USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 667 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 10 HIS : no HD1:sc= -0.326 K(o=-0.63,f=-1.2) USER MOD Set 1.2: A 12 SER OG : rot 172:sc= -0.306 USER MOD Set 2.1: A 6 HIS : no HD1:sc= -0.198 K(o=-1.3,f=-2.1) USER MOD Set 2.2: A 7 HIS : no HD1:sc= -1.06 X(o=-1.3,f=-0.79) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 162:sc= -0.352 (180deg=-1.19) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0.0686 USER MOD Single : A 5 HIS : no HE2:sc= 0.36 K(o=0.36,f=-7.3!) USER MOD Single : A 8 HIS : no HE2:sc= -0.565 K(o=-0.57,f=-5.5!) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.08) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= -0.752 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 MET CE :methyl -126:sc= 0 (180deg=-0.147) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 78:sc= -0.287 USER MOD Single : A 27 GLN : amide:sc= -0.0403 K(o=-0.04,f=-1.1) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0.263 X(o=0.26,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -136:sc= 1.41 USER MOD Single : A 58 MET CE :methyl -165:sc= -4.61! (180deg=-5.49!) USER MOD Single : A 59 THR OG1 : rot 129:sc= -1.6! USER MOD Single : A 64 THR OG1 : rot 84:sc= 0.161 USER MOD Single : A 73 ASN : amide:sc= -0.384 X(o=-0.38,f=-0.067) USER MOD Single : A 74 ASN : amide:sc= -0.446 X(o=-0.45,f=-0.87) USER MOD Single : A 75 THR OG1 : rot -86:sc= 0.139 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -89:sc= 0.117 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -53.276 9.362 -19.008 1.00 0.00 N ATOM 2 CA MET A 1 -54.356 9.193 -20.016 1.00 0.00 C ATOM 3 C MET A 1 -54.678 7.718 -20.237 1.00 0.00 C ATOM 4 O MET A 1 -54.945 7.294 -21.362 1.00 0.00 O ATOM 5 CB MET A 1 -53.903 9.837 -21.327 1.00 0.00 C ATOM 6 CG MET A 1 -52.500 9.433 -21.752 1.00 0.00 C ATOM 7 SD MET A 1 -51.868 10.440 -23.106 1.00 0.00 S ATOM 8 CE MET A 1 -50.564 11.345 -22.274 1.00 0.00 C ATOM 0 H1 MET A 1 -52.868 10.315 -19.093 1.00 0.00 H new ATOM 0 H2 MET A 1 -53.670 9.238 -18.053 1.00 0.00 H new ATOM 0 H3 MET A 1 -52.534 8.652 -19.172 1.00 0.00 H new ATOM 0 HA MET A 1 -55.263 9.676 -19.653 1.00 0.00 H new ATOM 0 HB2 MET A 1 -54.604 9.566 -22.116 1.00 0.00 H new ATOM 0 HB3 MET A 1 -53.944 10.921 -21.222 1.00 0.00 H new ATOM 0 HG2 MET A 1 -51.828 9.516 -20.898 1.00 0.00 H new ATOM 0 HG3 MET A 1 -52.503 8.386 -22.054 1.00 0.00 H new ATOM 0 HE1 MET A 1 -50.076 12.014 -22.983 1.00 0.00 H new ATOM 0 HE2 MET A 1 -50.990 11.929 -21.458 1.00 0.00 H new ATOM 0 HE3 MET A 1 -49.832 10.643 -21.874 1.00 0.00 H new ATOM 20 N GLY A 2 -54.650 6.943 -19.158 1.00 0.00 N ATOM 21 CA GLY A 2 -54.941 5.526 -19.257 1.00 0.00 C ATOM 22 C GLY A 2 -53.986 4.800 -20.182 1.00 0.00 C ATOM 23 O GLY A 2 -54.394 3.918 -20.940 1.00 0.00 O ATOM 0 H GLY A 2 -54.431 7.271 -18.217 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -54.891 5.078 -18.265 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -55.961 5.392 -19.616 1.00 0.00 H new ATOM 27 N SER A 3 -52.712 5.171 -20.125 1.00 0.00 N ATOM 28 CA SER A 3 -51.695 4.550 -20.966 1.00 0.00 C ATOM 29 C SER A 3 -50.390 4.364 -20.197 1.00 0.00 C ATOM 30 O SER A 3 -49.303 4.497 -20.758 1.00 0.00 O ATOM 31 CB SER A 3 -51.447 5.398 -22.215 1.00 0.00 C ATOM 32 OG SER A 3 -52.346 5.053 -23.255 1.00 0.00 O ATOM 0 H SER A 3 -52.358 5.899 -19.505 1.00 0.00 H new ATOM 0 HA SER A 3 -52.061 3.569 -21.268 1.00 0.00 H new ATOM 0 HB2 SER A 3 -51.559 6.454 -21.969 1.00 0.00 H new ATOM 0 HB3 SER A 3 -50.421 5.257 -22.556 1.00 0.00 H new ATOM 0 HG SER A 3 -52.167 5.611 -24.041 1.00 0.00 H new ATOM 38 N SER A 4 -50.509 4.057 -18.910 1.00 0.00 N ATOM 39 CA SER A 4 -49.339 3.851 -18.064 1.00 0.00 C ATOM 40 C SER A 4 -48.483 2.702 -18.586 1.00 0.00 C ATOM 41 O SER A 4 -48.642 1.556 -18.168 1.00 0.00 O ATOM 42 CB SER A 4 -49.768 3.568 -16.623 1.00 0.00 C ATOM 43 OG SER A 4 -51.047 2.960 -16.583 1.00 0.00 O ATOM 0 H SER A 4 -51.402 3.945 -18.430 1.00 0.00 H new ATOM 0 HA SER A 4 -48.743 4.763 -18.086 1.00 0.00 H new ATOM 0 HB2 SER A 4 -49.037 2.917 -16.144 1.00 0.00 H new ATOM 0 HB3 SER A 4 -49.786 4.499 -16.056 1.00 0.00 H new ATOM 0 HG SER A 4 -51.298 2.787 -15.652 1.00 0.00 H new ATOM 49 N HIS A 5 -47.574 3.017 -19.503 1.00 0.00 N ATOM 50 CA HIS A 5 -46.692 2.011 -20.083 1.00 0.00 C ATOM 51 C HIS A 5 -45.308 2.068 -19.446 1.00 0.00 C ATOM 52 O HIS A 5 -44.629 1.050 -19.322 1.00 0.00 O ATOM 53 CB HIS A 5 -46.579 2.215 -21.596 1.00 0.00 C ATOM 54 CG HIS A 5 -46.069 3.569 -21.981 1.00 0.00 C ATOM 55 ND1 HIS A 5 -44.755 3.953 -21.817 1.00 0.00 N ATOM 56 CD2 HIS A 5 -46.705 4.632 -22.527 1.00 0.00 C ATOM 57 CE1 HIS A 5 -44.605 5.195 -22.244 1.00 0.00 C ATOM 58 NE2 HIS A 5 -45.773 5.628 -22.680 1.00 0.00 N ATOM 0 H HIS A 5 -47.429 3.961 -19.860 1.00 0.00 H new ATOM 0 HA HIS A 5 -47.122 1.029 -19.886 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -45.915 1.455 -22.008 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -47.559 2.062 -22.049 1.00 0.00 H new ATOM 0 HD1 HIS A 5 -44.014 3.370 -21.427 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -47.750 4.686 -22.793 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -43.684 5.759 -22.237 1.00 0.00 H new ATOM 67 N HIS A 6 -44.897 3.266 -19.041 1.00 0.00 N ATOM 68 CA HIS A 6 -43.593 3.455 -18.416 1.00 0.00 C ATOM 69 C HIS A 6 -42.471 3.044 -19.363 1.00 0.00 C ATOM 70 O HIS A 6 -42.702 2.803 -20.548 1.00 0.00 O ATOM 71 CB HIS A 6 -43.505 2.646 -17.120 1.00 0.00 C ATOM 72 CG HIS A 6 -42.825 3.378 -16.004 1.00 0.00 C ATOM 73 ND1 HIS A 6 -42.066 4.513 -16.199 1.00 0.00 N ATOM 74 CD2 HIS A 6 -42.792 3.131 -14.672 1.00 0.00 C ATOM 75 CE1 HIS A 6 -41.596 4.932 -15.038 1.00 0.00 C ATOM 76 NE2 HIS A 6 -42.022 4.111 -14.096 1.00 0.00 N ATOM 0 H HIS A 6 -45.448 4.119 -19.135 1.00 0.00 H new ATOM 0 HA HIS A 6 -43.478 4.514 -18.185 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -44.511 2.371 -16.804 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -42.968 1.718 -17.316 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -43.280 2.315 -14.159 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -40.970 5.799 -14.885 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -41.813 4.192 -13.101 1.00 0.00 H new ATOM 85 N HIS A 7 -41.254 2.966 -18.834 1.00 0.00 N ATOM 86 CA HIS A 7 -40.096 2.585 -19.633 1.00 0.00 C ATOM 87 C HIS A 7 -38.895 2.285 -18.742 1.00 0.00 C ATOM 88 O HIS A 7 -38.104 3.175 -18.427 1.00 0.00 O ATOM 89 CB HIS A 7 -39.744 3.697 -20.624 1.00 0.00 C ATOM 90 CG HIS A 7 -39.499 5.024 -19.973 1.00 0.00 C ATOM 91 ND1 HIS A 7 -38.305 5.705 -20.081 1.00 0.00 N ATOM 92 CD2 HIS A 7 -40.301 5.795 -19.203 1.00 0.00 C ATOM 93 CE1 HIS A 7 -38.384 6.837 -19.403 1.00 0.00 C ATOM 94 NE2 HIS A 7 -39.585 6.916 -18.862 1.00 0.00 N ATOM 0 H HIS A 7 -41.045 3.162 -17.855 1.00 0.00 H new ATOM 0 HA HIS A 7 -40.351 1.681 -20.187 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -38.855 3.406 -21.183 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -40.555 3.800 -21.345 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -41.316 5.570 -18.911 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -37.599 7.572 -19.308 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -39.926 7.685 -18.285 1.00 0.00 H new ATOM 103 N HIS A 8 -38.764 1.025 -18.340 1.00 0.00 N ATOM 104 CA HIS A 8 -37.658 0.607 -17.484 1.00 0.00 C ATOM 105 C HIS A 8 -36.375 0.447 -18.292 1.00 0.00 C ATOM 106 O HIS A 8 -36.408 0.041 -19.455 1.00 0.00 O ATOM 107 CB HIS A 8 -38.000 -0.707 -16.781 1.00 0.00 C ATOM 108 CG HIS A 8 -38.332 -1.822 -17.724 1.00 0.00 C ATOM 109 ND1 HIS A 8 -38.320 -1.676 -19.096 1.00 0.00 N ATOM 110 CD2 HIS A 8 -38.687 -3.107 -17.488 1.00 0.00 C ATOM 111 CE1 HIS A 8 -38.654 -2.822 -19.661 1.00 0.00 C ATOM 112 NE2 HIS A 8 -38.881 -3.707 -18.707 1.00 0.00 N ATOM 0 H HIS A 8 -39.409 0.276 -18.592 1.00 0.00 H new ATOM 0 HA HIS A 8 -37.498 1.382 -16.734 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -37.157 -1.007 -16.159 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -38.846 -0.543 -16.113 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -38.089 -0.817 -19.596 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -38.797 -3.573 -16.520 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -38.729 -3.005 -20.723 1.00 0.00 H new ATOM 121 N HIS A 9 -35.246 0.769 -17.670 1.00 0.00 N ATOM 122 CA HIS A 9 -33.951 0.661 -18.332 1.00 0.00 C ATOM 123 C HIS A 9 -33.130 -0.481 -17.738 1.00 0.00 C ATOM 124 O HIS A 9 -32.852 -1.474 -18.411 1.00 0.00 O ATOM 125 CB HIS A 9 -33.179 1.976 -18.209 1.00 0.00 C ATOM 126 CG HIS A 9 -33.982 3.179 -18.599 1.00 0.00 C ATOM 127 ND1 HIS A 9 -34.783 3.869 -17.714 1.00 0.00 N ATOM 128 CD2 HIS A 9 -34.103 3.814 -19.788 1.00 0.00 C ATOM 129 CE1 HIS A 9 -35.363 4.876 -18.344 1.00 0.00 C ATOM 130 NE2 HIS A 9 -34.966 4.866 -19.601 1.00 0.00 N ATOM 0 H HIS A 9 -35.201 1.107 -16.709 1.00 0.00 H new ATOM 0 HA HIS A 9 -34.127 0.449 -19.387 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -32.839 2.094 -17.180 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -32.288 1.925 -18.835 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -33.613 3.544 -20.712 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -36.047 5.587 -17.903 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -35.253 5.532 -20.318 1.00 0.00 H new ATOM 139 N HIS A 10 -32.747 -0.332 -16.475 1.00 0.00 N ATOM 140 CA HIS A 10 -31.958 -1.350 -15.790 1.00 0.00 C ATOM 141 C HIS A 10 -31.733 -0.972 -14.329 1.00 0.00 C ATOM 142 O HIS A 10 -30.670 -0.470 -13.965 1.00 0.00 O ATOM 143 CB HIS A 10 -30.613 -1.541 -16.494 1.00 0.00 C ATOM 144 CG HIS A 10 -29.850 -2.735 -16.010 1.00 0.00 C ATOM 145 ND1 HIS A 10 -30.456 -3.832 -15.433 1.00 0.00 N ATOM 146 CD2 HIS A 10 -28.524 -3.004 -16.023 1.00 0.00 C ATOM 147 CE1 HIS A 10 -29.534 -4.722 -15.110 1.00 0.00 C ATOM 148 NE2 HIS A 10 -28.354 -4.244 -15.459 1.00 0.00 N ATOM 0 H HIS A 10 -32.970 0.484 -15.904 1.00 0.00 H new ATOM 0 HA HIS A 10 -32.513 -2.288 -15.822 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -30.784 -1.639 -17.566 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -30.005 -0.648 -16.348 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -27.744 -2.362 -16.406 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -29.715 -5.678 -14.640 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -27.461 -4.719 -15.330 1.00 0.00 H new ATOM 157 N SER A 11 -32.741 -1.218 -13.499 1.00 0.00 N ATOM 158 CA SER A 11 -32.652 -0.906 -12.077 1.00 0.00 C ATOM 159 C SER A 11 -31.891 -1.994 -11.325 1.00 0.00 C ATOM 160 O SER A 11 -32.493 -2.894 -10.740 1.00 0.00 O ATOM 161 CB SER A 11 -34.051 -0.742 -11.481 1.00 0.00 C ATOM 162 OG SER A 11 -33.994 -0.123 -10.206 1.00 0.00 O ATOM 0 H SER A 11 -33.628 -1.632 -13.786 1.00 0.00 H new ATOM 0 HA SER A 11 -32.106 0.032 -11.971 1.00 0.00 H new ATOM 0 HB2 SER A 11 -34.667 -0.144 -12.152 1.00 0.00 H new ATOM 0 HB3 SER A 11 -34.529 -1.718 -11.394 1.00 0.00 H new ATOM 0 HG SER A 11 -34.901 -0.028 -9.847 1.00 0.00 H new ATOM 168 N SER A 12 -30.567 -1.904 -11.345 1.00 0.00 N ATOM 169 CA SER A 12 -29.723 -2.880 -10.666 1.00 0.00 C ATOM 170 C SER A 12 -29.544 -2.516 -9.195 1.00 0.00 C ATOM 171 O SER A 12 -30.101 -3.168 -8.313 1.00 0.00 O ATOM 172 CB SER A 12 -28.358 -2.971 -11.350 1.00 0.00 C ATOM 173 OG SER A 12 -28.486 -3.417 -12.690 1.00 0.00 O ATOM 0 H SER A 12 -30.054 -1.164 -11.825 1.00 0.00 H new ATOM 0 HA SER A 12 -30.216 -3.850 -10.724 1.00 0.00 H new ATOM 0 HB2 SER A 12 -27.874 -1.995 -11.333 1.00 0.00 H new ATOM 0 HB3 SER A 12 -27.715 -3.655 -10.796 1.00 0.00 H new ATOM 0 HG SER A 12 -27.619 -3.349 -13.142 1.00 0.00 H new ATOM 179 N GLY A 13 -28.764 -1.471 -8.941 1.00 0.00 N ATOM 180 CA GLY A 13 -28.527 -1.038 -7.577 1.00 0.00 C ATOM 181 C GLY A 13 -27.881 -2.118 -6.729 1.00 0.00 C ATOM 182 O GLY A 13 -28.572 -2.943 -6.134 1.00 0.00 O ATOM 0 H GLY A 13 -28.292 -0.916 -9.655 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -27.887 -0.156 -7.585 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -29.473 -0.742 -7.124 1.00 0.00 H new ATOM 186 N LEU A 14 -26.553 -2.110 -6.677 1.00 0.00 N ATOM 187 CA LEU A 14 -25.814 -3.095 -5.897 1.00 0.00 C ATOM 188 C LEU A 14 -25.250 -2.471 -4.626 1.00 0.00 C ATOM 189 O LEU A 14 -25.659 -2.816 -3.517 1.00 0.00 O ATOM 190 CB LEU A 14 -24.680 -3.692 -6.733 1.00 0.00 C ATOM 191 CG LEU A 14 -24.383 -5.168 -6.460 1.00 0.00 C ATOM 192 CD1 LEU A 14 -24.093 -5.388 -4.983 1.00 0.00 C ATOM 193 CD2 LEU A 14 -25.543 -6.038 -6.914 1.00 0.00 C ATOM 0 H LEU A 14 -25.967 -1.433 -7.165 1.00 0.00 H new ATOM 0 HA LEU A 14 -26.505 -3.889 -5.614 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -24.927 -3.576 -7.788 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -23.773 -3.115 -6.552 1.00 0.00 H new ATOM 0 HG LEU A 14 -23.498 -5.453 -7.029 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -23.884 -6.443 -4.806 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -23.228 -4.793 -4.689 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -24.959 -5.086 -4.393 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -25.314 -7.084 -6.712 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -26.445 -5.753 -6.373 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -25.703 -5.902 -7.984 1.00 0.00 H new ATOM 205 N VAL A 15 -24.306 -1.549 -4.794 1.00 0.00 N ATOM 206 CA VAL A 15 -23.685 -0.876 -3.659 1.00 0.00 C ATOM 207 C VAL A 15 -23.060 0.450 -4.082 1.00 0.00 C ATOM 208 O VAL A 15 -22.615 0.601 -5.220 1.00 0.00 O ATOM 209 CB VAL A 15 -22.601 -1.756 -3.008 1.00 0.00 C ATOM 210 CG1 VAL A 15 -23.237 -2.884 -2.210 1.00 0.00 C ATOM 211 CG2 VAL A 15 -21.656 -2.308 -4.064 1.00 0.00 C ATOM 0 H VAL A 15 -23.955 -1.252 -5.704 1.00 0.00 H new ATOM 0 HA VAL A 15 -24.475 -0.688 -2.932 1.00 0.00 H new ATOM 0 HB VAL A 15 -22.021 -1.138 -2.322 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -22.456 -3.495 -1.758 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -23.869 -2.465 -1.427 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -23.843 -3.502 -2.873 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -20.897 -2.927 -3.585 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -22.219 -2.910 -4.777 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -21.174 -1.483 -4.588 1.00 0.00 H new ATOM 221 N PRO A 16 -23.018 1.434 -3.166 1.00 0.00 N ATOM 222 CA PRO A 16 -22.443 2.753 -3.451 1.00 0.00 C ATOM 223 C PRO A 16 -21.032 2.658 -4.024 1.00 0.00 C ATOM 224 O PRO A 16 -20.780 3.089 -5.150 1.00 0.00 O ATOM 225 CB PRO A 16 -22.418 3.434 -2.081 1.00 0.00 C ATOM 226 CG PRO A 16 -23.495 2.762 -1.303 1.00 0.00 C ATOM 227 CD PRO A 16 -23.526 1.338 -1.785 1.00 0.00 C ATOM 0 HA PRO A 16 -23.019 3.295 -4.201 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -21.448 3.315 -1.598 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -22.602 4.505 -2.168 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -23.290 2.808 -0.233 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -24.456 3.250 -1.465 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -22.899 0.692 -1.170 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -24.535 0.926 -1.756 1.00 0.00 H new ATOM 235 N ARG A 17 -20.118 2.093 -3.244 1.00 0.00 N ATOM 236 CA ARG A 17 -18.733 1.942 -3.674 1.00 0.00 C ATOM 237 C ARG A 17 -18.592 0.779 -4.651 1.00 0.00 C ATOM 238 O ARG A 17 -18.427 0.984 -5.854 1.00 0.00 O ATOM 239 CB ARG A 17 -17.823 1.721 -2.465 1.00 0.00 C ATOM 240 CG ARG A 17 -17.312 3.012 -1.844 1.00 0.00 C ATOM 241 CD ARG A 17 -18.456 3.925 -1.437 1.00 0.00 C ATOM 242 NE ARG A 17 -18.924 4.746 -2.551 1.00 0.00 N ATOM 243 CZ ARG A 17 -18.200 5.708 -3.119 1.00 0.00 C ATOM 244 NH1 ARG A 17 -16.976 5.974 -2.679 1.00 0.00 N ATOM 245 NH2 ARG A 17 -18.701 6.407 -4.128 1.00 0.00 N ATOM 0 H ARG A 17 -20.311 1.732 -2.310 1.00 0.00 H new ATOM 0 HA ARG A 17 -18.434 2.859 -4.182 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -18.368 1.155 -1.709 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -16.972 1.111 -2.768 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -16.702 2.780 -0.971 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -16.668 3.529 -2.555 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -19.282 3.324 -1.058 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -18.131 4.571 -0.622 1.00 0.00 H new ATOM 0 HE ARG A 17 -19.861 4.572 -2.915 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -16.586 5.440 -1.902 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -16.426 6.712 -3.118 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -19.641 6.208 -4.469 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -18.146 7.144 -4.563 1.00 0.00 H new ATOM 259 N GLY A 18 -18.654 -0.439 -4.126 1.00 0.00 N ATOM 260 CA GLY A 18 -18.531 -1.616 -4.966 1.00 0.00 C ATOM 261 C GLY A 18 -17.928 -2.796 -4.228 1.00 0.00 C ATOM 262 O GLY A 18 -18.618 -3.772 -3.936 1.00 0.00 O ATOM 0 H GLY A 18 -18.787 -0.633 -3.134 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -19.515 -1.893 -5.344 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -17.912 -1.378 -5.831 1.00 0.00 H new ATOM 266 N SER A 19 -16.637 -2.703 -3.926 1.00 0.00 N ATOM 267 CA SER A 19 -15.940 -3.771 -3.217 1.00 0.00 C ATOM 268 C SER A 19 -14.634 -3.262 -2.615 1.00 0.00 C ATOM 269 O SER A 19 -14.399 -3.395 -1.414 1.00 0.00 O ATOM 270 CB SER A 19 -15.657 -4.940 -4.163 1.00 0.00 C ATOM 271 OG SER A 19 -16.547 -4.931 -5.266 1.00 0.00 O ATOM 0 H SER A 19 -16.053 -1.900 -4.161 1.00 0.00 H new ATOM 0 HA SER A 19 -16.583 -4.115 -2.407 1.00 0.00 H new ATOM 0 HB2 SER A 19 -14.629 -4.882 -4.521 1.00 0.00 H new ATOM 0 HB3 SER A 19 -15.753 -5.881 -3.622 1.00 0.00 H new ATOM 0 HG SER A 19 -16.344 -5.687 -5.856 1.00 0.00 H new ATOM 277 N HIS A 20 -13.788 -2.679 -3.458 1.00 0.00 N ATOM 278 CA HIS A 20 -12.506 -2.149 -3.008 1.00 0.00 C ATOM 279 C HIS A 20 -12.666 -0.742 -2.442 1.00 0.00 C ATOM 280 O HIS A 20 -13.235 0.137 -3.090 1.00 0.00 O ATOM 281 CB HIS A 20 -11.503 -2.136 -4.162 1.00 0.00 C ATOM 282 CG HIS A 20 -10.691 -3.391 -4.263 1.00 0.00 C ATOM 283 ND1 HIS A 20 -9.568 -3.627 -3.498 1.00 0.00 N ATOM 284 CD2 HIS A 20 -10.847 -4.485 -5.047 1.00 0.00 C ATOM 285 CE1 HIS A 20 -9.067 -4.809 -3.808 1.00 0.00 C ATOM 286 NE2 HIS A 20 -9.824 -5.350 -4.743 1.00 0.00 N ATOM 0 H HIS A 20 -13.967 -2.562 -4.455 1.00 0.00 H new ATOM 0 HA HIS A 20 -12.131 -2.798 -2.217 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -12.040 -1.984 -5.098 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -10.831 -1.287 -4.039 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -11.629 -4.647 -5.774 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -8.187 -5.257 -3.370 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -9.674 -6.263 -5.171 1.00 0.00 H new ATOM 295 N MET A 21 -12.159 -0.533 -1.233 1.00 0.00 N ATOM 296 CA MET A 21 -12.246 0.768 -0.580 1.00 0.00 C ATOM 297 C MET A 21 -11.056 1.644 -0.953 1.00 0.00 C ATOM 298 O MET A 21 -9.965 1.142 -1.229 1.00 0.00 O ATOM 299 CB MET A 21 -12.312 0.598 0.939 1.00 0.00 C ATOM 300 CG MET A 21 -13.462 -0.282 1.402 1.00 0.00 C ATOM 301 SD MET A 21 -13.743 -0.176 3.180 1.00 0.00 S ATOM 302 CE MET A 21 -12.383 -1.164 3.797 1.00 0.00 C ATOM 0 H MET A 21 -11.683 -1.249 -0.684 1.00 0.00 H new ATOM 0 HA MET A 21 -13.157 1.258 -0.923 1.00 0.00 H new ATOM 0 HB2 MET A 21 -11.373 0.169 1.290 1.00 0.00 H new ATOM 0 HB3 MET A 21 -12.407 1.580 1.403 1.00 0.00 H new ATOM 0 HG2 MET A 21 -14.372 0.008 0.876 1.00 0.00 H new ATOM 0 HG3 MET A 21 -13.254 -1.317 1.132 1.00 0.00 H new ATOM 0 HE1 MET A 21 -12.768 -1.944 4.454 1.00 0.00 H new ATOM 0 HE2 MET A 21 -11.857 -1.622 2.960 1.00 0.00 H new ATOM 0 HE3 MET A 21 -11.695 -0.528 4.354 1.00 0.00 H new ATOM 312 N SER A 22 -11.269 2.956 -0.960 1.00 0.00 N ATOM 313 CA SER A 22 -10.213 3.902 -1.299 1.00 0.00 C ATOM 314 C SER A 22 -9.592 4.519 -0.052 1.00 0.00 C ATOM 315 O SER A 22 -8.750 5.413 -0.139 1.00 0.00 O ATOM 316 CB SER A 22 -10.748 4.999 -2.222 1.00 0.00 C ATOM 317 OG SER A 22 -11.753 5.762 -1.576 1.00 0.00 O ATOM 0 H SER A 22 -12.165 3.388 -0.734 1.00 0.00 H new ATOM 0 HA SER A 22 -9.433 3.349 -1.823 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.931 5.652 -2.528 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.154 4.550 -3.129 1.00 0.00 H new ATOM 0 HG SER A 22 -12.078 6.458 -2.185 1.00 0.00 H new ATOM 323 N ASP A 23 -10.015 4.034 1.101 1.00 0.00 N ATOM 324 CA ASP A 23 -9.509 4.528 2.379 1.00 0.00 C ATOM 325 C ASP A 23 -8.394 3.652 2.911 1.00 0.00 C ATOM 326 O ASP A 23 -7.657 4.031 3.821 1.00 0.00 O ATOM 