USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 599 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 21 MET CE :methyl 172:sc= 0 (180deg=-0.101) USER MOD Set 1.2: A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -117:sc= 0.0652 (180deg=-0.358) USER MOD Single : A 3 SER OG : rot 24:sc= 1.02 USER MOD Single : A 4 THR OG1 : rot -61:sc= 1.26 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.0352 K(o=-0.035,f=-0.58) USER MOD Single : A 20 GLN : amide:sc= -4.55! C(o=-4.5!,f=-5.1!) USER MOD Single : A 23 THR OG1 : rot -156:sc= 0.172 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 MET CE :methyl 175:sc= -1.64 (180deg=-1.84) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl -175:sc= -1.11 (180deg=-1.29) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot -62:sc= 0.595 USER MOD Single : A 68 TYR OH : rot 180:sc= -0.0957 USER MOD Single : A 74 HIS : no HD1:sc= -0.12 X(o=-0.12,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.908 18.416 7.229 1.00 0.00 N ATOM 2 CA MET A 1 -19.455 18.250 6.950 1.00 0.00 C ATOM 3 C MET A 1 -19.226 17.494 5.640 1.00 0.00 C ATOM 4 O MET A 1 -20.176 17.019 5.014 1.00 0.00 O ATOM 5 CB MET A 1 -18.813 17.493 8.120 1.00 0.00 C ATOM 6 CG MET A 1 -18.742 18.301 9.408 1.00 0.00 C ATOM 7 SD MET A 1 -18.519 17.266 10.867 1.00 0.00 S ATOM 8 CE MET A 1 -16.788 16.833 10.713 1.00 0.00 C ATOM 0 H1 MET A 1 -21.147 19.428 7.234 1.00 0.00 H new ATOM 0 H2 MET A 1 -21.460 17.934 6.492 1.00 0.00 H new ATOM 0 H3 MET A 1 -21.133 18.002 8.156 1.00 0.00 H new ATOM 0 HA MET A 1 -18.997 19.234 6.845 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.380 16.580 8.305 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.805 17.190 7.836 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.918 19.011 9.342 1.00 0.00 H new ATOM 0 HG3 MET A 1 -19.657 18.884 9.517 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.498 16.192 11.546 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.628 16.303 9.774 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.184 17.740 10.726 1.00 0.00 H new ATOM 20 N VAL A 2 -17.962 17.384 5.232 1.00 0.00 N ATOM 21 CA VAL A 2 -17.609 16.682 3.998 1.00 0.00 C ATOM 22 C VAL A 2 -16.920 15.353 4.304 1.00 0.00 C ATOM 23 O VAL A 2 -16.021 15.291 5.145 1.00 0.00 O ATOM 24 CB VAL A 2 -16.682 17.531 3.097 1.00 0.00 C ATOM 25 CG1 VAL A 2 -17.458 18.658 2.430 1.00 0.00 C ATOM 26 CG2 VAL A 2 -15.503 18.080 3.891 1.00 0.00 C ATOM 0 H VAL A 2 -17.166 17.772 5.738 1.00 0.00 H new ATOM 0 HA VAL A 2 -18.542 16.499 3.466 1.00 0.00 H new ATOM 0 HB VAL A 2 -16.288 16.882 2.315 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -16.785 19.241 1.802 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -18.255 18.238 1.816 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -17.891 19.303 3.194 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.867 18.673 3.234 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -15.871 18.707 4.703 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -14.926 17.253 4.305 1.00 0.00 H new ATOM 36 N SER A 3 -17.345 14.294 3.617 1.00 0.00 N ATOM 37 CA SER A 3 -16.766 12.969 3.816 1.00 0.00 C ATOM 38 C SER A 3 -15.670 12.694 2.784 1.00 0.00 C ATOM 39 O SER A 3 -15.943 12.603 1.586 1.00 0.00 O ATOM 40 CB SER A 3 -17.859 11.898 3.742 1.00 0.00 C ATOM 41 OG SER A 3 -18.298 11.694 2.409 1.00 0.00 O ATOM 0 H SER A 3 -18.088 14.329 2.919 1.00 0.00 H new ATOM 0 HA SER A 3 -16.312 12.936 4.806 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.479 10.961 4.149 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.704 12.196 4.363 1.00 0.00 H new ATOM 0 HG SER A 3 -17.595 11.975 1.787 1.00 0.00 H new ATOM 47 N THR A 4 -14.430 12.577 3.266 1.00 0.00 N ATOM 48 CA THR A 4 -13.263 12.325 2.408 1.00 0.00 C ATOM 49 C THR A 4 -13.069 13.444 1.383 1.00 0.00 C ATOM 50 O THR A 4 -13.906 14.342 1.257 1.00 0.00 O ATOM 51 CB THR A 4 -13.371 10.966 1.690 1.00 0.00 C ATOM 52 OG1 THR A 4 -14.154 11.065 0.511 1.00 0.00 O ATOM 53 CG2 THR A 4 -13.969 9.873 2.548 1.00 0.00 C ATOM 0 H THR A 4 -14.204 12.653 4.258 1.00 0.00 H new ATOM 0 HA THR A 4 -12.391 12.300 3.062 1.00 0.00 H new ATOM 0 HB THR A 4 -12.342 10.697 1.453 1.00 0.00 H new ATOM 0 HG1 THR A 4 -15.064 11.344 0.745 1.00 0.00 H new ATOM 0 HG21 THR A 4 -14.014 8.946 1.977 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.350 