4.059 3.824 4.858 1.00 0.00 C ATOM 735 C VAL A 44 -2.748 4.532 5.182 1.00 0.00 C ATOM 736 O VAL A 44 -2.420 5.551 4.569 1.00 0.00 O ATOM 737 CB VAL A 44 -3.930 3.068 3.489 1.00 0.00 C ATOM 738 CG1 VAL A 44 -2.826 1.991 3.560 1.00 0.00 C ATOM 739 CG2 VAL A 44 -5.278 2.450 3.081 1.00 0.00 C ATOM 0 H VAL A 44 -5.106 5.456 4.057 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.287 3.080 5.621 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.645 3.791 2.725 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.754 1.480 2.600 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.871 2.463 3.792 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.072 1.269 4.338 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.167 1.931 2.129 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.600 1.743 3.845 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.024 3.238 2.979 1.00 0.00 H new ATOM 749 N ARG A 45 -2.007 3.987 6.147 1.00 0.00 N ATOM 750 CA ARG A 45 -0.709 4.504 6.552 1.00 0.00 C ATOM 751 C ARG A 45 0.344 3.432 6.239 1.00 0.00 C ATOM 752 O ARG A 45 0.177 2.259 6.581 1.00 0.00 O ATOM 753 CB ARG A 45 -0.746 4.923 8.053 1.00 0.00 C ATOM 754 CG ARG A 45 0.452 5.787 8.535 1.00 0.00 C ATOM 755 CD ARG A 45 1.673 4.973 8.978 1.00 0.00 C ATOM 756 NE ARG A 45 1.368 4.148 10.159 1.00 0.00 N ATOM 757 CZ ARG A 45 1.539 2.824 10.260 1.00 0.00 C ATOM 758 NH1 ARG A 45 2.024 2.119 9.245 1.00 0.00 N ATOM 759 NH2 ARG A 45 1.205 2.215 11.383 1.00 0.00 N ATOM 0 H ARG A 45 -2.299 3.164 6.673 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.445 5.406 6.000 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.667 5.476 8.235 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.790 4.021 8.663 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.749 6.458 7.729 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.124 6.412 9.366 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.002 4.332 8.160 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.498 5.647 9.206 1.00 0.00 H new ATOM 0 HE ARG A 45 0.992 4.630 10.976 1.00 0.00 H new ATOM 0 HH11 ARG A 45 2.272 2.585 8.373 1.00 0.00 H new ATOM 0 HH12 ARG A 45 2.148 1.111 9.338 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.822 2.753 12.160 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.330 1.207 11.473 1.00 0.00 H new ATOM 773 N VAL A 46 1.422 3.880 5.607 1.00 0.00 N ATOM 774 CA VAL A 46 2.459 3.012 5.043 1.00 0.00 C ATOM 775 C VAL A 46 3.526 2.710 6.098 1.00 0.00 C ATOM 776 O VAL A 46 4.078 3.631 6.711 1.00 0.00 O ATOM 777 CB VAL A 46 3.127 3.683 3.787 1.00 0.00 C ATOM 778 CG1 VAL A 46 4.190 2.772 3.128 1.00 0.00 C ATOM 779 CG2 VAL A 46 2.056 4.132 2.761 1.00 0.00 C ATOM 0 H VAL A 46 1.607 4.873 5.467 1.00 0.00 H new ATOM 0 HA VAL A 46 1.989 2.080 4.730 1.00 0.00 H new ATOM 0 HB VAL A 46 3.652 4.570 4.141 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.621 3.281 2.266 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.977 2.550 3.849 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.722 1.842 2.804 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.545 4.593 1.903 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.483 3.266 2.431 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.386 4.854 3.227 1.00 0.00 H new ATOM 789 N THR A 47 3.784 1.421 6.321 1.00 0.00 N ATOM 790 CA THR A 47 4.940 0.956 7.084 1.00 0.00 C ATOM 791 C THR A 47 6.044 0.635 6.067 1.00 0.00 C ATOM 792 O THR A 47 5.770 -0.027 5.066 1.00 0.00 O ATOM 793 CB THR A 47 4.600 -0.334 7.906 1.00 0.00 C ATOM 794 OG1 THR A 47 3.402 -0.144 8.663 1.00 0.00 O ATOM 795 CG2 THR A 47 5.736 -0.739 8.859 1.00 0.00 C ATOM 0 H THR A 47 3.192 0.666 5.974 1.00 0.00 H new ATOM 0 HA THR A 47 5.250 1.723 7.793 1.00 0.00 H new ATOM 0 HB THR A 47 4.463 -1.137 7.182 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.420 -0.721 9.455 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.450 -1.638 9.405 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.641 -0.936 8.284 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.924 0.070 9.565 1.00 0.00 H new ATOM 803 N PHE A 48 7.247 1.159 6.289 1.00 0.00 N ATOM 804 CA PHE A 48 8.436 0.807 5.483 1.00 0.00 C ATOM 805 C PHE A 48 9.129 -0.437 6.053 1.00 0.00 C ATOM 806 O PHE A 48 9.154 -0.627 7.274 1.00 0.00 O ATOM 807 CB PHE A 48 9.422 1.988 5.431 1.00 0.00 C ATOM 808 CG PHE A 48 8.946 3.163 4.595 1.00 0.00 C ATOM 809 CD1 PHE A 48 8.143 4.158 5.142 1.00 0.00 C ATOM 810 CD2 PHE A 48 9.301 3.265 3.250 1.00 0.00 C ATOM 811 CE1 PHE A 48 7.713 5.215 4.372 1.00 0.00 C ATOM 812 CE2 PHE A 48 8.870 4.321 2.485 1.00 0.00 C ATOM 813 CZ PHE A 48 8.077 5.298 3.044 1.00 0.00 C ATOM 0 H PHE A 48 7.435 1.838 7.027 1.00 0.00 H new ATOM 0 HA PHE A 48 8.105 0.584 4.469 1.00 0.00 H new ATOM 0 HB2 PHE A 48 9.611 2.333 6.447 1.00 0.00 H new ATOM 0 HB3 PHE A 48 10.373 1.635 5.032 1.00 0.00 H new ATOM 0 HD1 PHE A 48 7.854 4.101 6.181 1.00 0.00 H new ATOM 0 HD2 PHE A 48 9.923 2.503 2.804 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.089 5.981 4.809 1.00 0.00 H new ATOM 0 HE2 PHE A 48 9.153 4.385 1.445 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.740 6.129 2.443 1.00 0.00 H new ATOM 823 N THR A 49 9.685 -1.282 5.158 1.00 0.00 N ATOM 824 CA THR A 49 10.367 -2.531 5.548 1.00 0.00 C ATOM 825 C THR A 49 11.744 -2.213 6.181 1.00 0.00 C ATOM 826 O THR A 49 12.407 -1.259 5.742 1.00 0.00 O ATOM 827 CB THR A 49 10.477 -3.517 4.320 1.00 0.00 C ATOM 828 OG1 THR A 49 10.862 -4.831 4.750 1.00 0.00 O ATOM 829 CG2 THR A 49 11.458 -3.033 3.241 1.00 0.00 C ATOM 0 H THR A 49 9.673 -1.117 4.151 1.00 0.00 H new ATOM 0 HA THR A 49 9.773 -3.042 6.306 1.00 0.00 H new ATOM 0 HB THR A 49 9.483 -3.546 3.874 1.00 0.00 H new ATOM 0 HG1 THR A 49 10.922 -5.425 3.973 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.487 -3.755 2.425 1.00 0.00 H new ATOM 0 HG22 THR A 49 11.130 -2.066 2.858 1.00 0.00 H new ATOM 0 HG23 THR A 49 12.454 -2.933 3.673 1.00 0.00 H new ATOM 837 N PRO A 50 12.174 -2.973 7.251 1.00 0.00 N ATOM 838 CA PRO A 50 13.409 -2.674 8.025 1.00 0.00 C ATOM 839 C PRO A 50 14.665 -2.619 7.130 1.00 0.00 C ATOM 840 O PRO A 50 14.980 -3.586 6.440 1.00 0.00 O ATOM 841 CB PRO A 50 13.485 -3.834 9.060 1.00 0.00 C ATOM 842 CG PRO A 50 12.606 -4.912 8.506 1.00 0.00 C ATOM 843 CD PRO A 50 11.493 -4.176 7.800 1.00 0.00 C ATOM 0 HA PRO A 50 13.374 -1.691 8.495 1.00 0.00 H new ATOM 0 HB2 PRO A 50 14.509 -4.186 9.183 1.00 