327 CB ASP A 23 -10.635 4.600 3.399 1.00 0.00 C ATOM 328 CG ASP A 23 -11.766 5.508 2.956 1.00 0.00 C ATOM 329 OD1 ASP A 23 -12.630 5.045 2.182 1.00 0.00 O ATOM 330 OD2 ASP A 23 -11.787 6.681 3.385 1.00 0.00 O ATOM 0 H ASP A 23 -10.712 3.294 1.184 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.106 5.527 2.210 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -11.026 3.598 3.574 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -10.238 4.958 4.349 1.00 0.00 H new ATOM 335 N GLU A 24 -8.284 2.486 2.329 1.00 0.00 N ATOM 336 CA GLU A 24 -7.260 1.521 2.716 1.00 0.00 C ATOM 337 C GLU A 24 -5.869 2.045 2.406 1.00 0.00 C ATOM 338 O GLU A 24 -4.866 1.551 2.918 1.00 0.00 O ATOM 339 CB GLU A 24 -7.488 0.185 2.013 1.00 0.00 C ATOM 340 CG GLU A 24 -8.799 -0.486 2.389 1.00 0.00 C ATOM 341 CD GLU A 24 -8.608 -1.625 3.371 1.00 0.00 C ATOM 342 OE1 GLU A 24 -7.706 -2.460 3.147 1.00 0.00 O ATOM 343 OE2 GLU A 24 -9.362 -1.682 4.365 1.00 0.00 O ATOM 0 H GLU A 24 -8.894 2.169 1.575 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.335 1.369 3.793 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.467 0.343 0.935 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.664 -0.487 2.253 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.471 0.254 2.823 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.281 -0.865 1.488 1.00 0.00 H new ATOM 350 N LYS A 25 -5.838 3.056 1.572 1.00 0.00 N ATOM 351 CA LYS A 25 -4.595 3.698 1.168 1.00 0.00 C ATOM 352 C LYS A 25 -4.272 4.873 2.087 1.00 0.00 C ATOM 353 O LYS A 25 -3.108 5.238 2.258 1.00 0.00 O ATOM 354 CB LYS A 25 -4.692 4.179 -0.281 1.00 0.00 C ATOM 355 CG LYS A 25 -3.408 4.800 -0.803 1.00 0.00 C ATOM 356 CD LYS A 25 -3.691 5.944 -1.764 1.00 0.00 C ATOM 357 CE LYS A 25 -2.697 7.080 -1.588 1.00 0.00 C ATOM 358 NZ LYS A 25 -2.970 8.208 -2.520 1.00 0.00 N ATOM 0 H LYS A 25 -6.672 3.463 1.149 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.792 2.965 1.245 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.963 3.337 -0.917 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.497 4.910 -0.359 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.813 5.166 0.034 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.814 4.038 -1.308 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.648 5.578 -2.790 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.702 6.316 -1.600 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.737 7.441 -0.560 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.687 6.707 -1.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.270 8.962 -2.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.907 7.870 -3.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.924 8.581 -2.343 1.00 0.00 H new ATOM 372 N THR A 26 -5.311 5.461 2.675 1.00 0.00 N ATOM 373 CA THR A 26 -5.136 6.596 3.574 1.00 0.00 C ATOM 374 C THR A 26 -4.441 6.163 4.857 1.00 0.00 C ATOM 375 O THR A 26 -3.721 6.944 5.474 1.00 0.00 O ATOM 376 CB THR A 26 -6.476 7.263 3.883 1.00 0.00 C ATOM 377 OG1 THR A 26 -7.554 6.462 3.436 1.00 0.00 O ATOM 378 CG2 THR A 26 -6.616 8.627 3.237 1.00 0.00 C ATOM 0 H THR A 26 -6.280 5.170 2.545 1.00 0.00 H new ATOM 0 HA THR A 26 -4.504 7.329 3.072 1.00 0.00 H new ATOM 0 HB THR A 26 -6.502 7.380 4.966 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.700 5.728 4.069 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.587 9.052 3.491 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.826 9.284 3.600 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.536 8.527 2.155 1.00 0.00 H new ATOM 386 N GLN A 27 -4.633 4.907 5.244 1.00 0.00 N ATOM 387 CA GLN A 27 -3.988 4.385 6.440 1.00 0.00 C ATOM 388 C GLN A 27 -2.472 4.492 6.293 1.00 0.00 C ATOM 389 O GLN A 27 -1.738 4.539 7.281 1.00 0.00 O ATOM 390 CB GLN A 27 -4.394 2.928 6.676 1.00 0.00 C ATOM 391 CG GLN A 27 -3.814 2.333 7.949 1.00 0.00 C ATOM 392 CD GLN A 27 -4.484 1.032 8.342 1.00 0.00 C ATOM 393 OE1 GLN A 27 -5.678 0.839 8.110 1.00 0.00 O ATOM 394 NE2 GLN A 27 -3.717 0.128 8.942 1.00 0.00 N ATOM 0 H GLN A 27 -5.225 4.238 4.751 1.00 0.00 H new ATOM 0 HA GLN A 27 -4.308 4.974 7.300 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.481 2.865 6.718 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.072 2.328 5.825 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -2.747 2.161 7.812 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.919 3.051 8.762 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -2.732 0.329 9.115 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -4.113 -0.767 9.229 1.00 0.00 H new ATOM 403 N LEU A 28 -2.018 4.536 5.041 1.00 0.00 N ATOM 404 CA LEU A 28 -0.598 4.646 4.729 1.00 0.00 C ATOM 405 C LEU A 28 -0.154 6.099 4.665 1.00 0.00 C ATOM 406 O LEU A 28 1.038 6.406 4.616 1.00 0.00 O ATOM 407 CB LEU A 28 -0.313 3.964 3.397 1.00 0.00 C ATOM 408 CG LEU A 28 1.134 3.514 3.189 1.00 0.00 C ATOM 409 CD1 LEU A 28 1.196 2.344 2.218 1.00 0.00 C ATOM 410 CD2 LEU A 28 1.984 4.672 2.688 1.00 0.00 C ATOM 0 H LEU A 28 -2.622 4.496 4.220 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.037 4.156 5.525 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.963 3.094 3.307 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.583 4.648 2.592 1.00 0.00 H new ATOM 0 HG LEU A 28 1.534 3.184 4.148 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.233 2.038 2.083 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.620 1.509 2.617 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.779 2.646 1.257 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.011 4.335 2.545 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.585 5.032 1.740 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.966 5.480 3.420 1.00 0.00 H new ATOM 422 N ILE A 29 -1.132 6.974 4.665 1.00 0.00 N ATOM 423 CA ILE A 29 -0.901 8.416 4.605 1.00 0.00 C ATOM 424 C ILE A 29 -0.220 8.932 5.851 1.00 0.00 C ATOM 425 O ILE A 29 0.297 10.048 5.896 1.00 0.00 O ATOM 426 CB ILE A 29 -2.221 9.171 4.402 1.00 0.00 C ATOM 427 CG1 ILE A 29 -2.857 8.768 3.077 1.00 0.00 C ATOM 428 CG2 ILE A 29 -2.012 10.680 4.474 1.00 0.00 C ATOM 429 CD1 ILE A 29 -2.232 9.412 1.867 1.00 0.00 C ATOM 0 H ILE A 29 -2.118 6.715 4.707 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.243 8.593 3.755 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.900 8.898 5.210 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.793 7.685 2.971 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.916 9.024 3.103 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.966 11.187 4.326 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.608 10.945 5.451 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.313 10.988 3.696 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.744 9.071 0.968 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.320 10.496 1.945 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.179 9.136 1.811 1.00 0.00 H new ATOM 441 N GLU A 30 -0.228 8.095 6.839 1.00 0.00 N ATOM 442 CA GLU A 30 0.385 8.394 8.127 1.00 0.00 C ATOM 443 C GLU A 30 1.897 8.233 8.076 1.00 0.00 C ATOM 444 O GLU A 30 2.590 8.403 9.079 1.00 0.00 O ATOM 445 CB GLU A 30 -0.212 7.520 9.232 1.00 0.00 C ATOM 446 CG GLU A 30 -1.729 7.460 9.208 1.00 0.00 C ATOM 447 CD GLU A 30 -2.274 6.201 9.858 1.00 0.00 C ATOM 448 OE1 GLU A 30 -1.625 5.142 9.733 1.00 0.00 O ATOM 449 OE2 GLU A 30 -3.348 6.278 10.489 1.00 0.00 O ATOM 0 H GLU A 30 -0.660 7.172 6.790 1.00 0.00 H new ATOM 0 HA GLU A 30 0.169 9.437 8.358 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.185 6.509 9.138 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.113 7.901 10.200 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.132 8.333 9.722 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.075 7.510 8.175 1.00 0.00 H new ATOM 456 N ALA A 31 2.388 7.908 6.901 1.00 0.00 N ATOM 457 CA ALA A 31 3.817 7.716 6.685 1.00 0.00 C ATOM 458 C ALA A 31 4.474 9.004 6.198 1.00 0.00 C ATOM 459 O ALA A 31 5.636 9.275 6.506 1.00 0.00 O ATOM 460 CB ALA A 31 4.054 6.592 5.689 1.00 0.00 C ATOM 0 H ALA A 31 1.817 7.768 6.068 1.00 0.00 H new ATOM 0 HA ALA A 31 4.271 7.443 7.638 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.125 6.460 5.538 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.625 5.667 6.075 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.581 6.842 4.739 1.00 0.00 H new ATOM 466 N PHE A 32 3.724 9.794 5.438 1.00 0.00 N ATOM 467 CA PHE A 32 4.231 11.054 4.907 1.00 0.00 C ATOM 468 C PHE A 32 4.661 11.988 6.035 1.00 0.00 C ATOM 469 O PHE A 32 5.561 12.810 5.864 1.00 0.00 O ATOM 470 CB PHE A 32 3.168 11.733 4.043 1.00 0.00 C ATOM 471 CG PHE A 32 2.747 10.915 2.856 1.00 0.00 C ATOM 472 CD1 PHE A 32 3.543 10.853 1.723 1.00 0.00 C ATOM 473 CD2 PHE A 32 1.556 10.208 2.873 1.00 0.00 C ATOM 474 CE1 PHE A 32 3.159 10.101 0.629 1.00 0.00 C ATOM 475 CE2 PHE A 32 1.166 9.455 1.782 1.00 0.00 C ATOM 476 CZ PHE A 32 1.969 9.402 0.658 1.00 0.00 C ATOM 0 H PHE A 32 2.761 9.584 5.175 1.00 0.00 H new ATOM 0 HA PHE A 32 5.103 10.834 4.291 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.293 11.944 4.657 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.552 12.692 3.695 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.474 11.399 1.695 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.925 10.246 3.749 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.789 10.060 -0.247 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.235 8.908 1.807 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.666 8.815 -0.196 1.00 0.00 H new ATOM 486 N TYR A 33 4.010 11.858 7.187 1.00 0.00 N ATOM 487 CA TYR A 33 4.326 12.691 8.341 1.00 0.00 C ATOM 488 C TYR A 33 5.261 11.962 9.300 1.00 0.00 C ATOM 489 O TYR A 33 5.153 12.106 10.519 1.00 0.00 O ATOM 490 CB TYR A 33 3.042 13.095 9.070 1.00 0.00 C ATOM 491 CG TYR A 33 1.970 13.637 8.152 1.00 0.00 C ATOM 492 CD1 TYR A 33 2.070 14.915 7.613 1.00 0.00 C ATOM 493 CD2 TYR A 33 0.857 12.872 7.826 1.00 0.00 C ATOM 494 CE1 TYR A 33 1.091 15.413 6.775 1.00 0.00 C ATOM 495 CE2 TYR A 33 -0.126 13.364 6.987 1.00 0.00 C ATOM 496 CZ TYR A 33 -0.004 14.634 6.465 1.00 0.00 C ATOM 497 OH TYR A 33 -0.980 15.128 5.630 1.00 0.00 O ATOM 0 H TYR A 33 3.261 11.184 7.346 1.00 0.00 H new ATOM 0 HA TYR A 33 4.831 13.588 7.983 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.649 12.229 