0.00 H new ATOM 0 HB3 PRO A 50 13.139 -3.509 10.041 1.00 0.00 H new ATOM 0 HG2 PRO A 50 13.154 -5.555 7.817 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.217 -5.552 9.298 1.00 0.00 H new ATOM 0 HD2 PRO A 50 11.047 -4.782 7.011 1.00 0.00 H new ATOM 0 HD3 PRO A 50 10.690 -3.906 8.486 1.00 0.00 H new ATOM 851 N GLY A 51 15.343 -1.461 7.136 1.00 0.00 N ATOM 852 CA GLY A 51 16.499 -1.202 6.264 1.00 0.00 C ATOM 853 C GLY A 51 16.180 -0.153 5.214 1.00 0.00 C ATOM 854 O GLY A 51 17.011 0.707 4.898 1.00 0.00 O ATOM 0 H GLY A 51 15.105 -0.678 7.745 1.00 0.00 H new ATOM 0 HA2 GLY A 51 17.344 -0.869 6.867 1.00 0.00 H new ATOM 0 HA3 GLY A 51 16.802 -2.128 5.775 1.00 0.00 H new ATOM 858 N LYS A 52 14.954 -0.233 4.673 1.00 0.00 N ATOM 859 CA LYS A 52 14.415 0.753 3.721 1.00 0.00 C ATOM 860 C LYS A 52 13.557 1.810 4.446 1.00 0.00 C ATOM 861 O LYS A 52 12.984 2.692 3.802 1.00 0.00 O ATOM 862 CB LYS A 52 13.579 0.041 2.624 1.00 0.00 C ATOM 863 CG LYS A 52 14.332 -1.034 1.815 1.00 0.00 C ATOM 864 CD LYS A 52 15.560 -0.470 1.075 1.00 0.00 C ATOM 865 CE LYS A 52 16.336 -1.550 0.314 1.00 0.00 C ATOM 866 NZ LYS A 52 16.782 -2.652 1.209 1.00 0.00 N ATOM 0 H LYS A 52 14.303 -0.989 4.885 1.00 0.00 H new ATOM 0 HA LYS A 52 15.255 1.263 3.249 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.712 -0.423 3.095 1.00 0.00 H new ATOM 0 HB3 LYS A 52 13.201 0.794 1.933 1.00 0.00 H new ATOM 0 HG2 LYS A 52 14.652 -1.831 2.487 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.651 -1.482 1.091 1.00 0.00 H new ATOM 0 HD2 LYS A 52 15.236 0.300 0.375 1.00 0.00 H new ATOM 0 HD3 LYS A 52 16.224 0.011 1.794 1.00 0.00 H new ATOM 0 HE2 LYS A 52 15.707 -1.958 -0.478 1.00 0.00 H new ATOM 0 HE3 LYS A 52 17.204 -1.101 -0.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 17.481 -3.241 0.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 17.214 -2.250 2.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 15.964 -3.236 1.475 1.00 0.00 H new ATOM 880 N THR A 53 13.467 1.705 5.783 1.00 0.00 N ATOM 881 CA THR A 53 12.711 2.640 6.619 1.00 0.00 C ATOM 882 C THR A 53 13.552 3.902 6.889 1.00 0.00 C ATOM 883 O THR A 53 14.617 3.784 7.511 1.00 0.00 O ATOM 884 CB THR A 53 12.306 1.970 7.968 1.00 0.00 C ATOM 885 OG1 THR A 53 11.811 0.652 7.699 1.00 0.00 O ATOM 886 CG2 THR A 53 11.208 2.771 8.704 1.00 0.00 C ATOM 0 H THR A 53 13.922 0.962 6.313 1.00 0.00 H new ATOM 0 HA THR A 53 11.802 2.922 6.087 1.00 0.00 H new ATOM 0 HB THR A 53 13.189 1.939 8.607 1.00 0.00 H new ATOM 0 HG1 THR A 53 10.833 0.652 7.758 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.956 2.269 9.638 1.00 0.00 H new ATOM 0 HG22 THR A 53 11.573 3.776 8.919 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.320 2.834 8.075 1.00 0.00 H new ATOM 894 N PRO A 54 13.114 5.116 6.395 1.00 0.00 N ATOM 895 CA PRO A 54 13.836 6.403 6.609 1.00 0.00 C ATOM 896 C PRO A 54 14.238 6.615 8.084 1.00 0.00 C ATOM 897 O PRO A 54 13.367 6.647 8.952 1.00 0.00 O ATOM 898 CB PRO A 54 12.804 7.458 6.145 1.00 0.00 C ATOM 899 CG PRO A 54 12.008 6.753 5.092 1.00 0.00 C ATOM 900 CD PRO A 54 11.896 5.319 5.562 1.00 0.00 C ATOM 0 HA PRO A 54 14.780 6.449 6.066 1.00 0.00 H new ATOM 0 HB2 PRO A 54 12.171 7.786 6.970 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.294 8.346 5.746 1.00 0.00 H new ATOM 0 HG2 PRO A 54 11.023 7.206 4.975 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.502 6.811 4.122 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.986 5.158 6.140 1.00 0.00 H new ATOM 0 HD3 PRO A 54 11.867 4.625 4.722 1.00 0.00 H new ATOM 908 N VAL A 55 15.560 6.760 8.321 1.00 0.00 N ATOM 909 CA VAL A 55 16.198 6.697 9.665 1.00 0.00 C ATOM 910 C VAL A 55 15.554 7.654 10.704 1.00 0.00 C ATOM 911 O VAL A 55 15.479 7.328 11.896 1.00 0.00 O ATOM 912 CB VAL A 55 17.748 6.964 9.535 1.00 0.00 C ATOM 913 CG1 VAL A 55 18.036 8.377 8.978 1.00 0.00 C ATOM 914 CG2 VAL A 55 18.497 6.720 10.871 1.00 0.00 C ATOM 0 H VAL A 55 16.232 6.928 7.572 1.00 0.00 H new ATOM 0 HA VAL A 55 16.029 5.691 10.049 1.00 0.00 H new ATOM 0 HB VAL A 55 18.133 6.241 8.817 1.00 0.00 H new ATOM 0 HG11 VAL A 55 19.113 8.526 8.902 1.00 0.00 H new ATOM 0 HG12 VAL A 55 17.585 8.478 7.991 1.00 0.00 H new ATOM 0 HG13 VAL A 55 17.613 9.125 9.648 1.00 0.00 H new ATOM 0 HG21 VAL A 55 19.560 6.916 10.733 1.00 0.00 H new ATOM 0 HG22 VAL A 55 18.101 7.387 11.637 1.00 0.00 H new ATOM 0 HG23 VAL A 55 18.356 5.685 11.183 1.00 0.00 H new ATOM 924 N ASP A 56 15.064 8.807 10.221 1.00 0.00 N ATOM 925 CA ASP A 56 14.404 9.840 11.044 1.00 0.00 C ATOM 926 C ASP A 56 13.115 9.282 11.689 1.00 0.00 C ATOM 927 O ASP A 56 12.820 9.554 12.860 1.00 0.00 O ATOM 928 CB ASP A 56 14.091 11.067 10.147 1.00 0.00 C ATOM 929 CG ASP A 56 13.406 12.220 10.898 1.00 0.00 C ATOM 930 OD1 ASP A 56 12.165 12.220 10.992 1.00 0.00 O ATOM 931 OD2 ASP A 56 14.104 13.121 11.411 1.00 0.00 O ATOM 0 H ASP A 56 15.115 9.054 9.233 1.00 0.00 H new ATOM 0 HA ASP A 56 15.068 10.144 11.853 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.020 11.432 9.708 1.00 0.00 H new ATOM 0 HB3 ASP A 56 13.451 10.750 9.323 1.00 0.00 H new ATOM 936 N GLY A 57 12.376 8.481 10.902 1.00 0.00 N ATOM 937 CA GLY A 57 11.096 7.892 11.322 1.00 0.00 C ATOM 938 C GLY A 57 9.929 8.405 10.495 1.00 0.00 C ATOM 939 O GLY A 57 8.765 8.269 10.898 1.00 0.00 O ATOM 0 H GLY A 57 12.652 8.224 9.954 1.00 0.00 H new ATOM 0 HA2 GLY A 57 11.151 6.807 11.235 1.00 0.00 H new ATOM 0 HA3 GLY A 57 10.921 8.119 12.374 1.00 0.00 H new ATOM 943 N GLN A 58 10.244 9.005 9.330 1.00 0.00 N ATOM 944 CA GLN A 58 9.237 9.545 8.414 1.00 0.00 C ATOM 945 C GLN A 58 8.598 8.414 7.604 1.00 0.00 C ATOM 946 O GLN A 58 9.219 7.865 6.683 1.00 0.00 O ATOM 947 CB GLN A 58 9.861 10.600 7.460 1.00 0.00 C ATOM 948 CG GLN A 58 10.454 11.831 8.163 1.00 0.00 C ATOM 949 CD GLN A 58 11.014 12.898 7.211 1.00 0.00 C ATOM 950 OE1 GLN A 58 11.977 13.587 7.538 1.00 0.00 O ATOM 951 NE2 GLN A 58 10.387 13.079 6.049 1.00 0.00 N ATOM 0 H GLN A 58 11.203 9.125 9.004 1.00 0.00 H new ATOM 0 HA GLN A 58 8.466 10.036 9.008 1.00 0.00 H new ATOM 0 HB2 GLN A 58 10.645 10.121 6.874 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.096 10.933 6.758 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.683 12.285 8.785 1.00 0.00 H new ATOM 0 HG3 GLN A 58 11.251 11.504 8.831 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.590 12.492 5.803 1.00 0.00 H new ATOM 0 HE22 GLN A 58 10.704 13.804 5.406 1.00 0.00 H new ATOM 960 N TYR A 59 7.380 8.036 7.992 1.00 0.00 N ATOM 961 CA TYR A 59 6.517 7.187 7.172 1.00 0.00 C ATOM 962 C TYR A 59 5.820 8.059 6.120 1.00 0.00 C ATOM 963 O TYR A 59 5.979 9.286 6.097 1.00 0.00 O ATOM 964 CB TYR A 59 5.482 6.446 8.058 1.00 0.00 C ATOM 965 CG TYR A 59 6.132 5.563 9.133 1.00 0.00 C ATOM 966 CD1 TYR A 59 6.690 4.322 8.805 1.00 0.00 C ATOM 967 CD2 TYR A 59 6.203 5.972 10.470 1.00 0.00 C ATOM 968 CE1 TYR A 59 7.284 3.529 9.765 1.00 0.00 C ATOM 969 CE2 TYR A 59 6.800 5.177 11.433 1.00 0.00 C ATOM 970 CZ TYR A 59 7.337 3.957 11.077 1.00 0.00 C ATOM 971 OH TYR A 59 7.932 3.159 12.039 1.00 0.00 O ATOM 0 H TYR A 59 6.965 8.310 8.883 1.00 0.00 H new ATOM 0 HA TYR A 59 7.117 6.429 6.668 1.00 0.00 H new ATOM 0 HB2 TYR A 59 4.835 7.179 8.540 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.846 5.828 7.424 1.00 0.00 H new ATOM 0 HD1 TYR A 59 6.655 3.979 7.782 1.00 0.00 H new ATOM 0 HD2 TYR A 59 5.784 6.926 10.755 1.00 0.00 H new ATOM 0 HE1 TYR A 59 7.707 2.574 9.491 1.00 0.00 H new ATOM 0 HE2 TYR A 59 6.845 5.510 12.459 1.00 0.00 H new ATOM 0 HH TYR A 59 7.886 3.607 12.909 1.00 0.00 H new ATOM 981 N VAL A 60 5.095 7.415 5.220 1.00 0.00 N ATOM 982 CA VAL A 60 4.173 8.093 4.303 1.00 0.00 C ATOM 983 C VAL A 60 2.776 7.500 4.496 1.00 0.00 C ATOM 984 O VAL A 60 2.619 6.511 5.220 1.00 0.00 O ATOM 985 CB VAL A 60 4.647 8.012 2.802 1.00 0.00 C ATOM 986 CG1 VAL A 60 5.955 8.806 2.580 1.00 0.00 C ATOM 987 CG2 VAL A 60 4.806 6.552 2.320 1.00 0.00 C ATOM 0 H VAL A 60 5.125 6.403 5.099 1.00 0.00 H new ATOM 0 HA VAL A 60 4.154 9.157 4.540 1.00 0.00 H new ATOM 0 HB VAL A 60 3.863 8.471 2.201 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.254 8.729 1.535 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.793 9.853 2.835 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.742 8.396 3.213 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.134 6.546 1.281 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.547 6.044 2.937 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.850 6.036 2.402 1.00 0.00 H new ATOM 997 N TRP A 61 1.762 8.128 3.890 1.00 0.00 N ATOM 998 CA TRP A 61 0.368 7.677 4.006 1.00 0.00 C ATOM 999 C TRP A 61 -0.499 8.342 2.951 1.00 0.00 C ATOM 1000 O TRP A 61 -0.150 9.393 2.426 1.00 0.00 O ATOM 1001 CB TRP A 61 -0.199 7.947 5.428 1.00 0.00 C ATOM 1002 CG TRP A 61 -0.333 9.398 5.838 1.00 0.00 C ATOM 1003 CD1 TRP A 61 0.670 10.307 6.038 1.00 0.00 C ATOM 1004 CD2 TRP A 61 -1.554 10.077 6.145 1.00 0.00 C ATOM 1005 NE1 TRP A 61 0.140 11.503 6.449 1.00 0.00 N ATOM 1006 CE2 TRP A 61 -1.225 11.384 6.522 1.00 0.00 C ATOM 1007 CE3 TRP A 61 -2.897 9.695 6.135 1.00 0.00 C ATOM 1008 CZ2 TRP A 61 -2.192 12.312 6.891 1.00 0.00 C ATOM 1009 CZ3 TRP A 61 -3.857 10.616 6.503 1.00 0.00 C ATOM 1010 CH2 TRP A 61 -3.499 11.914 6.876 1.00 0.00 C ATOM 0 H TRP A 61 1.882 8.958 3.309 1.00 0.00 H new ATOM 0 HA TRP A 61 0.353 6.600 3.840 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.182 7.481 5.497 1.00 0.00 H new ATOM 0 HB3 TRP A 61 0.443 7.446 6.152 1.00 0.00 H new ATOM 0 HD1 TRP A 61 1.722 10.112 5.894 1.00 0.00 H new ATOM 0 HE1 TRP A 61 0.674 12.345 6.665 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -3.180 8.694 5.844 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -1.919 13.316 7.180 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -4.898 10.330 6.503 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -4.270 12.616 7.158 1.00 0.00 H new ATOM 1021 N PHE A 62 -1.638 7.724 2.652 1.00 0.00 N ATOM 1022 CA PHE A 62 -2.568 8.224 1.642 1.00 0.00 C ATOM 1023 C PHE A 62 -4.012 7.936 2.061 1.00 0.00 C ATOM 1024 O PHE A 62 -4.293 6.967 2.787 1.00 0.00 O ATOM 1025 CB PHE A 62 -2.242 7.611 0.242 1.00 0.00 C ATOM 1026 CG PHE A 62 -2.145 6.085 0.221 1.00 0.00 C ATOM 1027 CD1 PHE A 62 -0.932 5.443 0.481 1.00 0.00 C ATOM 1028 CD2 PHE A 62 -3.264 5.296 -0.037 1.00 0.00 C ATOM 1029 CE1 PHE A 62 -0.843 4.067 0.481 1.00 0.00 C ATOM 1030 CE2 PHE A 62 -3.172 3.921 -0.032 1.00 0.00 C ATOM 1031 CZ PHE A 62 -1.962 3.307 0.227 1.00 0.00 C ATOM 0 H PHE A 62 -1.943 6.862 3.103 1.00 0.00 H new ATOM 0 HA PHE A 62 -2.453 9.305 1.561 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.012 7.923 -0.464 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.298 8.027 -0.111 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.051 6.033 0.685 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -4.214 5.767 -0.243 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.103 3.586 0.680 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -4.048 3.322 -0.231 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.894 2.229 0.230 1.00 0.00 H new ATOM 1041 N ASN A 63 -4.914 8.802 1.607 1.00 0.00 N ATOM 1042 CA ASN A 63 -6.355 8.661 1.815 1.00 0.00 C ATOM 1043 C ASN A 63 -6.939 7.709 0.754 1.00 0.00 C ATOM 1044 O ASN A 63 -6.404 7.605 -0.362 1.00 0.00 O ATOM 1045 CB ASN A 63 -7.024 10.060 1.731 1.00 0.00 C ATOM 1046 CG ASN A 63 -6.434 11.099 2.706 1.00 0.00 C ATOM 1047 OD1 ASN A 63 -6.371 12.286 2.395 1.00 0.00 O ATOM 1048 ND2 ASN A 63 -6.043 10.674 3.905 1.00 0.00 N ATOM 0 H ASN A 63 -4.662 9.635 1.076 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.550 8.239 2.801 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -6.927 10.437 0.713 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -8.090 9.954 1.931 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -5.681 11.339 4.589 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.105 9.683 4.140 1.00 0.00 H new ATOM 1055 N ILE A 64 -8.028 7.010 1.109 1.00 0.00 N ATOM 1056 CA ILE A 64 -8.723 6.068 0.207 1.00 0.00 C ATOM 1057 C ILE A 64 -10.212 6.425 0.104 1.00 0.00 C ATOM 1058 O ILE A 64 -10.821 6.901 1.077 1.00 0.00 O ATOM 1059 CB ILE A 64 -8.560 4.566 0.669 1.00 0.00 C ATOM 1060 CG1 ILE A 64 -8.998 4.384 2.163 1.00 0.00 C ATOM 1061 CG2 ILE A 64 -7.105 4.079 0.439 1.00 0.00 C ATOM 1062 CD1 ILE A 64 -8.946 2.957 2.672 1.00 0.00 C ATOM 0 H ILE A 64 -8.456 7.080 2.032 1.00 0.00 H new ATOM 0 HA ILE A 64 -8.257 6.163 -0.774 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.220 3.947 0.060 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -8.358 5.003 2.792 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -10.015 4.759 2.277 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.013 3.042 0.763 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -6.861 4.151 -0.621 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -6.418 