9.603 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.282 13.849 9.820 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.926 15.528 7.853 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.758 11.877 8.234 1.00 0.00 H new ATOM 0 HE1 TYR A 33 1.183 16.408 6.365 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.985 12.757 6.742 1.00 0.00 H new ATOM 0 HH TYR A 33 -1.682 14.454 5.512 1.00 0.00 H new ATOM 507 N ASN A 34 6.181 11.181 8.745 1.00 0.00 N ATOM 508 CA ASN A 34 7.136 10.431 9.550 1.00 0.00 C ATOM 509 C ASN A 34 8.279 9.901 8.689 1.00 0.00 C ATOM 510 O ASN A 34 8.832 8.835 8.960 1.00 0.00 O ATOM 511 CB ASN A 34 6.436 9.269 10.259 1.00 0.00 C ATOM 512 CG ASN A 34 6.971 9.040 11.660 1.00 0.00 C ATOM 513 OD1 ASN A 34 6.205 8.926 12.617 1.00 0.00 O ATOM 514 ND2 ASN A 34 8.291 8.970 11.784 1.00 0.00 N ATOM 0 H ASN A 34 6.285 11.051 7.739 1.00 0.00 H new ATOM 0 HA ASN A 34 7.552 11.107 10.297 1.00 0.00 H new ATOM 0 HB2 ASN A 34 5.366 9.470 10.310 1.00 0.00 H new ATOM 0 HB3 ASN A 34 6.562 8.360 9.672 1.00 0.00 H new ATOM 0 HD21 ASN A 34 8.710 8.816 12.701 1.00 0.00 H new ATOM 0 HD22 ASN A 34 8.886 9.070 10.962 1.00 0.00 H new ATOM 521 N PHE A 35 8.628 10.654 7.651 1.00 0.00 N ATOM 522 CA PHE A 35 9.705 10.261 6.750 1.00 0.00 C ATOM 523 C PHE A 35 9.947 11.333 5.691 1.00 0.00 C ATOM 524 O PHE A 35 10.183 11.025 4.523 1.00 0.00 O ATOM 525 CB PHE A 35 9.374 8.927 6.077 1.00 0.00 C ATOM 526 CG PHE A 35 10.491 8.391 5.227 1.00 0.00 C ATOM 527 CD1 PHE A 35 11.785 8.328 5.719 1.00 0.00 C ATOM 528 CD2 PHE A 35 10.247 7.948 3.937 1.00 0.00 C ATOM 529 CE1 PHE A 35 12.815 7.834 4.940 1.00 0.00 C ATOM 530 CE2 PHE A 35 11.273 7.455 3.153 1.00 0.00 C ATOM 531 CZ PHE A 35 12.557 7.398 3.655 1.00 0.00 C ATOM 0 H PHE A 35 8.181 11.539 7.413 1.00 0.00 H new ATOM 0 HA PHE A 35 10.615 10.146 7.339 1.00 0.00 H new ATOM 0 HB2 PHE A 35 9.128 8.193 6.844 1.00 0.00 H new ATOM 0 HB3 PHE A 35 8.485 9.052 5.459 1.00 0.00 H new ATOM 0 HD1 PHE A 35 11.991 8.669 6.723 1.00 0.00 H new ATOM 0 HD2 PHE A 35 9.244 7.988 3.540 1.00 0.00 H new ATOM 0 HE1 PHE A 35 13.819 7.789 5.335 1.00 0.00 H new ATOM 0 HE2 PHE A 35 11.070 7.115 2.148 1.00 0.00 H new ATOM 0 HZ PHE A 35 13.360 7.013 3.044 1.00 0.00 H new ATOM 541 N ASP A 36 9.884 12.593 6.107 1.00 0.00 N ATOM 542 CA ASP A 36 10.095 13.711 5.197 1.00 0.00 C ATOM 543 C ASP A 36 11.054 14.734 5.802 1.00 0.00 C ATOM 544 O ASP A 36 10.719 15.911 5.940 1.00 0.00 O ATOM 545 CB ASP A 36 8.761 14.379 4.858 1.00 0.00 C ATOM 546 CG ASP A 36 7.990 14.789 6.097 1.00 0.00 C ATOM 547 OD1 ASP A 36 7.573 13.893 6.860 1.00 0.00 O ATOM 548 OD2 ASP A 36 7.802 16.007 6.304 1.00 0.00 O ATOM 0 H ASP A 36 9.688 12.865 7.070 1.00 0.00 H new ATOM 0 HA ASP A 36 10.541 13.322 4.281 1.00 0.00 H new ATOM 0 HB2 ASP A 36 8.944 15.258 4.240 1.00 0.00 H new ATOM 0 HB3 ASP A 36 8.154 13.694 4.266 1.00 0.00 H new ATOM 553 N GLY A 37 12.247 14.275 6.163 1.00 0.00 N ATOM 554 CA GLY A 37 13.237 15.161 6.748 1.00 0.00 C ATOM 555 C GLY A 37 14.222 15.690 5.726 1.00 0.00 C ATOM 556 O GLY A 37 15.362 16.010 6.061 1.00 0.00 O ATOM 0 H GLY A 37 12.547 13.305 6.061 1.00 0.00 H new ATOM 0 HA2 GLY A 37 12.731 15.999 7.227 1.00 0.00 H new ATOM 0 HA3 GLY A 37 13.780 14.628 7.529 1.00 0.00 H new ATOM 560 N ASP A 38 13.781 15.783 4.475 1.00 0.00 N ATOM 561 CA ASP A 38 14.634 16.276 3.400 1.00 0.00 C ATOM 562 C ASP A 38 15.864 15.390 3.229 1.00 0.00 C ATOM 563 O ASP A 38 16.989 15.808 3.508 1.00 0.00 O ATOM 564 CB ASP A 38 15.062 17.718 3.682 1.00 0.00 C ATOM 565 CG ASP A 38 15.848 18.324 2.535 1.00 0.00 C ATOM 566 OD1 ASP A 38 15.371 18.245 1.382 1.00 0.00 O ATOM 567 OD2 ASP A 38 16.937 18.877 2.788 1.00 0.00 O ATOM 0 H ASP A 38 12.839 15.524 4.182 1.00 0.00 H new ATOM 0 HA ASP A 38 14.061 16.249 2.473 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.177 18.326 3.873 1.00 0.00 H new ATOM 0 HB3 ASP A 38 15.668 17.743 4.587 1.00 0.00 H new ATOM 572 N TYR A 39 15.643 14.162 2.770 1.00 0.00 N ATOM 573 CA TYR A 39 16.733 13.215 2.562 1.00 0.00 C ATOM 574 C TYR A 39 16.765 12.731 1.116 1.00 0.00 C ATOM 575 O TYR A 39 17.597 13.168 0.323 1.00 0.00 O ATOM 576 CB TYR A 39 16.588 12.024 3.511 1.00 0.00 C ATOM 577 CG TYR A 39 16.934 12.346 4.948 1.00 0.00 C ATOM 578 CD1 TYR A 39 16.011 12.959 5.784 1.00 0.00 C ATOM 579 CD2 TYR A 39 18.185 12.038 5.466 1.00 0.00 C ATOM 580 CE1 TYR A 39 16.323 13.255 7.097 1.00 0.00 C ATOM 581 CE2 TYR A 39 18.506 12.330 6.778 1.00 0.00 C ATOM 582 CZ TYR A 39 17.572 12.938 7.589 1.00 0.00 C ATOM 583 OH TYR A 39 17.888 13.233 8.896 1.00 0.00 O ATOM 0 H TYR A 39 14.719 13.799 2.535 1.00 0.00 H new ATOM 0 HA TYR A 39 17.672 13.726 2.774 1.00 0.00 H new ATOM 0 HB2 TYR A 39 15.562 11.658 3.467 1.00 0.00 H new ATOM 0 HB3 TYR A 39 17.230 11.214 3.165 1.00 0.00 H new ATOM 0 HD1 TYR A 39 15.032 13.209 5.402 1.00 0.00 H new ATOM 0 HD2 TYR A 39 18.919 11.562 4.833 1.00 0.00 H new ATOM 0 HE1 TYR A 39 15.593 13.732 7.734 1.00 0.00 H new ATOM 0 HE2 TYR A 39 19.483 12.083 7.166 1.00 0.00 H new ATOM 0 HH TYR A 39 18.805 12.944 9.084 1.00 0.00 H new ATOM 593 N ASP A 40 15.851 11.825 0.780 1.00 0.00 N ATOM 594 CA ASP A 40 15.775 11.280 -0.571 1.00 0.00 C ATOM 595 C ASP A 40 14.615 10.299 -0.698 1.00 0.00 C ATOM 596 O ASP A 40 13.864 10.084 0.254 1.00 0.00 O ATOM 597 CB ASP A 40 17.088 10.587 -0.940 1.00 0.00 C ATOM 598 CG ASP A 40 17.526 9.584 0.109 1.00 0.00 C ATOM 599 OD1 ASP A 40 16.982 8.461 0.121 1.00 0.00 O ATOM 600 OD2 ASP A 40 18.415 9.924 0.920 1.00 0.00 O ATOM 0 H ASP A 40 15.153 11.453 1.425 1.00 0.00 H new ATOM 0 HA ASP A 40 15.604 12.107 -1.260 1.00 0.00 H new ATOM 0 HB2 ASP A 40 16.971 10.080 -1.898 1.00 0.00 H new ATOM 0 HB3 ASP A 40 17.868 11.337 -1.070 1.00 0.00 H new ATOM 605 N GLY A 41 14.476 9.704 -1.879 1.00 0.00 N ATOM 606 CA GLY A 41 13.405 8.752 -2.107 1.00 0.00 C ATOM 607 C GLY A 41 13.855 7.317 -1.910 1.00 0.00 C ATOM 608 O GLY A 41 13.106 6.491 -1.389 1.00 0.00 O ATOM 0 H GLY A 41 15.085 9.864 -2.681 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.580 8.968 -1.428 1.00 0.00 H new ATOM 0 HA3 GLY A 41 13.024 8.874 -3.121 1.00 0.00 H new ATOM 612 N PHE A 42 15.080 7.019 -2.331 1.00 0.00 N ATOM 613 CA PHE A 42 15.628 5.676 -2.199 1.00 0.00 C ATOM 614 C PHE A 42 15.722 5.268 -0.733 1.00 0.00 C ATOM 615 O PHE A 42 16.353 5.953 0.073 1.00 0.00 O ATOM 616 CB PHE A 42 17.008 5.598 -2.854 1.00 0.00 C ATOM 617 CG PHE A 42 16.969 5.717 -4.351 1.00 0.00 C ATOM 618 CD1 PHE A 42 16.362 4.737 -5.121 1.00 0.00 C ATOM 619 CD2 PHE A 42 17.540 6.806 -4.988 1.00 0.00 C ATOM 620 CE1 PHE A 42 16.325 4.843 -6.498 1.00 0.00 C ATOM 621 CE2 PHE A 42 17.507 6.918 -6.364 1.00 0.00 C ATOM 622 CZ PHE A 42 16.898 5.934 -7.121 1.00 0.00 C ATOM 0 H PHE A 42 15.712 7.691 -2.767 1.00 0.00 H new ATOM 0 HA PHE A 42 14.955 4.985 -2.706 1.00 0.00 H new ATOM 0 HB2 PHE A 42 17.638 6.391 -2.451 1.00 0.00 H new ATOM 0 HB3 PHE A 42 17.476 4.651 -2.585 1.00 0.00 H new ATOM 0 HD1 PHE A 42 15.913 3.881 -4.639 1.00 0.00 H new ATOM 0 HD2 PHE A 42 18.017 7.577 -4.401 1.00 0.00 H new ATOM 0 HE1 PHE A 42 15.848 4.073 -7.087 1.00 0.00 H new ATOM 0 HE2 PHE A 42 17.956 7.773 -6.848 1.00 0.00 H new ATOM 0 HZ PHE A 42 16.871 6.019 -8.197 1.00 0.00 H new ATOM 632 N VAL A 43 15.094 4.148 -0.396 1.00 0.00 N ATOM 633 CA VAL A 43 15.106 3.645 0.971 1.00 0.00 C ATOM 634 C VAL A 43 15.134 2.119 0.990 1.00 0.00 C ATOM 635 O VAL A 43 14.158 1.466 0.622 1.00 0.00 O ATOM 636 CB VAL A 43 13.882 4.141 1.764 1.00 0.00 C ATOM 637 CG1 VAL A 43 12.592 3.691 1.098 1.00 0.00 C ATOM 638 CG2 VAL A 43 13.942 3.661 3.207 1.00 0.00 C ATOM 0 H VAL A 43 14.569 3.570 -1.053 1.00 0.00 H new ATOM 0 HA VAL A 43 16.010 4.028 1.445 1.00 0.00 H new ATOM 0 HB VAL A 43 13.899 5.231 1.770 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.740 4.052 1.674 1.00 0.00 H new ATOM 0 HG12 VAL A 43 12.544 4.096 0.087 1.00 0.00 H new ATOM 0 HG13 VAL A 43 12.566 2.602 1.055 1.00 0.00 H new ATOM 0 HG21 VAL A 43 13.068 4.023 3.748 1.00 0.00 H new ATOM 0 HG22 VAL A 43 13.956 2.571 3.228 1.00 0.00 H new ATOM 0 HG23 VAL A 43 14.846 4.044 3.681 1.00 0.00 H new ATOM 648 N SER A 44 16.260 1.559 1.419 1.00 0.00 N ATOM 649 CA SER A 44 16.417 0.113 1.483 1.00 0.00 C ATOM 650 C SER A 44 15.474 -0.495 2.516 1.00 0.00 C ATOM 651 O SER A 44 14.981 0.196 3.407 1.00 0.00 O ATOM 652 CB SER A 44 17.864 -0.249 1.824 1.00 0.00 C ATOM 653 OG SER A 44 18.772 0.665 1.234 1.00 0.00 O ATOM 0 H SER A 44 17.077 2.086 1.727 1.00 0.00 H new ATOM 0 HA SER A 44 16.166 -0.296 0.504 1.00 0.00 H new ATOM 0 HB2 SER A 44 17.996 -0.250 2.906 1.00 0.00 H new ATOM 0 HB3 SER A 44 18.081 -1.259 1.475 1.00 0.00 H new ATOM 0 HG SER A 44 19.523 0.173 0.841 1.00 0.00 H new ATOM 659 N VAL A 45 15.233 -1.797 2.394 1.00 0.00 N ATOM 660 CA VAL A 45 14.356 -2.507 3.316 1.00 0.00 C ATOM 661 C VAL A 45 14.853 -2.368 4.751 1.00 0.00 C ATOM 662 O VAL A 45 14.123 -1.916 5.632 1.00 0.00 O ATOM 663 CB VAL A 45 14.266 -4.004 2.961 1.00 0.00 C ATOM 664 CG1 VAL A 45 13.362 -4.739 3.937 1.00 0.00 C ATOM 665 CG2 VAL A 45 13.774 -4.187 1.533 1.00 0.00 C ATOM 0 H VAL A 45 15.635 -2.383 1.662 1.00 0.00 H new ATOM 0 HA VAL A 45 13.366 -2.060 3.227 1.00 0.00 H new ATOM 0 HB VAL A 45 15.266 -4.431 3.038 1.00 0.00 H new ATOM 0 HG11 VAL A 45 13.315 -5.794 3.665 1.00 0.00 H new ATOM 0 HG12 VAL A 45 13.761 -4.642 4.947 1.00 0.00 H new ATOM 0 HG13 VAL A 45 12.361 -4.309 3.900 1.00 0.00 H new ATOM 0 HG21 VAL A 45 13.717 -5.251 1.301 1.00 0.00 H new ATOM 0 HG22 VAL A 45 12.786 -3.740 1.429 1.00 0.00 H new ATOM 0 HG23 VAL A 45 14.466 -3.702 0.845 1.00 0.00 H new ATOM 675 N GLU A 46 16.102 -2.764 4.973 1.00 0.00 N ATOM 676 CA GLU A 46 16.712 -2.693 6.297 1.00 0.00 C ATOM 677 C GLU A 46 16.462 -1.332 6.942 1.00 0.00 C ATOM 678 O GLU A 46 16.162 -1.244 8.134 1.00 0.00 O ATOM 679 CB GLU A 46 18.214 -2.961 6.202 1.00 0.00 C ATOM 680 CG GLU A 46 18.567 -4.133 5.298 1.00 0.00 C ATOM 681 CD GLU A 46 19.978 -4.638 5.521 1.00 0.00 C ATOM 682 OE1 GLU A 46 20.906 -4.120 4.862 1.00 0.00 O ATOM 683 OE2 GLU A 46 20.158 -5.551 6.354 1.00 0.00 O ATOM 0 H GLU A 46 16.715 -3.139 4.249 1.00 0.00 H new ATOM 0 HA GLU A 46 16.253 -3.458 6.923 1.00 0.00 H new ATOM 0 HB2 GLU A 46 18.712 -2.065 5.832 1.00 0.00 H new ATOM 0 HB3 GLU A 46 18.604 -3.153 7.201 1.00 0.00 H new ATOM 0 HG2 GLU A 46 17.862 -4.946 5.472 1.00 0.00 H new ATOM 0 HG3 GLU A 46 18.454 -3.831 4.257 1.00 0.00 H new ATOM 690 N GLU A 47 16.577 -0.277 6.145 1.00 0.00 N ATOM 691 CA GLU A 47 16.352 1.079 6.634 1.00 0.00 C ATOM 692 C GLU A 47 14.858 1.371 6.729 1.00 0.00 C ATOM 693 O GLU A 47 14.422 2.183 7.544 1.00 0.00 O ATOM 694 CB GLU A 47 17.028 2.095 5.712 1.00 0.00 C ATOM 695 CG GLU A 47 18.304 2.688 6.290 1.00 0.00 C ATOM 696 CD GLU A 47 18.054 3.966 7.066 1.00 0.00 C ATOM 697 OE1 GLU A 47 17.530 4.930 6.468 1.00 0.00 O ATOM 698 OE2 GLU A 47 18.381 4.003 8.270 1.00 0.00 O ATOM 0 H GLU A 47 16.825 -0.333 5.157 1.00 0.00 H new ATOM 0 HA GLU A 47 16.788 1.163 7.630 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.259 1.613 4.762 1.00 0.00 H new ATOM 0 HB3 GLU A 47 16.327 2.902 5.498 1.00 0.00 H new ATOM 0 HG2 GLU A 47 18.776 1.956 6.945 1.00 0.00 H new ATOM 0 HG3 GLU A 47 19.005 2.890 5.481 1.00 0.00 H new ATOM 705 N PHE A 48 14.078 0.696 5.889 1.00 0.00 N ATOM 706 CA PHE A 48 12.631 0.873 5.869 1.00 0.00 C ATOM 707 C PHE A 48 11.998 0.342 7.153 1.00 0.00 C ATOM 708 O PHE A 48 10.959 0.831 7.594 1.00 0.00 O ATOM 709 CB PHE A 48 12.034 0.157 4.657 1.00 0.00 C ATOM 710 CG PHE A 48 10.982 0.954 3.940 1.00 0.00 C ATOM 711 CD1 PHE A 48 10.003 1.634 4.648 1.00 0.00 C ATOM 712 CD2 PHE A 48 10.971 1.021 2.556 1.00 0.00 C ATOM 713 CE1 PHE A 48 9.035 2.368 3.988 1.00 0.00 C ATOM 714 CE2 PHE A 48 10.006 1.752 1.890 1.00 0.00 C ATOM 715 CZ PHE A 48 9.036 2.426 2.608 1.00 0.00 C ATOM 0 H PHE A 48 14.427 0.019 5.211 1.00 0.00 H new ATOM 0 HA PHE A 48 12.418 1.940 5.798 1.00 0.00 H new ATOM 0 HB2 PHE A 48 12.835 -0.083 3.957 1.00 0.00 H new ATOM 0 HB3 PHE A 48 11.601 -0.789 4.982 1.00 0.00 H new ATOM 0 HD1 PHE A 48 9.996 1.590 5.727 1.00 0.00 H new ATOM 0 HD2 PHE A 48 11.726 0.495 1.991 1.00 0.00 H new ATOM 0 HE1 PHE A 48 8.279 2.895 4.551 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.010 1.797 0.811 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.280 2.997 2.090 1.00 0.00 H new ATOM 725 N ARG A 49 12.633 -0.665 7.749 1.00 0.00 N ATOM 726 CA ARG A 49 12.129 -1.265 8.981 1.00 0.00 C ATOM 727 C ARG A 49 11.956 -0.213 10.072 1.00 0.00 C ATOM 728 O ARG A 49 10.867 -0.048 10.621 1.00 0.00 O ATOM 729 CB ARG A 49 13.080 -2.364 9.467 1.00 0.00 C ATOM 730 CG ARG A 49 13.460 -3.367 8.388 1.00 0.00 C ATOM 731 CD ARG A 49 12.232 -3.955 7.712 1.00 0.00 C ATOM 732 NE ARG A 49 11.513 -4.876 8.589 1.00 0.00 N ATOM 733 CZ ARG A 49 11.976 -6.071 8.949 1.00 0.00 C ATOM 734 NH1 ARG A 49 13.153 -6.494 8.509 1.00 0.00 N ATOM 735 NH2 ARG A 49 11.257 -6.845 9.750 1.00 0.00 N ATOM 0 H ARG A 49 13.496 -1.082 7.399 1.00 0.00 H new ATOM 0 HA ARG A 49 11.155 -1.703 8.765 1.00 0.00 H new ATOM 0 HB2 ARG A 49 13.987 -1.901 9.856 1.00 0.00 H new ATOM 0 HB3 ARG A 49 12.613 -2.896 10.296 1.00 0.00 H new ATOM 0 HG2 ARG A 49 14.088 -2.879 7.642 1.00 0.00 H new ATOM 0 HG3 ARG A 49 14.052 -4.169 8.828 1.00 0.00 H new ATOM 0 HD2 ARG A 49 11.565 -3.149 7.408 1.00 0.00 H new ATOM 0 HD3 ARG A 49 12.533 -4.479 6.805 1.00 0.00 H new ATOM 0 HE ARG A 49 10.603 -4.586 8.946 1.00 0.00 H new ATOM 0 HH11 ARG A 49 13.709 -5.903 7.891 1.00 0.00 H new ATOM 0 HH12 ARG A 49 13.502 -7.411 8.788 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.350 -6.525 10.090 1.00 0.00 H new ATOM 0 HH22 ARG A 49 11.611 -7.761 10.027 1.00 0.00 H new ATOM 749 N GLY A 50 13.037 0.497 10.381 1.00 0.00 N ATOM 750 CA GLY A 50 12.982 1.525 11.406 1.00 0.00 C ATOM 751 C GLY A 50 11.897 2.553 11.144 1.00 0.00 C ATOM 752 O GLY A 50 11.423 3.214 12.068 1.00 0.00 O ATOM 0 H GLY A 50 13.949 0.379 9.941 1.00 0.00 H new ATOM 0 HA2 GLY A 50 12.808 1.058 12.375 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.947 2.028 11.463 1.00 0.00 H new ATOM 756 N ILE A 51 11.504 2.689 9.881 1.00 0.00 N ATOM 757 CA ILE A 51 10.470 3.643 9.501 1.00 0.00 C ATOM 758 C ILE A 51 9.076 3.051 9.688 1.00 0.00 C ATOM 759 O ILE A 51 8.101 3.783 9.852 1.00 0.00 O ATOM 760 CB ILE A 51 10.631 4.091 8.036 1.00 0.00 C ATOM 761 CG1 ILE A 51 12.084 4.474 7.752 1.00 0.00 C ATOM 762 CG2 ILE A 51 9.701 5.257 7.733 1.00 0.00 C ATOM 763 CD1 ILE A 51 12.348 4.812 6.300 1.00 0.00 C ATOM 0 H ILE A 51 11.887 2.150 9.104 1.00 0.00 H new ATOM 0 HA ILE A 51 10.584 4.508 10.154 1.00 0.00 H new ATOM 0 HB ILE A 51 10.362 3.258 7.386 1.00 0.00 H new ATOM 0 HG12 ILE A 51 12.353 5.330 8.371 1.00 0.00 H new ATOM 0 HG13 ILE A 51 12.733 3.650 8.049 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.827 5.562 6.694 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.668 4.951 7.899 1.00 0.00 H new ATOM 0 HG23 ILE A 51 9.941 6.094 8.388 1.00 0.00 H new ATOM 0 HD11 ILE A 51 13.398 5.074 6.173 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.111 3.950 5.677 1.00 0.00 H new ATOM 0 HD13 ILE A 51 11.725 5.656 6.004 1.00 0.00 H new ATOM 775 N ILE A 52 8.987 1.725 9.656 1.00 0.00 N ATOM 776 CA ILE A 52 7.710 1.041 9.820 1.00 0.00 C ATOM 777 C ILE A 52 7.466 0.667 11.281 1.00 0.00 C ATOM 778 O ILE A 52 6.334 0.711 11.760 1.00 0.00 O ATOM 779 CB ILE A 52 7.643 -0.233 8.952 1.00 0.00 C ATOM 780 CG1 ILE A 52 7.784 0.129 7.472 1.00 0.00 C ATOM 781 CG2 ILE A 52 6.340 -0.984 9.194 1.00 0.00 C ATOM 782 CD1 ILE A 52 6.635 0.961 6.945 1.00 0.00 C ATOM 0 H ILE A 52 9.784 1.103 9.518 1.00 0.00 H new ATOM 0 HA ILE A 52 6.934 1.734 9.496 1.00 0.00 H new ATOM 0 HB ILE A 52 8.469 -0.886 9.234 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.716 0.676 7.326 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.858 -0.788 6.887 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.315 -1.878 8.572 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.275 -1.270 10.244 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.497 -0.341 8.940 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.799 1.182 5.890 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.703 0.408 7.059 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.574 1.894 7.506 1.00 0.00 H new ATOM 794 N ARG A 53 8.534 0.297 11.979 1.00 0.00 N ATOM 795 CA ARG A 53 8.433 -0.088 13.383 1.00 0.00 C ATOM 796 C ARG A 53 7.744 0.999 14.203 1.00 0.00 C ATOM 797 O ARG A 53 6.854 0.715 15.006 1.00 0.00 O ATOM 798 CB ARG A 53 9.822 -0.372 13.956 1.00 0.00 C ATOM 799 CG ARG A 53 9.828 -1.448 15.032 1.00 0.00 C ATOM 800 CD ARG A 53 11.037 -2.362 14.905 1.00 0.00 C ATOM 801 NE ARG A 53 12.004 -2.142 15.979 1.00 0.00 N ATOM 802 CZ ARG A 53 12.891 -1.150 15.988 1.00 0.00 C ATOM 803 NH1 ARG A 53 12.938 -0.284 14.985 1.00 0.00 N ATOM 804 NH2 ARG A 53 13.733 -1.025 17.004 1.00 0.00 N ATOM 0 H ARG A 53 9.479 0.255 11.597 1.00 0.00 H new ATOM 0 HA ARG A 53 7.830 -0.994 13.440 1.00 0.00 H new ATOM 0 HB2 ARG A 53 10.485 -0.676 13.146 1.00 0.00 H new ATOM 0 HB3 ARG A 53 10.229 0.549 14.373 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.828 -0.979 16.016 1.00 0.00 H new ATOM 0 HG3 ARG A 53 8.915 -2.039 14.961 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.709 -3.401 14.920 1.00 0.00 H new ATOM 0 HD3 ARG A 53 11.520 -2.193 13.942 1.00 0.00 H new ATOM 0 HE ARG A 53 11.999 -2.787 16.769 1.00 0.00 H new ATOM 0 HH11 ARG A 53 12.292 -0.376 14.201 1.00 0.00 H new ATOM 0 HH12 ARG A 53 13.620 0.474 14.997 1.00 0.00 H new ATOM 0 HH21 ARG A 53 13.701 -1.689 17.778 1.00 0.00 H new ATOM 0 HH22 ARG A 53 14.413 -0.265 17.012 1.00 0.00 H new ATOM 818 N ASP A 54 8.162 2.244 13.998 1.00 0.00 N ATOM 819 CA ASP A 54 7.586 3.373 14.721 1.00 0.00 C ATOM 820 C ASP A 54 6.785 4.283 13.792 1.00 0.00 C ATOM 821 O ASP A 54 6.461 5.414 14.152 1.00 0.00 O ATOM 822 CB ASP A 54 8.690 4.177 15.410 1.00 0.00 C ATOM 823 CG ASP A 54 9.356 3.404 16.532 1.00 0.00 C ATOM 824 OD1 ASP A 54 8.632 2.889 17.408 1.00 0.00 O ATOM 825 OD2 ASP A 54 10.602 3.312 16.532 1.00 0.00 O ATOM 0 H ASP A 54 8.897 2.497 13.338 1.00 0.00 H new ATOM 0 HA ASP A 54 6.905 2.973 15.472 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.441 4.462 14.673 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.268 5.100 15.809 1.00 0.00 H new ATOM 830 N GLY A 55 6.470 3.790 12.595 1.00 0.00 N ATOM 831 CA GLY A 55 5.714 4.589 11.646 1.00 0.00 C ATOM 832 C GLY A 55 4.302 4.076 11.445 1.00 0.00 C ATOM 833 O GLY A 55 3.375 4.503 12.134 1.00 0.00 O ATOM 0 H GLY A 55 6.723 2.858 12.268 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.675 5.621 11.995 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.234 4.596 10.688 1.00 0.00 H new ATOM 837 N LEU A 56 4.136 3.163 10.494 1.00 0.00 N ATOM 838 CA LEU A 56 2.825 2.596 10.199 1.00 0.00 C ATOM 839 C LEU A 56 2.667 1.219 10.842 1.00 0.00 C ATOM 840 O LEU A 56 3.585 0.400 10.802 1.00 0.00 O ATOM 841 CB LEU A 56 2.624 2.490 8.687 1.00 0.00 C ATOM 842 CG LEU A 56 3.065 3.718 7.888 1.00 0.00 C ATOM 843 CD1 LEU A 56 4.488 3.539 7.381 1.00 0.00 C ATOM 844 CD2 LEU A 56 2.113 3.971 6.728 1.00 0.00 C ATOM 0 H LEU A 56 4.893 2.800 9.914 1.00 0.00 H new ATOM 0 HA LEU A 56 2.068 3.260 10.616 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.173 1.622 8.323 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.568 2.306 8.488 1.00 0.00 H new ATOM 0 HG LEU A 56 3.040 4.585 8.548 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.786 4.421 6.815 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.162 3.406 8.227 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.537 2.661 6.737 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.443 4.848 6.171 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.106 3.104 6.068 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.108 4.142 7.113 1.00 0.00 H new ATOM 856 N PRO A 57 1.498 0.945 11.448 1.00 0.00 N ATOM 857 CA PRO A 57 1.231 -0.337 12.098 1.00 0.00 C ATOM 858 C PRO A 57 0.850 -1.426 11.104 1.00 0.00 C ATOM 859 O PRO A 57 -0.226 -2.018 11.195 1.00 0.00 O ATOM 860 CB PRO A 57 0.058 -0.013 13.020 1.00 0.00 C ATOM 861 CG PRO A 57 -0.686 1.066 12.310 1.00 0.00 C ATOM 862 CD PRO A 57 0.345 1.863 11.548 1.00 0.00 C ATOM 0 HA PRO A 57 2.107 -0.729 12.615 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.571 -0.888 13.184 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.403 0.320 13.999 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.429 0.645 11.633 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.221 1.699 13.018 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.022 2.153 10.563 