4.701 1.013 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -9.266 2.930 3.714 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -9.609 2.333 2.073 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -7.926 2.581 2.596 1.00 0.00 H new ATOM 1074 N GLY A 65 -10.772 6.230 -1.102 1.00 0.00 N ATOM 1075 CA GLY A 65 -12.200 6.396 -1.344 1.00 0.00 C ATOM 1076 C GLY A 65 -12.993 5.240 -0.751 1.00 0.00 C ATOM 1077 O GLY A 65 -13.941 5.446 0.012 1.00 0.00 O ATOM 0 H GLY A 65 -10.242 5.954 -1.929 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.539 7.336 -0.908 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.386 6.457 -2.416 1.00 0.00 H new ATOM 1081 N SER A 66 -12.594 4.013 -1.107 1.00 0.00 N ATOM 1082 CA SER A 66 -13.187 2.781 -0.582 1.00 0.00 C ATOM 1083 C SER A 66 -12.065 1.840 -0.134 1.00 0.00 C ATOM 1084 O SER A 66 -11.064 1.696 -0.846 1.00 0.00 O ATOM 1085 CB SER A 66 -14.056 2.106 -1.657 1.00 0.00 C ATOM 1086 OG SER A 66 -15.026 3.006 -2.182 1.00 0.00 O ATOM 0 H SER A 66 -11.842 3.848 -1.775 1.00 0.00 H new ATOM 0 HA SER A 66 -13.825 3.017 0.270 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.421 1.742 -2.464 1.00 0.00 H new ATOM 0 HB3 SER A 66 -14.557 1.238 -1.229 1.00 0.00 H new ATOM 0 HG SER A 66 -15.561 2.549 -2.864 1.00 0.00 H new ATOM 1092 N VAL A 67 -12.238 1.229 1.049 1.00 0.00 N ATOM 1093 CA VAL A 67 -11.312 0.215 1.600 1.00 0.00 C ATOM 1094 C VAL A 67 -11.348 -1.071 0.745 1.00 0.00 C ATOM 1095 O VAL A 67 -10.314 -1.727 0.538 1.00 0.00 O ATOM 1096 CB VAL A 67 -11.658 -0.140 3.104 1.00 0.00 C ATOM 1097 CG1 VAL A 67 -10.498 -0.903 3.786 1.00 0.00 C ATOM 1098 CG2 VAL A 67 -12.038 1.118 3.910 1.00 0.00 C ATOM 0 H VAL A 67 -13.032 1.424 1.659 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.310 0.644 1.572 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.527 -0.798 3.087 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.769 -1.131 4.817 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.307 -1.831 3.247 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.600 -0.285 3.775 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -12.269 0.836 4.937 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -11.203 1.819 3.905 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.911 1.590 3.458 1.00 0.00 H new ATOM 1108 N ASP A 68 -12.558 -1.416 0.259 1.00 0.00 N ATOM 1109 CA ASP A 68 -12.779 -2.586 -0.612 1.00 0.00 C ATOM 1110 C ASP A 68 -12.098 -2.383 -1.976 1.00 0.00 C ATOM 1111 O ASP A 68 -11.379 -3.254 -2.441 1.00 0.00 O ATOM 1112 CB ASP A 68 -14.298 -2.858 -0.812 1.00 0.00 C ATOM 1113 CG ASP A 68 -15.062 -3.085 0.504 1.00 0.00 C ATOM 1114 OD1 ASP A 68 -15.440 -2.090 1.154 1.00 0.00 O ATOM 1115 OD2 ASP A 68 -15.294 -4.256 0.897 1.00 0.00 O ATOM 0 H ASP A 68 -13.409 -0.890 0.460 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.336 -3.453 -0.121 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.743 -2.015 -1.340 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.421 -3.734 -1.449 1.00 0.00 H new ATOM 1120 N THR A 69 -12.330 -1.220 -2.612 1.00 0.00 N ATOM 1121 CA THR A 69 -11.706 -0.884 -3.906 1.00 0.00 C ATOM 1122 C THR A 69 -10.165 -0.808 -3.766 1.00 0.00 C ATOM 1123 O THR A 69 -9.432 -1.224 -4.670 1.00 0.00 O ATOM 1124 CB THR A 69 -12.277 0.456 -4.476 1.00 0.00 C ATOM 1125 OG1 THR A 69 -13.715 0.401 -4.462 1.00 0.00 O ATOM 1126 CG2 THR A 69 -11.794 0.746 -5.910 1.00 0.00 C ATOM 0 H THR A 69 -12.948 -0.494 -2.249 1.00 0.00 H new ATOM 0 HA THR A 69 -11.948 -1.678 -4.612 1.00 0.00 H new ATOM 0 HB THR A 69 -11.911 1.263 -3.841 1.00 0.00 H new ATOM 0 HG1 THR A 69 -14.078 1.239 -4.817 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.221 1.688 -6.254 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.706 0.816 -5.920 1.00 0.00 H new ATOM 0 HG23 THR A 69 -12.112 -0.060 -6.571 1.00 0.00 H new ATOM 1134 N PHE A 70 -9.697 -0.304 -2.599 1.00 0.00 N ATOM 1135 CA PHE A 70 -8.267 -0.257 -2.240 1.00 0.00 C ATOM 1136 C PHE A 70 -7.614 -1.653 -2.344 1.00 0.00 C ATOM 1137 O PHE A 70 -6.647 -1.813 -3.093 1.00 0.00 O ATOM 1138 CB PHE A 70 -8.087 0.342 -0.809 1.00 0.00 C ATOM 1139 CG PHE A 70 -6.703 0.115 -0.188 1.00 0.00 C ATOM 1140 CD1 PHE A 70 -5.573 0.743 -0.706 1.00 0.00 C ATOM 1141 CD2 PHE A 70 -6.536 -0.762 0.891 1.00 0.00 C ATOM 1142 CE1 PHE A 70 -4.327 0.508 -0.164 1.00 0.00 C ATOM 1143 CE2 PHE A 70 -5.287 -0.996 1.427 1.00 0.00 C ATOM 1144 CZ PHE A 70 -4.184 -0.359 0.900 1.00 0.00 C ATOM 0 H PHE A 70 -10.308 0.082 -1.879 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.759 0.393 -2.953 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -8.279 1.414 -0.852 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.841 -0.091 -0.151 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.674 1.421 -1.541 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.397 -1.262 1.309 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.460 1.004 -0.574 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.173 -1.677 2.258 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.206 -0.539 1.321 1.00 0.00 H new ATOM 1154 N GLU A 71 -8.155 -2.647 -1.602 1.00 0.00 N ATOM 1155 CA GLU A 71 -7.562 -4.008 -1.547 1.00 0.00 C ATOM 1156 C GLU A 71 -7.614 -4.699 -2.923 1.00 0.00 C ATOM 1157 O GLU A 71 -6.705 -5.459 -3.265 1.00 0.00 O ATOM 1158 CB GLU A 71 -8.258 -4.892 -0.468 1.00 0.00 C ATOM 1159 CG GLU A 71 -9.769 -5.116 -0.696 1.00 0.00 C ATOM 1160 CD GLU A 71 -10.408 -6.166 0.220 1.00 0.00 C ATOM 1161 OE1 GLU A 71 -10.425 -7.361 -0.156 1.00 0.00 O ATOM 1162 OE2 GLU A 71 -10.926 -5.810 1.295 1.00 0.00 O ATOM 0 H GLU A 71 -8.996 -2.536 -1.036 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.516 -3.890 -1.264 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -7.761 -5.862 -0.436 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.116 -4.429 0.509 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.288 -4.168 -0.556 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.925 -5.415 -1.732 1.00 0.00 H new ATOM 1169 N ARG A 72 -8.674 -4.405 -3.710 1.00 0.00 N ATOM 1170 CA ARG A 72 -8.810 -4.921 -5.088 1.00 0.00 C ATOM 1171 C ARG A 72 -7.640 -4.438 -5.959 1.00 0.00 C ATOM 1172 O ARG A 72 -6.894 -5.245 -6.535 1.00 0.00 O ATOM 1173 CB ARG A 72 -10.140 -4.466 -5.746 1.00 0.00 C ATOM 1174 CG ARG A 72 -11.444 -4.918 -5.055 1.00 0.00 C ATOM 1175 CD ARG A 72 -11.620 -6.444 -4.948 1.00 0.00 C ATOM 1176 NE ARG A 72 -10.905 -7.024 -3.792 1.00 0.00 N ATOM 1177 CZ ARG A 72 -10.231 -8.186 -3.799 1.00 0.00 C ATOM 1178 NH1 ARG A 72 -10.156 -8.914 -4.908 1.00 0.00 N ATOM 1179 NH2 ARG A 72 -9.673 -8.626 -2.685 1.00 0.00 N ATOM 0 H ARG A 72 -9.448 -3.812 -3.412 1.00 0.00 H new ATOM 0 HA ARG A 72 -8.806 -6.009 -5.022 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.140 -3.377 -5.795 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -10.154 -4.831 -6.773 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -11.475 -4.491 -4.052 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -12.291 -4.506 -5.603 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -12.682 -6.678 -4.867 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -11.259 -6.912 -5.864 1.00 0.00 H new ATOM 0 HE ARG A 72 -10.925 -6.499 -2.918 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.612 -8.592 -5.762 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -9.642 -9.795 -4.906 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -9.755 -8.084 -1.825 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -9.160 -9.508 -2.685 1.00 0.00 H new ATOM 1193 N ASN A 73 -7.472 -3.101 -5.993 1.00 0.00 N ATOM 1194 CA ASN A 73 -6.513 -2.416 -6.873 1.00 0.00 C ATOM 1195 C ASN A 73 -5.084 -2.764 -6.468 1.00 0.00 C ATOM 1196 O ASN A 73 -4.249 -3.029 -7.323 1.00 0.00 O ATOM 1197 CB ASN A 73 -6.740 -0.871 -6.829 1.00 0.00 C ATOM 1198 CG ASN A 73 -8.042 -0.393 -7.516 1.00 0.00 C ATOM 1199 OD1 ASN A 73 -8.095 0.706 -8.056 1.00 0.00 O ATOM 1200 ND2 ASN A 73 -9.107 -1.196 -7.492 1.00 0.00 N ATOM 0 H ASN A 73 -8.005 -2.463 -5.403 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.673 -2.755 -7.897 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -6.754 -0.548 -5.788 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -5.892 -0.378 -7.304 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -9.980 -0.898 -7.927 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -9.048 -2.108 -7.039 1.00 0.00 H new ATOM 1207 N LEU A 74 -4.839 -2.778 -5.152 1.00 0.00 N ATOM 1208 CA LEU A 74 -3.533 -3.095 -4.561 1.00 0.00 C ATOM 1209 C LEU A 74 -3.031 -4.501 -4.955 1.00 0.00 C ATOM 1210 O LEU A 74 -1.926 -4.621 -5.477 1.00 0.00 O ATOM 1211 CB LEU A 74 -3.604 -2.968 -3.017 1.00 0.00 C ATOM 1212 CG LEU A 74 -2.286 -3.281 -2.244 1.00 0.00 C ATOM 1213 CD1 LEU A 74 -1.148 -2.300 -2.615 1.00 0.00 C ATOM 1214 CD2 LEU A 74 -2.532 -3.306 -0.726 1.00 0.00 C ATOM 0 H LEU A 74 -5.554 -2.566 -4.457 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.817 -2.376 -4.958 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.915 -1.953 -2.770 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.383 -3.637 -2.653 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.959 -4.275 -2.550 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.250 -2.556 -2.053 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.940 -2.371 -3.683 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.451 -1.282 -2.371 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.598 -3.526 -0.210 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.905 -2.335 -0.402 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.267 -4.075 -0.489 1.00 0.00 H new ATOM 1226 N GLU A 75 -3.842 -5.547 -4.678 1.00 0.00 N ATOM 1227 CA GLU A 75 -3.467 -6.956 -4.981 1.00 0.00 C ATOM 1228 C GLU A 75 -3.207 -7.171 -6.480 1.00 0.00 C ATOM 1229 O GLU A 75 -2.225 -7.827 -6.854 1.00 0.00 O ATOM 1230 CB GLU A 75 -4.543 -7.946 -4.492 1.00 0.00 C ATOM 1231 CG GLU A 75 -4.702 -7.994 -2.966 1.00 0.00 C ATOM 1232 CD GLU A 75 -5.715 -9.052 -2.520 1.00 0.00 C ATOM 1233 OE1 GLU A 75 -6.910 -8.734 -2.405 1.00 0.00 O ATOM 1234 OE2 GLU A 75 -5.319 -10.219 -2.303 1.00 0.00 O ATOM 0 H GLU A 75 -4.760 -5.447 -4.246 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.540 -7.151 -4.441 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.500 -7.676 -4.938 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -4.294 -8.944 -4.852 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.735 -8.204 -2.509 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.019 -7.016 -2.605 1.00 0.00 H new ATOM 1241 N THR A 76 -4.072 -6.572 -7.320 1.00 0.00 N ATOM 1242 CA THR A 76 -3.937 -6.647 -8.781 1.00 0.00 C ATOM 1243 C THR A 76 -2.578 -6.042 -9.190 1.00 0.00 C ATOM 1244 O THR A 76 -1.753 -6.696 -9.816 1.00 0.00 O ATOM 1245 CB THR A 76 -5.106 -5.888 -9.497 1.00 0.00 C ATOM 1246 OG1 THR A 76 -6.369 -6.397 -9.050 1.00 0.00 O ATOM 1247 CG2 THR A 76 -5.036 -6.021 -11.026 1.00 0.00 C ATOM 0 H THR A 76 -4.876 -6.028 -7.006 1.00 0.00 H new ATOM 0 HA THR A 76 -3.985 -7.692 -9.088 1.00 0.00 H new ATOM 0 HB THR A 76 -5.004 -4.834 -9.239 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.583 -6.016 -8.173 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.867 -5.478 -11.477 1.00 0.00 H new ATOM 0 HG22 THR A 76 -4.094 -5.606 -11.385 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.097 -7.073 -11.303 1.00 0.00 H new ATOM 1255 N LEU A 77 -2.370 -4.812 -8.711 1.00 0.00 N ATOM 1256 CA LEU A 77 -1.163 -3.997 -8.925 1.00 0.00 C ATOM 1257 C LEU A 77 0.134 -4.722 -8.526 1.00 0.00 C ATOM 1258 O LEU A 77 1.094 -4.707 -9.288 1.00 0.00 O ATOM 1259 CB LEU A 77 -1.325 -2.697 -8.120 1.00 0.00 C ATOM 1260 CG LEU A 77 -0.200 -1.640 -8.216 1.00 0.00 C ATOM 1261 CD1 LEU A 77 0.038 -1.170 -9.675 1.00 0.00 C ATOM 1262 CD2 LEU A 77 -0.545 -0.463 -7.295 1.00 0.00 C ATOM 0 H LEU A 77 -3.066 -4.334 -8.139 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.068 -3.791 -9.991 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.256 -2.224 -8.433 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.442 -2.966 -7.070 1.00 0.00 H new ATOM 0 HG LEU A 77 0.736 -2.093 -7.890 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.837 -0.428 -9.693 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.322 -2.024 -10.291 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.877 -0.727 -10.068 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.242 0.289 -7.355 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.492 -0.022 -7.607 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.631 -0.818 -6.268 1.00 0.00 H new ATOM 1274 N GLN A 78 0.145 -5.359 -7.338 1.00 0.00 N ATOM 1275 CA GLN A 78 1.320 -6.108 -6.835 1.00 0.00 C ATOM 1276 C GLN A 78 1.659 -7.278 -7.772 1.00 0.00 C ATOM 1277 O GLN A 78 2.803 -7.440 -8.175 1.00 0.00 O ATOM 1278 CB GLN A 78 1.087 -6.654 -5.404 