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.609 2.781 12.073 1.00 0.00 H new ATOM 870 N MET A 58 1.743 -1.687 10.158 1.00 0.00 N ATOM 871 CA MET A 58 1.510 -2.709 9.150 1.00 0.00 C ATOM 872 C MET A 58 1.955 -4.076 9.660 1.00 0.00 C ATOM 873 O MET A 58 2.974 -4.191 10.342 1.00 0.00 O ATOM 874 CB MET A 58 2.261 -2.360 7.859 1.00 0.00 C ATOM 875 CG MET A 58 1.369 -2.291 6.631 1.00 0.00 C ATOM 876 SD MET A 58 2.170 -1.473 5.236 1.00 0.00 S ATOM 877 CE MET A 58 2.673 -2.884 4.250 1.00 0.00 C ATOM 0 H MET A 58 2.637 -1.203 10.069 1.00 0.00 H new ATOM 0 HA MET A 58 0.441 -2.748 8.939 1.00 0.00 H new ATOM 0 HB2 MET A 58 2.760 -1.400 7.988 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.039 -3.104 7.690 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.081 -3.301 6.339 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.452 -1.758 6.882 1.00 0.00 H new ATOM 0 HE1 MET A 58 3.402 -2.566 3.505 1.00 0.00 H new ATOM 0 HE2 MET A 58 3.121 -3.638 4.897 1.00 0.00 H new ATOM 0 HE3 MET A 58 1.802 -3.307 3.749 1.00 0.00 H new ATOM 887 N THR A 59 1.192 -5.109 9.324 1.00 0.00 N ATOM 888 CA THR A 59 1.518 -6.468 9.745 1.00 0.00 C ATOM 889 C THR A 59 2.671 -7.026 8.914 1.00 0.00 C ATOM 890 O THR A 59 2.790 -6.730 7.727 1.00 0.00 O ATOM 891 CB THR A 59 0.296 -7.380 9.618 1.00 0.00 C ATOM 892 OG1 THR A 59 -0.622 -6.862 8.670 1.00 0.00 O ATOM 893 CG2 THR A 59 -0.446 -7.571 10.925 1.00 0.00 C ATOM 0 H THR A 59 0.344 -5.033 8.762 1.00 0.00 H new ATOM 0 HA THR A 59 1.823 -6.433 10.791 1.00 0.00 H new ATOM 0 HB THR A 59 0.687 -8.346 9.298 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.862 -7.564 8.030 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.301 -8.228 10.765 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.222 -8.018 11.661 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.794 -6.605 11.290 1.00 0.00 H new ATOM 901 N GLU A 60 3.513 -7.842 9.548 1.00 0.00 N ATOM 902 CA GLU A 60 4.662 -8.451 8.873 1.00 0.00 C ATOM 903 C GLU A 60 4.302 -8.874 7.459 1.00 0.00 C ATOM 904 O GLU A 60 4.976 -8.519 6.500 1.00 0.00 O ATOM 905 CB GLU A 60 5.150 -9.671 9.657 1.00 0.00 C ATOM 906 CG GLU A 60 4.027 -10.560 10.171 1.00 0.00 C ATOM 907 CD GLU A 60 4.486 -11.503 11.266 1.00 0.00 C ATOM 908 OE1 GLU A 60 5.120 -11.028 12.232 1.00 0.00 O ATOM 909 OE2 GLU A 60 4.214 -12.718 11.157 1.00 0.00 O ATOM 0 H GLU A 60 3.421 -8.098 10.531 1.00 0.00 H new ATOM 0 HA GLU A 60 5.455 -7.705 8.825 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.806 -10.263 9.019 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.749 -9.332 10.503 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.218 -9.935 10.550 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.620 -11.141 9.343 1.00 0.00 H new ATOM 916 N ALA A 61 3.227 -9.632 7.349 1.00 0.00 N ATOM 917 CA ALA A 61 2.747 -10.112 6.063 1.00 0.00 C ATOM 918 C ALA A 61 2.716 -8.987 5.035 1.00 0.00 C ATOM 919 O ALA A 61 3.290 -9.104 3.960 1.00 0.00 O ATOM 920 CB ALA A 61 1.370 -10.729 6.222 1.00 0.00 C ATOM 0 H ALA A 61 2.663 -9.932 8.144 1.00 0.00 H new ATOM 0 HA ALA A 61 3.436 -10.875 5.700 1.00 0.00 H new ATOM 0 HB1 ALA A 61 1.017 -11.086 5.254 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.424 -11.565 6.920 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.678 -9.980 6.606 1.00 0.00 H new ATOM 926 N GLU A 62 2.050 -7.889 5.377 1.00 0.00 N ATOM 927 CA GLU A 62 1.966 -6.745 4.470 1.00 0.00 C ATOM 928 C GLU A 62 3.364 -6.294 4.068 1.00 0.00 C ATOM 929 O GLU A 62 3.725 -6.327 2.894 1.00 0.00 O ATOM 930 CB GLU A 62 1.218 -5.566 5.109 1.00 0.00 C ATOM 931 CG GLU A 62 0.261 -5.954 6.223 1.00 0.00 C ATOM 932 CD GLU A 62 -0.687 -7.067 5.820 1.00 0.00 C ATOM 933 OE1 GLU A 62 -1.496 -6.851 4.893 1.00 0.00 O ATOM 934 OE2 GLU A 62 -0.620 -8.155 6.430 1.00 0.00 O ATOM 0 H GLU A 62 1.565 -7.765 6.265 1.00 0.00 H new ATOM 0 HA GLU A 62 1.409 -7.066 3.590 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.949 -4.861 5.505 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.659 -5.044 4.333 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.834 -6.269 7.095 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.318 -5.079 6.520 1.00 0.00 H new ATOM 941 N ILE A 63 4.144 -5.880 5.060 1.00 0.00 N ATOM 942 CA ILE A 63 5.515 -5.422 4.822 1.00 0.00 C ATOM 943 C ILE A 63 6.355 -6.514 4.176 1.00 0.00 C ATOM 944 O ILE A 63 6.854 -6.354 3.066 1.00 0.00 O ATOM 945 CB ILE A 63 6.211 -4.981 6.123 1.00 0.00 C ATOM 946 CG1 ILE A 63 5.248 -4.212 7.022 1.00 0.00 C ATOM 947 CG2 ILE A 63 7.431 -4.134 5.808 1.00 0.00 C ATOM 948 CD1 ILE A 63 4.764 -5.030 8.190 1.00 0.00 C ATOM 0 H ILE A 63 3.854 -5.851 6.038 1.00 0.00 H new ATOM 0 HA ILE A 63 5.437 -4.566 4.152 1.00 0.00 H new ATOM 0 HB ILE A 63 6.533 -5.875 6.657 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.742 -3.314 7.393 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.391 -3.884 6.433 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.912 -3.830 6.737 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.132 -4.715 5.209 1.00 0.00 H new ATOM 0 HG23 ILE A 63 7.125 -3.248 5.251 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.082 -4.432 8.795 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.244 -5.915 7.824 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.616 -5.336 8.798 1.00 0.00 H new ATOM 960 N THR A 64 6.504 -7.625 4.887 1.00 0.00 N ATOM 961 CA THR A 64 7.284 -8.758 4.403 1.00 0.00 C ATOM 962 C THR A 64 6.850 -9.166 3.002 1.00 0.00 C ATOM 963 O THR A 64 7.675 -9.286 2.096 1.00 0.00 O ATOM 964 CB THR A 64 7.117 -9.941 5.349 1.00 0.00 C ATOM 965 OG1 THR A 64 7.632 -9.638 6.632 1.00 0.00 O ATOM 966 CG2 THR A 64 7.796 -11.204 4.862 1.00 0.00 C ATOM 0 H THR A 64 6.091 -7.766 5.809 1.00 0.00 H new ATOM 0 HA THR A 64 8.331 -8.457 4.366 1.00 0.00 H new ATOM 0 HB THR A 64 6.043 -10.123 5.391 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.954 -9.159 7.152 1.00 0.00 H new ATOM 0 HG21 THR A 64 7.636 -12.005 5.584 1.00 0.00 H new ATOM 0 HG22 THR A 64 7.376 -11.495 3.899 1.00 0.00 H new ATOM 0 HG23 THR A 64 8.865 -11.023 4.752 1.00 0.00 H new ATOM 974 N GLU A 65 5.548 -9.373 2.827 1.00 0.00 N ATOM 975 CA GLU A 65 5.021 -9.763 1.523 1.00 0.00 C ATOM 976 C GLU A 65 5.212 -8.645 0.523 1.00 0.00 C ATOM 977 O GLU A 65 5.119 -8.841 -0.688 1.00 0.00 O ATOM 978 CB GLU A 65 3.546 -10.141 1.614 1.00 0.00 C ATOM 979 CG GLU A 65 3.025 -10.868 0.385 1.00 0.00 C ATOM 980 CD GLU A 65 3.414 -12.334 0.366 1.00 0.00 C ATOM 981 OE1 GLU A 65 3.720 -12.880 1.446 1.00 0.00 O ATOM 982 OE2 GLU A 65 3.413 -12.933 -0.730 1.00 0.00 O ATOM 0 H GLU A 65 4.846 -9.279 3.561 1.00 0.00 H new ATOM 0 HA GLU A 65 5.575 -10.639 1.186 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.395 -10.772 2.490 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.957 -9.237 1.767 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.939 -10.784 0.351 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.411 -10.382 -0.511 1.00 0.00 H new ATOM 989 N PHE A 66 5.493 -7.482 1.056 1.00 0.00 N ATOM 990 CA PHE A 66 5.726 -6.302 0.248 1.00 0.00 C ATOM 991 C PHE A 66 7.220 -6.114 0.000 1.00 0.00 C ATOM 992 O PHE A 66 7.621 -5.514 -0.997 1.00 0.00 O ATOM 993 CB PHE A 66 5.145 -5.055 0.922 1.00 0.00 C ATOM 994 CG PHE A 66 3.694 -4.815 0.606 1.00 0.00 C ATOM 995 CD1 PHE A 66 2.833 -5.875 0.364 1.00 0.00 C ATOM 996 CD2 PHE A 66 3.190 -3.524 0.549 1.00 0.00 C ATOM 997 CE1 PHE A 66 1.499 -5.653 0.074 1.00 0.00 C ATOM 998 CE2 PHE A 66 1.858 -3.296 0.259 1.00 0.00 C ATOM 999 CZ PHE A 66 1.012 -4.361 0.021 1.00 0.00 C ATOM 0 H PHE A 66 5.568 -7.322 2.061 1.00 0.00 H new ATOM 0 HA PHE A 66 5.223 -6.443 -0.709 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.261 -5.149 2.002 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.723 -4.184 0.614 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.209 -6.887 0.402 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.847 -2.687 0.734 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.839 -6.488 -0.111 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.479 -2.285 0.219 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.029 -4.184 -0.206 1.00 0.00 H new ATOM 1009 N PHE A 67 8.038 -6.636 0.912 1.00 0.00 N ATOM 1010 CA PHE A 67 9.489 -6.528 0.789 1.00 0.00 C ATOM 1011 C PHE A 67 10.027 -7.564 -0.192 1.00 0.00 C ATOM 1012 O PHE A 67 11.052 -7.346 -0.840 1.00 0.00 O ATOM 1013 CB PHE A 67 10.152 -6.709 2.157 1.00 0.00 C ATOM 1014 CG PHE A 67 10.217 -5.454 2.990 1.00 0.00 C ATOM 1015 CD1 PHE A 67 10.292 -4.199 2.400 1.00 0.00 C ATOM 1016 CD2 PHE A 67 10.205 -5.537 4.373 1.00 0.00 C ATOM 1017 CE1 PHE A 67 10.352 -3.056 3.176 1.00 0.00 C ATOM 1018 CE2 PHE A 67 10.266 -4.397 5.152 1.00 0.00 C ATOM 1019 CZ PHE A 67 10.339 -3.156 4.553 1.00 0.00 C ATOM 0 H PHE A 67 7.721 -7.137 1.742 1.00 0.00 H new ATOM 0 HA PHE A 67 9.726 -5.535 0.408 1.00 0.00 H new ATOM 0 HB2 PHE A 67 9.607 -7.471 2.713 1.00 0.00 H new ATOM 0 HB3 PHE A 67 11.164 -7.085 2.009 1.00 0.00 H new ATOM 0 HD1 PHE A 67 10.304 -4.115 1.323 1.00 0.00 H new ATOM 0 HD2 PHE A 67 10.147 -6.505 4.848 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.409 -2.086 2.705 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.257 -4.477 6.229 1.00 0.00 H new ATOM 0 HZ PHE A 67 10.386 -2.264 5.160 1.00 0.00 H new ATOM 1029 N GLU A 68 9.328 -8.689 -0.300 1.00 0.00 N ATOM 1030 CA GLU A 68 9.737 -9.756 -1.206 1.00 0.00 C ATOM 1031 C GLU A 68 9.177 -9.525 -2.606 1.00 0.00 C ATOM 1032 O GLU A 68 9.791 -9.906 -3.602 1.00 0.00 O ATOM 1033 CB GLU A 68 9.267 -11.113 -0.675 1.00 0.00 C ATOM 1034 CG GLU A 68 9.608 -11.343 0.789 1.00 0.00 C ATOM 1035 CD GLU A 68 10.819 -12.234 0.972 1.00 0.00 C ATOM 1036 OE1 GLU A 68 11.635 -12.329 0.030 1.00 0.00 O ATOM 1037 OE2 GLU A 68 10.954 -12.839 2.057 1.00 0.00 O ATOM 0 H GLU A 68 8.477 -8.885 0.227 1.00 0.00 H new ATOM 0 HA GLU A 68 10.825 -9.752 -1.263 1.00 0.00 H new ATOM 0 HB2 GLU A 68 8.188 -11.191 -0.805 1.00 0.00 H new ATOM 0 HB3 GLU A 68 9.718 -11.904 -1.274 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.792 -10.383 1.271 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.752 -11.793 1.291 1.00 0.00 H new ATOM 1044 N ALA A 69 8.008 -8.898 -2.674 1.00 0.00 N ATOM 1045 CA ALA A 69 7.364 -8.612 -3.953 1.00 0.00 C ATOM 1046 C ALA A 69 7.937 -7.367 -4.604 1.00 0.00 C ATOM 1047 O ALA A 69 7.677 -7.074 -5.771 1.00 0.00 O ATOM 1048 CB ALA A 69 5.870 -8.462 -3.763 1.00 0.00 C ATOM 0 H ALA A 69 7.486 -8.577 -1.859 1.00 0.00 H new ATOM 0 HA ALA A 69 7.560 -9.453 -4.618 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.401 -8.249 -4.723 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.460 -9.386 -3.356 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.672 -7.642 -3.072 1.00 0.00 H new ATOM 1054 N ALA A 70 8.716 -6.652 -3.832 1.00 0.00 N ATOM 1055 CA ALA A 70 9.354 -5.424 -4.291 1.00 0.00 C ATOM 1056 C ALA A 70 10.823 -5.662 -4.624 1.00 0.00 C ATOM 1057 O ALA A 70 11.400 -4.966 -5.460 1.00 0.00 O ATOM 1058 CB ALA A 70 9.217 -4.334 -3.240 1.00 0.00 C ATOM 0 H ALA A 70 8.932 -6.897 -2.866 1.00 0.00 H new ATOM 0 HA ALA A 70 8.851 -5.099 -5.201 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.698 -3.423 -3.596 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.161 -4.138 -3.054 1.00 0.00 H new ATOM 0 HB3 ALA A 70 9.694 -4.658 -2.315 1.00 0.00 H new ATOM 1064 N ASP A 71 11.422 -6.650 -3.967 1.00 0.00 N ATOM 1065 CA ASP A 71 12.825 -6.981 -4.195 1.00 0.00 C ATOM 1066 C ASP A 71 12.974 -8.446 -4.607 1.00 0.00 C ATOM 1067 O ASP A 71 12.810 -9.348 -3.785 1.00 0.00 O ATOM 1068 CB ASP A 71 13.643 -6.710 -2.930 1.00 0.00 C ATOM 1069 CG ASP A 71 15.134 -6.849 -3.166 1.00 0.00 C ATOM 1070 OD1 ASP A 71 15.618 -6.358 -4.207 1.00 0.00 O ATOM 1071 OD2 ASP A 71 15.817 -7.450 -2.309 1.00 0.00 O ATOM 0 H ASP A 71 10.958 -7.236 -3.272 1.00 0.00 H new ATOM 0 HA ASP A 71 13.199 -6.353 -5.004 1.00 0.00 H new ATOM 0 HB2 ASP A 71 13.427 -5.704 -2.569 1.00 0.00 H new ATOM 0 HB3 ASP A 71 13.336 -7.403 -2.146 1.00 0.00 H new ATOM 1076 N PRO A 72 13.289 -8.707 -5.890 1.00 0.00 N ATOM 1077 CA PRO A 72 13.456 -10.074 -6.396 1.00 0.00 C ATOM 1078 C PRO A 72 14.664 -10.775 -5.784 1.00 0.00 C ATOM 1079 O PRO A 72 14.590 -11.944 -5.405 1.00 0.00 O ATOM 1080 CB PRO A 72 13.654 -9.882 -7.902 1.00 0.00 C ATOM 1081 CG PRO A 72 14.154 -8.486 -8.047 1.00 0.00 C ATOM 1082 CD PRO A 72 13.504 -7.699 -6.945 1.00 0.00 C ATOM 0 HA PRO A 72 12.603 -10.705 -6.145 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.369 -10.601 -8.302 1.00 0.00 H new ATOM 0 HB3 PRO A 72 12.720 -10.026 -8.445 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.240 -8.450 -7.965 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.895 -8.078 -9.024 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.143 -6.886 -6.600 1.00 0.00 H new ATOM 0 HD3 PRO A 72 12.565 -7.251 -7.270 1.00 0.00 H new ATOM 1090 N ASN A 73 15.776 -10.054 -5.692 1.00 0.00 N ATOM 1091 CA ASN A 73 17.000 -10.609 -5.123 1.00 0.00 C ATOM 1092 C ASN A 73 16.840 -10.853 -3.628 1.00 0.00 C ATOM 1093 O ASN A 73 17.430 -11.781 -3.072 1.00 0.00 O ATOM 1094 CB ASN A 73 18.177 -9.663 -5.375 1.00 0.00 C ATOM 1095 CG ASN A 73 18.257 -9.212 -6.820 1.00 0.00 C ATOM 1096 OD1 ASN A 73 18.827 -9.900 -7.666 1.00 0.00 O ATOM 1097 ND2 ASN A 73 17.683 -8.050 -7.109 1.00 0.00 N ATOM 0 H ASN A 73 15.856 -9.086 -6.003 1.00 0.00 H new ATOM 0 HA ASN A 73 17.199 -11.564 -5.610 1.00 0.00 H new ATOM 0 HB2 ASN A 73 18.082 -8.790 -4.729 1.00 0.00 H new ATOM 0 HB3 ASN A 73 19.106 -10.163 -5.101 1.00 0.00 H new ATOM 0 HD21 ASN A 73 17.704 -7.695 -8.065 1.00 0.00 H new ATOM 0 HD22 ASN A 73 17.221 -7.513 -6.375 1.00 0.00 H new ATOM 1104 N ASN A 74 16.045 -10.008 -2.978 1.00 0.00 N ATOM 1105 CA ASN A 74 15.807 -10.116 -1.542 1.00 0.00 C ATOM 1106 C ASN A 74 17.027 -9.647 -0.762 1.00 0.00 C ATOM 1107 O ASN A 74 17.203 -9.996 0.406 1.00 0.00 O ATOM 1108 CB ASN A 74 15.457 -11.555 -1.153 1.00 0.00 C ATOM 1109 CG ASN A 74 14.463 -12.190 -2.106 1.00 0.00 C ATOM 1110 OD1 ASN A 74 13.438 -11.594 -2.440 1.00 0.00 O ATOM 1111 ND2 ASN A 74 14.760 -13.406 -2.549 1.00 0.00 N ATOM 0 H ASN A 74 15.552 -9.236 -3.427 1.00 0.00 H new ATOM 0 HA ASN A 74 14.961 -9.475 -1.292 1.00 0.00 H new ATOM 0 HB2 ASN A 74 16.368 -12.154 -1.131 1.00 0.00 H new ATOM 0 HB3 ASN A 74 15.045 -11.565 -0.144 1.00 0.00 H new ATOM 0 HD21 ASN A 74 14.128 -13.883 -3.192 1.00 0.00 H new ATOM 0 HD22 ASN A 74 15.620 -13.863 -2.246 1.00 0.00 H new ATOM 1118 N THR A 75 17.868 -8.853 -1.416 1.00 0.00 N ATOM 1119 CA THR A 75 19.072 -8.335 -0.785 1.00 0.00 C ATOM 1120 C THR A 75 18.722 -7.425 0.388 1.00 0.00 C ATOM 1121 O THR A 75 19.536 -7.215 1.289 1.00 0.00 O ATOM 1122 CB THR A 75 19.926 -7.576 -1.803 1.00 0.00 C ATOM 1123 OG1 THR A 75 20.901 -6.783 -1.148 1.00 0.00 O ATOM 1124 CG2 THR A 75 19.120 -6.663 -2.703 1.00 0.00 C ATOM 0 H THR A 75 17.736 -8.555 -2.383 1.00 0.00 H new ATOM 0 HA THR A 75 19.645 -9.181 -0.406 1.00 0.00 H new ATOM 0 HB THR A 75 20.391 -8.346 -2.419 1.00 0.00 H new ATOM 0 HG1 THR A 75 20.511 -5.916 -0.910 1.00 0.00 H new ATOM 0 HG21 THR A 75 19.788 -6.157 -3.400 1.00 0.00 H new ATOM 0 HG22 THR A 75 18.392 -7.252 -3.261 1.00 0.00 H new ATOM 0 HG23 THR A 75 18.599 -5.922 -2.097 1.00 0.00 H new ATOM 1132 N GLY A 76 17.507 -6.886 0.372 1.00 0.00 N ATOM 1133 CA GLY A 76 17.069 -6.006 1.439 1.00 0.00 C ATOM 1134 C GLY A 76 16.957 -4.562 0.991 1.00 0.00 C ATOM 1135 O GLY A 76 16.959 -3.648 1.814 1.00 0.00 O ATOM 0 H GLY A 76 16.817 -7.044 -0.363 1.00 0.00 H new ATOM 0 HA2 GLY A 76 16.102 -6.344 1.810 1.00 0.00 H new ATOM 0 HA3 GLY A 76 17.770 -6.072 2.271 1.00 0.00 H new ATOM 1139 N PHE A 77 16.862 -4.354 -0.320 1.00 0.00 N ATOM 1140 CA PHE A 77 16.751 -3.009 -0.874 1.00 0.00 C ATOM 1141 C PHE A 77 15.634 -2.940 -1.911 1.00 0.00 C ATOM 1142 O PHE A 77 15.387 -3.904 -2.636 1.00 0.00 O ATOM 1143 CB PHE A 77 18.077 -2.584 -1.512 1.00 0.00 C ATOM 1144 CG PHE A 77 19.228 -2.549 -0.548 1.00 0.00 C ATOM 1145 CD1 PHE A 77 19.670 -3.708 0.071 1.00 0.00 C ATOM 1146 CD2 PHE A 77 19.871 -1.355 -0.262 1.00 0.00 C ATOM 1147 CE1 PHE A 77 20.730 -3.676 0.956 1.00 0.00 C ATOM 1148 CE2 PHE A 77 20.932 -1.317 0.623 1.00 0.00 C ATOM 1149 CZ PHE A 77 21.362 -2.479 1.234 1.00 0.00 C ATOM 0 H PHE A 77 16.860 -5.099 -1.017 1.00 0.00 H new ATOM 0 HA PHE A 77 16.512 -2.327 -0.058 1.00 0.00 H new ATOM 0 HB2 PHE A 77 18.316 -3.271 -2.324 1.00 0.00 H new ATOM 0 HB3 PHE A 77 17.956 -1.596 -1.956 1.00 0.00 H new ATOM 0 HD1 PHE A 77 19.180 -4.647 -0.141 1.00 0.00 H new ATOM 0 HD2 PHE A 77 19.539 -0.443 -0.736 1.00 0.00 H new ATOM 0 HE1 PHE A 77 21.065 -4.586 1.431 1.00 0.00 H new ATOM 0 HE2 PHE A 77 21.424 -0.380 0.837 1.00 0.00 H new ATOM 0 HZ PHE A 77 22.190 -2.452 1.927 1.00 0.00 H new ATOM 1159 N ILE A 78 14.966 -1.793 -1.983 1.00 0.00 N ATOM 1160 CA ILE A 78 13.879 -1.603 -2.938 1.00 0.00 C ATOM 1161 C ILE A 78 14.008 -0.279 -3.669 1.00 0.00 C ATOM 1162 O ILE A 78 14.424 0.725 -3.089 1.00 0.00 O ATOM 1163 CB ILE A 78 12.489 -1.603 -2.267 1.00 0.00 C ATOM 1164 CG1 ILE A 78 12.413 -2.581 -1.099 1.00 0.00 C ATOM 1165 CG2 ILE A 78 11.412 -1.921 -3.291 1.00 0.00 C ATOM 1166 CD1 ILE A 78 11.675 -2.012 0.092 1.00 0.00 C ATOM 0 H ILE A 78 15.157 -0.983 -1.393 1.00 0.00 H new ATOM 0 HA ILE A 78 13.959 -2.444 -3.627 1.00 0.00 H new ATOM 0 HB ILE A 78 12.322 -0.604 -1.864 1.00 0.00 H new ATOM 0 HG12 ILE A 78 11.916 -3.494 -1.427 1.00 0.00 H new ATOM 0 HG13 ILE A 78 13.423 -2.859 -0.797 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.436 -1.918 -2.805 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.427 -1.169 -4.080 1.00 0.00 H new ATOM 0 HG23 ILE A 78 11.599 -2.904 -3.723 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.652 -2.751 0.893 1.00 0.00 H new ATOM 0 HD12 ILE A 78 12.185 -1.114 0.441 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.655 -1.760 -0.198 1.00 0.00 H new ATOM 1178 N ASP A 79 13.597 -0.266 -4.928 1.00 0.00 N ATOM 1179 CA ASP A 79 13.615 0.956 -5.709 1.00 0.00 C ATOM 1180 C ASP A 79 12.431 1.809 -5.279 1.00 0.00 C ATOM 1181 O ASP A 79 11.285 1.462 -5.556 1.00 0.00 O ATOM 1182 CB ASP A 79 13.538 0.646 -7.205 1.00 0.00 C ATOM 1183 CG ASP A 79 14.907 0.565 -7.852 1.00 0.00 C ATOM 1184 OD1 ASP A 79 15.680 -0.346 -7.491 1.00 0.00 O ATOM 1185 OD2 ASP A 79 15.206 1.415 -8.717 1.00 0.00 O ATOM 0 H ASP A 79 13.249 -1.085 -5.427 1.00 0.00 H new ATOM 0 HA ASP A 79 14.547 1.493 -5.535 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.014 -0.299 -7.351 1.00 0.00 H new ATOM 0 HB3 ASP A 79 12.949 1.417 -7.703 1.00 0.00 H new ATOM 1190 N TYR A 80 12.713 2.898 -4.567 1.00 0.00 N ATOM 1191 CA TYR A 80 11.671 3.794 -4.052 1.00 0.00 C ATOM 1192 C TYR A 80 10.419 3.797 -4.927 1.00 0.00 C ATOM 1193 O TYR A 80 9.298 3.810 -4.419 1.00 0.00 O ATOM 1194 CB TYR A 80 12.218 5.216 -3.926 1.00 0.00 C ATOM 1195 CG TYR A 80 11.220 6.202 -3.361 1.00 0.00 C ATOM 1196 CD1 TYR A 80 10.540 5.933 -2.179 1.00 0.00 C ATOM 1197 CD2 TYR A 80 10.957 7.403 -4.010 1.00 0.00 C ATOM 1198 CE1 TYR A 80 9.628 6.831 -1.661 1.00 0.00 C ATOM 1199 CE2 TYR A 80 10.046 8.306 -3.495 1.00 0.00 C ATOM 1200 CZ TYR A 80 9.384 8.016 -2.322 1.00 0.00 C ATOM 1201 OH TYR A 80 8.475 8.913 -1.808 1.00 0.00 O ATOM 0 H TYR A 80 13.662 3.186 -4.330 1.00 0.00 H new ATOM 0 HA TYR A 80 11.381 3.419 -3.070 1.00 0.00 H new ATOM 0 HB2 TYR A 80 13.102 5.201 -3.288 1.00 0.00 H new ATOM 0 HB3 TYR A 80 12.540 5.561 -4.909 1.00 0.00 H new ATOM 0 HD1 TYR A 80 10.728 5.006 -1.657 1.00 0.00 H new ATOM 0 HD2 TYR A 80 11.472 7.634 -4.931 1.00 0.00 H new ATOM 0 HE1 TYR A 80 9.108 6.606 -0.742 1.00 0.00 H new ATOM 0 HE2 TYR A 80 9.854 9.236 -4.010 1.00 0.00 H new ATOM 0 HH TYR A 80 8.421 9.697 -2.394 1.00 0.00 H new ATOM 1211 N LYS A 81 10.611 3.787 -6.241 1.00 0.00 N ATOM 1212 CA LYS A 81 9.489 3.789 -7.171 1.00 0.00 C ATOM 1213 C LYS A 81 8.671 2.508 -7.041 1.00 0.00 C ATOM 1214 O LYS A 81 7.457 2.557 -6.845 1.00 0.00 O ATOM 1215 CB LYS A 81 9.986 3.953 -8.609 1.00 0.00 C ATOM 1216 CG LYS A 81 10.275 5.396 -8.990 1.00 0.00 C ATOM 1217 CD LYS A 81 9.113 6.015 -9.751 1.00 0.00 C ATOM 1218 CE LYS A 81 8.085 6.615 -8.806 1.00 0.00 C ATOM 1219 NZ LYS A 81 7.497 7.870 -9.348 1.00 0.00 N ATOM 0 H LYS A 81 11.529 3.777 -6.685 1.00 0.00 H new ATOM 0 HA LYS A 81 8.846 4.634 -6.922 1.00 0.00 H new ATOM 0 HB2 LYS A 81 10.892 3.362 -8.741 1.00 0.00 H new ATOM 0 HB3 LYS A 81 9.239 3.548 -9.292 1.00 0.00 H new ATOM 0 HG2 LYS A 81 10.473 5.978 -8.090 1.00 0.00 H new ATOM 0 HG3 LYS A 81 11.176 5.438 -9.602 1.00 0.00 H new ATOM 0 HD2 LYS A 81 9.487 6.788 -10.422 1.00 0.00 H new ATOM 0 HD3 LYS A 81 8.638 5.256 -10.373 1.00 0.00 H new ATOM 0 HE2 LYS A 81 7.291 5.890 -8.626 1.00 0.00 H new ATOM 0 HE3 LYS A 81 8.553 6.820 -7.