1.00 0.00 C ATOM 1279 CG GLN A 78 0.938 -5.593 -4.293 1.00 0.00 C ATOM 1280 CD GLN A 78 0.978 -6.214 -2.896 1.00 0.00 C ATOM 1281 OE1 GLN A 78 1.662 -7.208 -2.680 1.00 0.00 O ATOM 1282 NE2 GLN A 78 0.245 -5.667 -1.948 1.00 0.00 N ATOM 0 H GLN A 78 -0.653 -5.371 -6.702 1.00 0.00 H new ATOM 0 HA GLN A 78 2.154 -5.407 -6.806 1.00 0.00 H new ATOM 0 HB2 GLN A 78 0.188 -7.271 -5.413 1.00 0.00 H new ATOM 0 HB3 GLN A 78 1.920 -7.308 -5.146 1.00 0.00 H new ATOM 0 HG2 GLN A 78 1.737 -4.857 -4.385 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -0.003 -5.060 -4.425 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -0.316 -4.840 -2.151 1.00 0.00 H new ATOM 0 HE22 GLN A 78 0.239 -6.071 -1.011 1.00 0.00 H new ATOM 1291 N GLN A 79 0.631 -8.054 -8.127 1.00 0.00 N ATOM 1292 CA GLN A 79 0.782 -9.209 -9.025 1.00 0.00 C ATOM 1293 C GLN A 79 1.127 -8.761 -10.473 1.00 0.00 C ATOM 1294 O GLN A 79 1.721 -9.533 -11.227 1.00 0.00 O ATOM 1295 CB GLN A 79 -0.468 -10.138 -8.959 1.00 0.00 C ATOM 1296 CG GLN A 79 -0.470 -11.149 -7.774 1.00 0.00 C ATOM 1297 CD GLN A 79 -0.611 -10.521 -6.381 1.00 0.00 C ATOM 1298 OE1 GLN A 79 -1.717 -10.388 -5.855 1.00 0.00 O ATOM 1299 NE2 GLN A 79 0.495 -10.105 -5.788 1.00 0.00 N ATOM 0 H GLN A 79 -0.325 -7.903 -7.804 1.00 0.00 H new ATOM 0 HA GLN A 79 1.629 -9.802 -8.679 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -1.361 -9.517 -8.890 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -0.539 -10.695 -9.893 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -1.287 -11.855 -7.921 1.00 0.00 H new ATOM 0 HG3 GLN A 79 0.457 -11.722 -7.805 1.00 0.00 H new ATOM 0 HE21 GLN A 79 1.397 -10.228 -6.247 1.00 0.00 H new ATOM 0 HE22 GLN A 79 0.446 -9.661 -4.871 1.00 0.00 H new ATOM 1308 N GLU A 80 0.786 -7.505 -10.841 1.00 0.00 N ATOM 1309 CA GLU A 80 1.254 -6.879 -12.103 1.00 0.00 C ATOM 1310 C GLU A 80 2.755 -6.546 -12.005 1.00 0.00 C ATOM 1311 O GLU A 80 3.520 -6.796 -12.942 1.00 0.00 O ATOM 1312 CB GLU A 80 0.442 -5.588 -12.424 1.00 0.00 C ATOM 1313 CG GLU A 80 -1.048 -5.808 -12.765 1.00 0.00 C ATOM 1314 CD GLU A 80 -1.280 -6.708 -13.998 1.00 0.00 C ATOM 1315 OE1 GLU A 80 -0.927 -6.292 -15.123 1.00 0.00 O ATOM 1316 OE2 GLU A 80 -1.810 -7.833 -13.849 1.00 0.00 O ATOM 0 H GLU A 80 0.185 -6.901 -10.280 1.00 0.00 H new ATOM 0 HA GLU A 80 1.096 -7.591 -12.913 1.00 0.00 H new ATOM 0 HB2 GLU A 80 0.506 -4.917 -11.567 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.918 -5.080 -13.263 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.546 -6.253 -11.904 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.518 -4.840 -12.940 1.00 0.00 H new ATOM 1323 N LEU A 81 3.161 -5.998 -10.848 1.00 0.00 N ATOM 1324 CA LEU A 81 4.563 -5.623 -10.559 1.00 0.00 C ATOM 1325 C LEU A 81 5.437 -6.878 -10.295 1.00 0.00 C ATOM 1326 O LEU A 81 6.671 -6.796 -10.311 1.00 0.00 O ATOM 1327 CB LEU A 81 4.614 -4.673 -9.321 1.00 0.00 C ATOM 1328 CG LEU A 81 3.889 -3.290 -9.454 1.00 0.00 C ATOM 1329 CD1 LEU A 81 3.886 -2.520 -8.109 1.00 0.00 C ATOM 1330 CD2 LEU A 81 4.508 -2.437 -10.580 1.00 0.00 C ATOM 0 H LEU A 81 2.523 -5.799 -10.077 1.00 0.00 H new ATOM 0 HA LEU A 81 4.963 -5.107 -11.432 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.182 -5.201 -8.471 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.661 -4.485 -9.081 1.00 0.00 H new ATOM 0 HG LEU A 81 2.852 -3.491 -9.722 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.375 -1.566 -8.237 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.368 -3.110 -7.353 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.913 -2.342 -7.789 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.982 -1.484 -10.646 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.561 -2.256 -10.363 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.419 -2.967 -11.528 1.00 0.00 H new ATOM 1342 N GLY A 82 4.776 -8.030 -10.043 1.00 0.00 N ATOM 1343 CA GLY A 82 5.451 -9.284 -9.698 1.00 0.00 C ATOM 1344 C GLY A 82 5.620 -9.474 -8.191 1.00 0.00 C ATOM 1345 O GLY A 82 6.038 -10.546 -7.757 1.00 0.00 O ATOM 0 H GLY A 82 3.759 -8.108 -10.075 1.00 0.00 H new ATOM 0 HA2 GLY A 82 4.881 -10.121 -10.103 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.431 -9.306 -10.174 1.00 0.00 H new ATOM 1349 N ILE A 83 5.268 -8.428 -7.408 1.00 0.00 N ATOM 1350 CA ILE A 83 5.384 -8.380 -5.935 1.00 0.00 C ATOM 1351 C ILE A 83 4.445 -9.423 -5.290 1.00 0.00 C ATOM 1352 O ILE A 83 3.223 -9.225 -5.221 1.00 0.00 O ATOM 1353 CB ILE A 83 5.043 -6.915 -5.429 1.00 0.00 C ATOM 1354 CG1 ILE A 83 6.111 -5.902 -5.953 1.00 0.00 C ATOM 1355 CG2 ILE A 83 4.900 -6.829 -3.887 1.00 0.00 C ATOM 1356 CD1 ILE A 83 5.843 -4.454 -5.593 1.00 0.00 C ATOM 0 H ILE A 83 4.883 -7.568 -7.798 1.00 0.00 H new ATOM 0 HA ILE A 83 6.405 -8.624 -5.641 1.00 0.00 H new ATOM 0 HB ILE A 83 4.069 -6.650 -5.840 1.00 0.00 H new ATOM 0 HG12 ILE A 83 7.086 -6.186 -5.557 1.00 0.00 H new ATOM 0 HG13 ILE A 83 6.171 -5.987 -7.038 1.00 0.00 H new ATOM 0 HG21 ILE A 83 4.667 -5.804 -3.600 1.00 0.00 H new ATOM 0 HG22 ILE A 83 4.097 -7.489 -3.559 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.835 -7.134 -3.417 1.00 0.00 H new ATOM 0 HD11 ILE A 83 6.636 -3.826 -5.999 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.885 -4.146 -6.013 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.815 -4.348 -4.509 1.00 0.00 H new ATOM 1368 N GLU A 84 5.036 -10.556 -4.873 1.00 0.00 N ATOM 1369 CA GLU A 84 4.316 -11.721 -4.319 1.00 0.00 C ATOM 1370 C GLU A 84 5.156 -12.380 -3.202 1.00 0.00 C ATOM 1371 O GLU A 84 6.341 -12.055 -3.020 1.00 0.00 O ATOM 1372 CB GLU A 84 4.004 -12.752 -5.448 1.00 0.00 C ATOM 1373 CG GLU A 84 3.012 -12.258 -6.525 1.00 0.00 C ATOM 1374 CD GLU A 84 2.827 -13.230 -7.696 1.00 0.00 C ATOM 1375 OE1 GLU A 84 2.001 -14.169 -7.588 1.00 0.00 O ATOM 1376 OE2 GLU A 84 3.498 -13.063 -8.739 1.00 0.00 O ATOM 0 H GLU A 84 6.046 -10.693 -4.911 1.00 0.00 H new ATOM 0 HA GLU A 84 3.372 -11.382 -3.892 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.939 -13.029 -5.936 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.602 -13.657 -4.992 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.043 -12.080 -6.058 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.360 -11.300 -6.913 1.00 0.00 H new ATOM 1383 N GLY A 85 4.505 -13.286 -2.452 1.00 0.00 N ATOM 1384 CA GLY A 85 5.134 -14.049 -1.375 1.00 0.00 C ATOM 1385 C GLY A 85 5.584 -13.188 -0.204 1.00 0.00 C ATOM 1386 O GLY A 85 4.770 -12.488 