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.801 8.247 -8.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 8.251 8.571 -9.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 7.028 7.670 -10.254 1.00 0.00 H new ATOM 1233 N ALA A 82 9.341 1.363 -7.139 1.00 0.00 N ATOM 1234 CA ALA A 82 8.668 0.072 -7.020 1.00 0.00 C ATOM 1235 C ALA A 82 7.796 0.030 -5.770 1.00 0.00 C ATOM 1236 O ALA A 82 6.796 -0.686 -5.717 1.00 0.00 O ATOM 1237 CB ALA A 82 9.689 -1.056 -6.985 1.00 0.00 C ATOM 0 H ALA A 82 10.346 1.302 -7.300 1.00 0.00 H new ATOM 0 HA ALA A 82 8.027 -0.060 -7.892 1.00 0.00 H new ATOM 0 HB1 ALA A 82 9.172 -2.012 -6.896 1.00 0.00 H new ATOM 0 HB2 ALA A 82 10.275 -1.045 -7.904 1.00 0.00 H new ATOM 0 HB3 ALA A 82 10.351 -0.921 -6.130 1.00 0.00 H new ATOM 1243 N PHE A 83 8.193 0.802 -4.764 1.00 0.00 N ATOM 1244 CA PHE A 83 7.462 0.860 -3.506 1.00 0.00 C ATOM 1245 C PHE A 83 6.451 2.003 -3.512 1.00 0.00 C ATOM 1246 O PHE A 83 5.364 1.886 -2.946 1.00 0.00 O ATOM 1247 CB PHE A 83 8.442 1.025 -2.346 1.00 0.00 C ATOM 1248 CG PHE A 83 8.335 -0.064 -1.320 1.00 0.00 C ATOM 1249 CD1 PHE A 83 8.393 -1.392 -1.703 1.00 0.00 C ATOM 1250 CD2 PHE A 83 8.177 0.237 0.022 1.00 0.00 C ATOM 1251 CE1 PHE A 83 8.298 -2.402 -0.769 1.00 0.00 C ATOM 1252 CE2 PHE A 83 8.080 -0.769 0.964 1.00 0.00 C ATOM 1253 CZ PHE A 83 8.142 -2.092 0.568 1.00 0.00 C ATOM 0 H PHE A 83 9.020 1.398 -4.797 1.00 0.00 H new ATOM 0 HA PHE A 83 6.913 -0.073 -3.382 1.00 0.00 H new ATOM 0 HB2 PHE A 83 9.459 1.046 -2.739 1.00 0.00 H new ATOM 0 HB3 PHE A 83 8.266 1.987 -1.865 1.00 0.00 H new ATOM 0 HD1 PHE A 83 8.514 -1.641 -2.747 1.00 0.00 H new ATOM 0 HD2 PHE A 83 8.129 1.269 0.336 1.00 0.00 H new ATOM 0 HE1 PHE A 83 8.346 -3.434 -1.083 1.00 0.00 H new ATOM 0 HE2 PHE A 83 7.956 -0.522 2.008 1.00 0.00 H new ATOM 0 HZ PHE A 83 8.069 -2.881 1.302 1.00 0.00 H new ATOM 1263 N ALA A 84 6.817 3.107 -4.155 1.00 0.00 N ATOM 1264 CA ALA A 84 5.943 4.272 -4.235 1.00 0.00 C ATOM 1265 C ALA A 84 4.820 4.055 -5.247 1.00 0.00 C ATOM 1266 O ALA A 84 3.775 4.703 -5.175 1.00 0.00 O ATOM 1267 CB ALA A 84 6.747 5.511 -4.596 1.00 0.00 C ATOM 0 H ALA A 84 7.713 3.219 -4.629 1.00 0.00 H new ATOM 0 HA ALA A 84 5.488 4.418 -3.255 1.00 0.00 H new ATOM 0 HB1 ALA A 84 6.082 6.373 -4.652 1.00 0.00 H new ATOM 0 HB2 ALA A 84 7.506 5.687 -3.834 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.231 5.362 -5.561 1.00 0.00 H new ATOM 1273 N ALA A 85 5.040 3.143 -6.189 1.00 0.00 N ATOM 1274 CA ALA A 85 4.044 2.845 -7.212 1.00 0.00 C ATOM 1275 C ALA A 85 2.869 2.067 -6.647 1.00 0.00 C ATOM 1276 O ALA A 85 1.835 1.905 -7.294 1.00 0.00 O ATOM 1277 CB ALA A 85 4.678 2.083 -8.360 1.00 0.00 C ATOM 0 H ALA A 85 5.899 2.598 -6.265 1.00 0.00 H new ATOM 0 HA ALA A 85 3.661 3.795 -7.583 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.922 1.868 -9.115 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.472 2.685 -8.802 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.096 1.147 -7.989 1.00 0.00 H new ATOM 1283 N MET A 86 3.049 1.597 -5.437 1.00 0.00 N ATOM 1284 CA MET A 86 2.022 0.830 -4.741 1.00 0.00 C ATOM 1285 C MET A 86 0.882 1.736 -4.290 1.00 0.00 C ATOM 1286 O MET A 86 -0.272 1.312 -4.223 1.00 0.00 O ATOM 1287 CB MET A 86 2.625 0.109 -3.534 1.00 0.00 C ATOM 1288 CG MET A 86 3.699 -0.901 -3.901 1.00 0.00 C ATOM 1289 SD MET A 86 3.013 -2.489 -4.412 1.00 0.00 S ATOM 1290 CE MET A 86 4.195 -2.982 -5.664 1.00 0.00 C ATOM 0 H MET A 86 3.906 1.730 -4.900 1.00 0.00 H new ATOM 0 HA MET A 86 1.622 0.090 -5.434 1.00 0.00 H new ATOM 0 HB2 MET A 86 3.050 0.848 -2.855 1.00 0.00 H new ATOM 0 HB3 MET A 86 1.829 -0.401 -2.991 1.00 0.00 H new ATOM 0 HG2 MET A 86 4.311 -0.498 -4.707 1.00 0.00 H new ATOM 0 HG3 MET A 86 4.358 -1.052 -3.046 1.00 0.00 H new ATOM 0 HE1 MET A 86 3.906 -3.949 -6.076 1.00 0.00 H new ATOM 0 HE2 MET A 86 4.213 -2.238 -6.461 1.00 0.00 H new ATOM 0 HE3 MET A 86 5.187 -3.059 -5.218 1.00 0.00 H new ATOM 1300 N LEU A 87 1.213 2.985 -3.985 1.00 0.00 N ATOM 1301 CA LEU A 87 0.216 3.956 -3.542 1.00 0.00 C ATOM 1302 C LEU A 87 -0.202 4.877 -4.667 1.00 0.00 C ATOM 1303 O LEU A 87 -1.120 5.687 -4.538 1.00 0.00 O ATOM 1304 CB LEU A 87 0.768 4.779 -2.389 1.00 0.00 C ATOM 1305 CG LEU A 87 1.077 3.992 -1.113 1.00 0.00 C ATOM 1306 CD1 LEU A 87 2.403 4.439 -0.517 1.00 0.00 C ATOM 1307 CD2 LEU A 87 -0.047 4.151 -0.101 1.00 0.00 C ATOM 0 H LEU A 87 2.164 3.351 -4.036 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.663 3.402 -3.212 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.681 5.273 -2.721 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.050 5.563 -2.148 1.00 0.00 H new ATOM 0 HG LEU A 87 1.157 2.936 -1.372 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.605 3.868 0.389 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.202 4.269 -1.239 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.353 5.500 -0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.191 3.584 0.799 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.161 5.205 0.153 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.977 3.778 -0.529 1.00 0.00 H new ATOM 1319 N TYR A 88 0.488 4.728 -5.761 1.00 0.00 N ATOM 1320 CA TYR A 88 0.238 5.518 -6.961 1.00 0.00 C ATOM 1321 C TYR A 88 0.012 4.621 -8.174 1.00 0.00 C ATOM 1322 O TYR A 88 0.188 5.046 -9.316 1.00 0.00 O ATOM 1323 CB TYR A 88 1.409 6.467 -7.226 1.00 0.00 C ATOM 1324 CG TYR A 88 1.574 7.535 -6.168 1.00 0.00 C ATOM 1325 CD1 TYR A 88 0.498 8.320 -5.772 1.00 0.00 C ATOM 1326 CD2 TYR A 88 2.805 7.760 -5.566 1.00 0.00 C ATOM 1327 CE1 TYR A 88 0.644 9.298 -4.807 1.00 0.00 C ATOM 1328 CE2 TYR A 88 2.960 8.736 -4.599 1.00 0.00 C ATOM 1329 CZ TYR A 88 1.876 9.501 -4.225 1.00 0.00 C ATOM 1330 OH TYR A 88 2.027 10.474 -3.262 1.00 0.00 O ATOM 0 H TYR A 88 1.247 4.054 -5.859 1.00 0.00 H new ATOM 0 HA TYR A 88 -0.667 6.103 -6.794 1.00 0.00 H new ATOM 0 HB2 TYR A 88 2.329 5.886 -7.291 1.00 0.00 H new ATOM 0 HB3 TYR A 88 1.266 6.946 -8.195 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -0.469 8.163 -6.226 1.00 0.00 H new ATOM 0 HD2 TYR A 88 3.656 7.162 -5.858 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -0.203 9.900 -4.511 1.00 0.00 H new ATOM 0 HE2 TYR A 88 3.924 8.898 -4.140 1.00 0.00 H new ATOM 0 HH TYR A 88 2.957 10.487 -2.953 1.00 0.00 H new ATOM 1340 N SER A 89 -0.380 3.377 -7.919 1.00 0.00 N ATOM 1341 CA SER A 89 -0.630 2.419 -8.990 1.00 0.00 C ATOM 1342 C SER A 89 -2.030 2.606 -9.571 1.00 0.00 C ATOM 1343 O SER A 89 -3.005 2.067 -9.048 1.00 0.00 O ATOM 1344 CB SER A 89 -0.467 0.990 -8.473 1.00 0.00 C ATOM 1345 OG SER A 89 -0.741 0.914 -7.085 1.00 0.00 O ATOM 0 H SER A 89 -0.531 3.009 -6.980 1.00 0.00 H new ATOM 0 HA SER A 89 0.099 2.597 -9.780 1.00 0.00 H new ATOM 0 HB2 SER A 89 -1.139 0.325 -9.016 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.549 0.644 -8.666 1.00 0.00 H new ATOM 0 HG SER A 89 0.081 1.086 -6.579 1.00 0.00 H new ATOM 1351 N VAL A 90 -2.118 3.372 -10.652 1.00 0.00 N ATOM 1352 CA VAL A 90 -3.397 3.630 -11.303 1.00 0.00 C ATOM 1353 C VAL A 90 -3.278 3.498 -12.818 1.00 0.00 C ATOM 1354 O VAL A 90 -3.964 4.193 -13.568 1.00 0.00 O ATOM 1355 CB VAL A 90 -3.931 5.033 -10.961 1.00 0.00 C ATOM 1356 CG1 VAL A 90 -5.367 5.190 -11.436 1.00 0.00 C ATOM 1357 CG2 VAL A 90 -3.827 5.296 -9.465 1.00 0.00 C ATOM 0 H VAL A 90 -1.319 3.825 -11.096 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.098 2.884 -10.929 1.00 0.00 H new ATOM 0 HB VAL A 90 -3.318 5.769 -11.480 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.726 6.188 -11.185 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -5.410 5.050 -12.516 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.995 4.445 -10.948 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -4.209 6.292 -9.243 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -4.413 4.554 -8.923 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.784 5.230 -9.156 1.00 0.00 H new ATOM 1367 N ASP A 91 -2.402 2.602 -13.261 1.00 0.00 N ATOM 1368 CA ASP A 91 -2.193 2.380 -14.687 1.00 0.00 C ATOM 1369 C ASP A 91 -3.474 1.891 -15.356 1.00 0.00 C ATOM 1370 O ASP A 91 -4.032 0.863 -14.973 1.00 0.00 O ATOM 1371 CB ASP A 91 -1.070 1.365 -14.906 1.00 0.00 C ATOM 1372 CG ASP A 91 -0.333 1.590 -16.213 1.00 0.00 C ATOM 1373 OD1 ASP A 91 0.029 2.751 -16.496 1.00 0.00 O ATOM 1374 OD2 ASP A 91 -0.120 0.606 -16.951 1.00 0.00 O ATOM 0 H ASP A 91 -1.826 2.019 -12.654 1.00 0.00 H new ATOM 0 HA ASP A 91 -1.909 3.330 -15.139 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -0.363 1.425 -14.079 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -1.487 0.358 -14.896 1.00 0.00 H new ATOM 1379 N GLU A 92 -3.934 2.635 -16.356 1.00 0.00 N ATOM 1380 CA GLU A 92 -5.149 2.277 -17.078 1.00 0.00 C ATOM 1381 C GLU A 92 -4.910 1.072 -17.981 1.00 0.00 C ATOM 1382 O GLU A 92 -5.435 -0.015 -17.735 1.00 0.00 O ATOM 1383 CB GLU A 92 -5.641 3.463 -17.911 1.00 0.00 C ATOM 1384 CG GLU A 92 -6.934 3.185 -18.661 1.00 0.00 C ATOM 1385 CD GLU A 92 -8.159 3.320 -17.779 1.00 0.00 C ATOM 1386 OE1 GLU A 92 -8.452 4.452 -17.337 1.00 0.00 O ATOM 1387 OE2 GLU A 92 -8.827 2.294 -17.529 1.00 0.00 O ATOM 0 H GLU A 92 -3.484 3.489 -16.685 1.00 0.00 H new ATOM 0 HA GLU A 92 -5.912 2.014 -16.346 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -5.789 4.321 -17.255 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.867 3.739 -18.627 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -7.018 3.874 -19.501 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -6.899 2.178 -19.077 1.00 0.00 H new ATOM 1394 N SER A 93 -4.115 1.271 -19.028 1.00 0.00 N ATOM 1395 CA SER A 93 -3.807 0.200 -19.968 1.00 0.00 C ATOM 1396 C SER A 93 -2.613 -0.619 -19.489 1.00 0.00 C ATOM 1397 O SER A 93 -1.615 -0.007 -19.051 1.00 0.00 O ATOM 1398 CB SER A 93 -3.520 0.776 -21.355 1.00 0.00 C ATOM 1399 OG SER A 93 -3.665 -0.212 -22.360 1.00 0.00 O ATOM 1400 OXT SER A 93 -2.686 -1.865 -19.551 1.00 0.00 O ATOM 0 H SER A 93 -3.673 2.164 -19.246 1.00 0.00 H new ATOM 0 HA SER A 93 -4.675 -0.457 -20.027 1.00 0.00 H new ATOM 0 HB2 SER A 93 -4.199 1.605 -21.555 1.00 0.00 H new ATOM 0 HB3 SER A 93 -2.508 1.180 -21.382 1.00 0.00 H new ATOM 0 HG SER A 93 -3.478 0.183 -23.237 1.00 0.00 H new TER 1406 SER A 93