0.393 1.00 0.00 O ATOM 0 H GLY A 85 3.518 -13.507 -2.583 1.00 0.00 H new ATOM 0 HA2 GLY A 85 4.431 -14.800 -1.014 1.00 0.00 H new ATOM 0 HA3 GLY A 85 5.996 -14.584 -1.775 1.00 0.00 H new ATOM 1390 N GLU A 86 6.883 -13.257 0.124 1.00 0.00 N ATOM 1391 CA GLU A 86 7.504 -12.438 1.186 1.00 0.00 C ATOM 1392 C GLU A 86 7.675 -10.973 0.736 1.00 0.00 C ATOM 1393 O GLU A 86 7.709 -10.059 1.571 1.00 0.00 O ATOM 1394 CB GLU A 86 8.868 -13.048 1.594 1.00 0.00 C ATOM 1395 CG GLU A 86 8.780 -14.467 2.193 1.00 0.00 C ATOM 1396 CD GLU A 86 10.160 -15.082 2.475 1.00 0.00 C ATOM 1397 OE1 GLU A 86 10.711 -14.859 3.580 1.00 0.00 O ATOM 1398 OE2 GLU A 86 10.714 -15.769 1.584 1.00 0.00 O ATOM 0 H GLU A 86 7.539 -13.885 -0.340 1.00 0.00 H new ATOM 0 HA GLU A 86 6.842 -12.440 2.052 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.516 -13.077 0.718 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.344 -12.389 2.321 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.208 -14.430 3.120 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.233 -15.113 1.506 1.00 0.00 H new ATOM 1405 N ASN A 87 7.766 -10.763 -0.594 1.00 0.00 N ATOM 1406 CA ASN A 87 7.868 -9.416 -1.195 1.00 0.00 C ATOM 1407 C ASN A 87 6.506 -8.716 -1.171 1.00 0.00 C ATOM 1408 O ASN A 87 6.441 -7.479 -1.204 1.00 0.00 O ATOM 1409 CB ASN A 87 8.407 -9.498 -2.652 1.00 0.00 C ATOM 1410 CG ASN A 87 9.868 -9.950 -2.747 1.00 0.00 C ATOM 1411 OD1 ASN A 87 10.664 -9.729 -1.834 1.00 0.00 O ATOM 1412 ND2 ASN A 87 10.238 -10.558 -3.861 1.00 0.00 N ATOM 0 H ASN A 87 7.771 -11.519 -1.279 1.00 0.00 H new ATOM 0 HA ASN A 87 8.573 -8.832 -0.603 1.00 0.00 H new ATOM 0 HB2 ASN A 87 7.785 -10.189 -3.221 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.308 -8.519 -3.122 1.00 0.00 H new ATOM 0 HD21 ASN A 87 11.206 -10.858 -3.981 1.00 0.00 H new ATOM 0 HD22 ASN A 87 9.556 -10.727 -4.600 1.00 0.00 H new ATOM 1419 N ARG A 88 5.430 -9.528 -1.104 1.00 0.00 N ATOM 1420 CA ARG A 88 4.042 -9.053 -1.062 1.00 0.00 C ATOM 1421 C ARG A 88 3.824 -8.118 0.140 1.00 0.00 C ATOM 1422 O ARG A 88 4.344 -8.380 1.225 1.00 0.00 O ATOM 1423 CB ARG A 88 3.070 -10.258 -1.000 1.00 0.00 C ATOM 1424 CG ARG A 88 1.583 -9.887 -1.033 1.00 0.00 C ATOM 1425 CD ARG A 88 0.655 -11.103 -1.027 1.00 0.00 C ATOM 1426 NE ARG A 88 0.919 -12.018 -2.157 1.00 0.00 N ATOM 1427 CZ ARG A 88 -0.018 -12.632 -2.895 1.00 0.00 C ATOM 1428 NH1 ARG A 88 -1.320 -12.426 -2.660 1.00 0.00 N ATOM 1429 NH2 ARG A 88 0.359 -13.460 -3.856 1.00 0.00 N ATOM 0 H ARG A 88 5.508 -10.545 -1.077 1.00 0.00 H new ATOM 0 HA ARG A 88 3.839 -8.487 -1.971 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.283 -10.922 -1.838 1.00 0.00 H new ATOM 0 HB3 ARG A 88 3.269 -10.821 -0.088 1.00 0.00 H new ATOM 0 HG2 ARG A 88 1.353 -9.259 -0.172 1.00 0.00 H new ATOM 0 HG3 ARG A 88 1.384 -9.291 -1.924 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.776 -11.644 -0.089 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -0.381 -10.766 -1.070 1.00 0.00 H new ATOM 0 HE ARG A 88 1.894 -12.198 -2.396 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -1.610 -11.796 -1.912 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -2.022 -12.899 -3.229 1.00 0.00 H new ATOM 0 HH21 ARG A 88 1.351 -13.624 -4.028 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -0.342 -13.934 -4.425 1.00 0.00 H new ATOM 1443 N VAL A 89 3.097 -7.018 -0.091 1.00 0.00 N ATOM 1444 CA VAL A 89 2.767 -6.004 0.918 1.00 0.00 C ATOM 1445 C VAL A 89 1.400 -6.344 1.576 1.00 0.00 C ATOM 1446 O VAL A 89 0.348 -6.122 0.964 1.00 0.00 O ATOM 1447 CB VAL A 89 2.744 -4.578 0.237 1.00 0.00 C ATOM 1448 CG1 VAL A 89 2.268 -3.481 1.204 1.00 0.00 C ATOM 1449 CG2 VAL A 89 4.140 -4.235 -0.345 1.00 0.00 C ATOM 0 H VAL A 89 2.711 -6.803 -1.010 1.00 0.00 H new ATOM 0 HA VAL A 89 3.523 -5.996 1.703 1.00 0.00 H new ATOM 0 HB VAL A 89 2.022 -4.616 -0.579 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.269 -2.519 0.692 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.258 -3.710 1.545 1.00 0.00 H new ATOM 0 HG13 VAL A 89 2.939 -3.436 2.062 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.108 -3.250 -0.811 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.878 -4.234 0.457 1.00 0.00 H new ATOM 0 HG23 VAL A 89 4.416 -4.980 -1.091 1.00 0.00 H new ATOM 1459 N PRO A 90 1.394 -6.931 2.821 1.00 0.00 N ATOM 1460 CA PRO A 90 0.145 -7.294 3.538 1.00 0.00 C ATOM 1461 C PRO A 90 -0.655 -6.061 3.977 1.00 0.00 C ATOM 1462 O PRO A 90 -0.091 -4.991 4.182 1.00 0.00 O ATOM 1463 CB PRO A 90 0.642 -8.117 4.763 1.00 0.00 C ATOM 1464 CG PRO A 90 2.066 -8.468 4.438 1.00 0.00 C ATOM 1465 CD PRO A 90 2.581 -7.312 3.626 1.00 0.00 C ATOM 0 HA PRO A 90 -0.542 -7.853 2.903 1.00 0.00 H new ATOM 0 HB2 PRO A 90 0.578 -7.535 5.683 1.00 0.00 H new ATOM 0 HB3 PRO A 90 0.038 -9.012 4.910 1.00 0.00 H new ATOM 0 HG2 PRO A 90 2.655 -8.605 5.345 1.00 0.00 H new ATOM 0 HG3 PRO A 90 2.124 -9.400 3.876 1.00 0.00 H new ATOM 0 HD2 PRO A 90 2.923 -6.492 4.258 1.00 0.00 H new ATOM 0 HD3 PRO A 90 3.422 -7.601 2.996 1.00 0.00 H new ATOM 1473 N VAL A 91 -1.965 -6.231 4.118 1.00 0.00 N ATOM 1474 CA VAL A 91 -2.870 -5.164 4.554 1.00 0.00 C ATOM 1475 C VAL A 91 -3.316 -5.446 5.992 1.00 0.00 C ATOM 1476 O VAL A 91 -3.934 -6.483 6.254 1.00 0.00 O ATOM 1477 CB VAL A 91 -4.123 -5.051 3.612 1.00 0.00 C ATOM 1478 CG1 VAL A 91 -4.986 -3.839 3.994 1.00 0.00 C ATOM 1479 CG2 VAL A 91 -3.705 -4.981 2.133 1.00 0.00 C ATOM 0 H VAL A 91 -2.436 -7.117 3.933 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.338 -4.214 4.507 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.722 -5.952 3.746 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.847 -3.781 3.328 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.329 -3.947 5.023 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.395 -2.928 3.902 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.594 -4.903 1.507 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.072 -4.108 1.975 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.152 -5.882 1.868 1.00 0.00 H new ATOM 1489 N VAL A 92 -2.992 -4.531 6.920 1.00 0.00 N ATOM 1490 CA VAL A 92 -3.341 -4.671 8.336 1.00 0.00 C ATOM 1491 C VAL A 92 -4.474 -3.693 8.648 1.00 0.00 C ATOM 1492 O VAL A 92 -4.231 -2.503 8.848 1.00 0.00 O ATOM 1493 CB VAL A 92 -2.117 -4.393 9.284 1.00 0.00 C ATOM 1494 CG1 VAL A 92 -2.492 -4.603 10.771 1.00 0.00 C ATOM 1495 CG2 VAL A 92 -0.911 -5.260 8.888 1.00 0.00 C ATOM 0 H VAL A 92 -2.481 -3.675 6.706 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.652 -5.700 8.516 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.835 -3.347 9.164 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.623 -4.402 11.397 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.299 -3.923 11.042 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.818 -5.632 10.922 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -0.077 -5.050 9.557 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.180 -6.314 8.962 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.620 -5.032 7.863 1.00 0.00 H new ATOM 1505 N TYR A 93 -5.708 -4.197 8.646 1.00 0.00 N ATOM 1506 CA TYR A 93 -6.889 -3.399 8.953 1.00 0.00 C ATOM 1507 C TYR A 93 -6.917 -3.107 10.458 1.00 0.00 C ATOM 1508 O TYR A 93 -7.324 -3.959 11.263 1.00 0.00 O ATOM 1509 CB TYR A 93 -8.168 -4.144 8.504 1.00 0.00 C ATOM 1510 CG TYR A 93 -8.202 -4.492 7.004 1.00 0.00 C ATOM 1511 CD1 TYR A 93 -8.645 -3.566 6.058 1.00 0.00 C ATOM 1512 CD2 TYR A 93 -7.788 -5.748 6.540 1.00 0.00 C ATOM 1513 CE1 TYR A 93 -8.676 -3.881 4.712 1.00 0.00 C ATOM 1514 CE2 TYR A 93 -7.818 -6.060 5.196 1.00 0.00 C ATOM 1515 CZ TYR A 93 -8.263 -5.124 4.286 1.00 0.00 C ATOM 1516 OH TYR A 93 -8.289 -5.431 2.943 1.00 0.00 O ATOM 0 H TYR A 93 -5.914 -5.172 8.431 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.849 -2.454 8.411 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.261 -5.064 9.081 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -9.036 -3.529 8.743 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -8.969 -2.588 6.383 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.439 -6.486 7.248 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -9.024 -3.152 3.995 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -7.494 -7.033 4.858 1.00 0.00 H new ATOM 0 HH TYR A 93 -9.219 -5.486 2.638 1.00 0.00 H new ATOM 1526 N ILE A 94 -6.431 -1.915 10.824 1.00 0.00 N ATOM 1527 CA ILE A 94 -6.390 -1.452 12.213 1.00 0.00 C ATOM 1528 C ILE A 94 -7.734 -0.776 12.521 1.00 0.00 C ATOM 1529 O ILE A 94 -8.294 -0.099 11.658 1.00 0.00 O ATOM 1530 CB ILE A 94 -5.178 -0.457 12.453 1.00 0.00 C ATOM 1531 CG1 ILE A 94 -3.812 -1.152 12.109 1.00 0.00 C ATOM 1532 CG2 ILE A 94 -5.169 0.093 13.905 1.00 0.00 C ATOM 1533 CD1 ILE A 94 -2.570 -0.324 12.403 1.00 0.00 C ATOM 0 H ILE A 94 -6.053 -1.241 10.158 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.233 -2.297 12.884 1.00 0.00 H new ATOM 0 HB ILE A 94 -5.310 0.392 11.783 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.747 -2.086 12.668 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.812 -1.413 11.051 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.325 0.771 14.032 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.098 0.630 14.096 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.078 -0.736 14.607 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -1.681 -0.893 12.131 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.602 0.599 11.824 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -2.536 -0.084 13.466 1.00 0.00 H new ATOM 1545 N ALA A 95 -8.264 -1.005 13.724 1.00 0.00 N ATOM 1546 CA ALA A 95 -9.528 -0.416 14.173 1.00 0.00 C ATOM 1547 C ALA A 95 -9.404 -0.023 15.648 1.00 0.00 C ATOM 1548 O ALA A 95 -9.765 -0.791 16.545 1.00 0.00 O ATOM 1549 CB ALA A 95 -10.680 -1.399 13.921 1.00 0.00 C ATOM 0 H ALA A 95 -7.825 -1.609 14.419 1.00 0.00 H new ATOM 0 HA ALA A 95 -9.751 0.488 13.606 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -11.617 -0.955 14.257 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -10.744 -1.619 12.855 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -10.498 -2.322 14.472 1.00 0.00 H new ATOM 1555 N GLU A 96 -8.822 1.163 15.881 1.00 0.00 N ATOM 1556 CA GLU A 96 -8.617 1.715 17.229 1.00 0.00 C ATOM 1557 C GLU A 96 -9.942 2.312 17.733 1.00 0.00 C ATOM 1558 O GLU A 96 -10.206 3.505 17.558 1.00 0.00 O ATOM 1559 CB GLU A 96 -7.487 2.778 17.204 1.00 0.00 C ATOM 1560 CG GLU A 96 -6.159 2.254 16.633 1.00 0.00 C ATOM 1561 CD GLU A 96 -5.054 3.318 16.559 1.00 0.00 C ATOM 1562 OE1 GLU A 96 -5.027 4.103 15.593 1.00 0.00 O ATOM 1563 OE2 GLU A 96 -4.204 3.376 17.470 1.00 0.00 O ATOM 0 H GLU A 96 -8.479 1.769 15.136 1.00 0.00 H new ATOM 0 HA GLU A 96 -8.309 0.925 17.914 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -7.816 3.631 16.611 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -7.319 3.141 18.218 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.811 1.425 17.249 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -6.336 1.857 15.633 1.00 0.00 H new ATOM 1570 N SER A 97 -10.794 1.434 18.289 1.00 0.00 N ATOM 1571 CA SER A 97 -12.131 1.788 18.784 1.00 0.00 C ATOM 1572 C SER A 97 -12.365 1.141 20.157 1.00 0.00 C ATOM 1573 O SER A 97 -12.066 -0.047 20.351 1.00 0.00 O ATOM 1574 CB SER A 97 -13.212 1.309 17.784 1.00 0.00 C ATOM 1575 OG SER A 97 -12.917 1.735 16.462 1.00 0.00 O ATOM 0 H SER A 97 -10.569 0.446 18.408 1.00 0.00 H new ATOM 0 HA SER A 97 -12.198 2.871 18.883 1.00 0.00 H new ATOM 0 HB2 SER A 97 -13.279 0.221 17.811 1.00 0.00 H new ATOM 0 HB3 SER A 97 -14.186 1.696 18.084 1.00 0.00 H new ATOM 0 HG SER A 97 -13.615 1.417 15.852 1.00 0.00 H new ATOM 1581 N ASP A 98 -12.899 1.930 21.101 1.00 0.00 N ATOM 1582 CA ASP A 98 -13.257 1.459 22.460 1.00 0.00 C ATOM 1583 C ASP A 98 -14.458 0.494 22.406 1.00 0.00 C ATOM 1584 O ASP A 98 -14.616 -0.361 23.279 1.00 0.00 O ATOM 1585 CB ASP A 98 -13.582 2.670 23.378 1.00 0.00 C ATOM 1586 CG ASP A 98 -14.867 3.419 22.962 1.00 0.00 C ATOM 1587 OD1 ASP A 98 -14.856 4.093 21.913 1.00 0.00 O ATOM 1588 OD2 ASP A 98 -15.893 3.330 23.676 1.00 0.00 O ATOM 0 H ASP A 98 -13.098 2.919 20.949 1.00 0.00 H new ATOM 0 HA ASP A 98 -12.404 0.921 22.873 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -13.689 2.321 24.405 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -12.743 3.365 23.363 1.00 0.00 H new ATOM 1593 N GLY A 99 -15.289 0.657 21.365 1.00 0.00 N ATOM 1594 CA GLY A 99 -16.460 -0.188 21.131 1.00 0.00 C ATOM 1595 C GLY A 99 -16.888 -0.165 19.663 1.00 0.00 C ATOM 1596 O GLY A 99 -16.622 0.844 18.978 1.00 0.00 O ATOM 1597 OXT GLY A 99 -17.494 -1.139 19.184 1.00 0.00 O ATOM 0 H GLY A 99 -15.163 1.384 20.661 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.235 -1.212 21.429 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -17.285 0.152 21.756 1.00 0.00 H new TER 1601 GLY A 99