9.725 3.433 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.975 10.160 2.854 1.00 0.00 H new ATOM 61 N TYR A 5 -11.951 13.386 0.658 1.00 0.00 N ATOM 62 CA TYR A 5 -11.632 14.394 -0.353 1.00 0.00 C ATOM 63 C TYR A 5 -11.585 13.791 -1.758 1.00 0.00 C ATOM 64 O TYR A 5 -12.013 14.425 -2.724 1.00 0.00 O ATOM 65 CB TYR A 5 -10.296 15.058 -0.022 1.00 0.00 C ATOM 66 CG TYR A 5 -10.417 16.200 0.963 1.00 0.00 C ATOM 67 CD1 TYR A 5 -10.721 15.966 2.301 1.00 0.00 C ATOM 68 CD2 TYR A 5 -10.224 17.514 0.556 1.00 0.00 C ATOM 69 CE1 TYR A 5 -10.830 17.010 3.200 1.00 0.00 C ATOM 70 CE2 TYR A 5 -10.330 18.562 1.450 1.00 0.00 C ATOM 71 CZ TYR A 5 -10.633 18.305 2.770 1.00 0.00 C ATOM 72 OH TYR A 5 -10.737 19.347 3.664 1.00 0.00 O ATOM 0 H TYR A 5 -11.251 12.650 0.753 1.00 0.00 H new ATOM 0 HA TYR A 5 -12.424 15.142 -0.341 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -9.618 14.308 0.385 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -9.846 15.429 -0.943 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -10.874 14.953 2.642 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -9.987 17.720 -0.477 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -11.068 16.812 4.235 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -10.176 19.578 1.116 1.00 0.00 H new ATOM 0 HH TYR A 5 -10.568 20.194 3.200 1.00 0.00 H new ATOM 82 N ASP A 6 -11.059 12.572 -1.868 1.00 0.00 N ATOM 83 CA ASP A 6 -10.953 11.893 -3.160 1.00 0.00 C ATOM 84 C ASP A 6 -10.802 10.383 -2.975 1.00 0.00 C ATOM 85 O ASP A 6 -10.682 9.896 -1.848 1.00 0.00 O ATOM 86 CB ASP A 6 -9.759 12.441 -3.952 1.00 0.00 C ATOM 87 CG ASP A 6 -8.496 12.508 -3.115 1.00 0.00 C ATOM 88 OD1 ASP A 6 -7.823 11.467 -2.974 1.00 0.00 O ATOM 89 OD2 ASP A 6 -8.187 13.600 -2.594 1.00 0.00 O ATOM 0 H ASP A 6 -10.700 12.034 -1.079 1.00 0.00 H new ATOM 0 HA ASP A 6 -11.871 12.083 -3.716 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -9.582 11.809 -4.823 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -9.999 13.437 -4.324 1.00 0.00 H new ATOM 94 N GLU A 7 -10.803 9.648 -4.088 1.00 0.00 N ATOM 95 CA GLU A 7 -10.661 8.194 -4.049 1.00 0.00 C ATOM 96 C GLU A 7 -9.838 7.690 -5.235 1.00 0.00 C ATOM 97 O GLU A 7 -10.197 7.914 -6.393 1.00 0.00 O ATOM 98 CB GLU A 7 -12.036 7.514 -4.030 1.00 0.00 C ATOM 99 CG GLU A 7 -12.956 7.937 -5.169 1.00 0.00 C ATOM 100 CD GLU A 7 -13.045 6.905 -6.280 1.00 0.00 C ATOM 101 OE1 GLU A 7 -13.184 5.702 -5.970 1.00 0.00 O ATOM 102 OE2 GLU A 7 -12.984 7.303 -7.462 1.00 0.00 O ATOM 0 H GLU A 7 -10.901 10.036 -5.026 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.132 7.936 -3.131 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -11.896 6.434 -4.073 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.525 7.735 -3.081 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.954 8.121 -4.772 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -12.599 8.879 -5.585 1.00 0.00 H new ATOM 109 N ILE A 8 -8.732 7.010 -4.934 1.00 0.00 N ATOM 110 CA ILE A 8 -7.849 6.474 -5.968 1.00 0.00 C ATOM 111 C ILE A 8 -7.820 4.945 -5.935 1.00 0.00 C ATOM 112 O ILE A 8 -8.026 4.332 -4.886 1.00 0.00 O ATOM 113 CB ILE A 8 -6.408 7.011 -5.812 1.00 0.00 C ATOM 114 CG1 ILE A 8 -6.416 8.531 -5.619 1.00 0.00 C ATOM 115 CG2 ILE A 8 -5.563 6.633 -7.022 1.00 0.00 C ATOM 116 CD1 ILE A 8 -6.390 8.958 -4.167 1.00 0.00 C ATOM 0 H ILE A 8 -8.426 6.817 -3.980 1.00 0.00 H new ATOM 0 HA ILE A 8 -8.250 6.804 -6.927 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.967 6.554 -4.926 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.553 8.958 -6.130 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -7.305 8.945 -6.095 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.552 7.019 -6.895 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.528 5.548 -7.116 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.004 7.061 -7.922 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.397 10.046 -4.108 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.267 8.561 -3.655 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -5.487 8.575 -3.691 1.00 0.00 H new ATOM 128 N GLU A 9 -7.563 4.339 -7.093 1.00 0.00 N ATOM 129 CA GLU A 9 -7.505 2.882 -7.212 1.00 0.00 C ATOM 130 C GLU A 9 -6.086 2.362 -6.992 1.00 0.00 C ATOM 131 O GLU A 9 -5.110 3.089 -7.189 1.00 0.00 O ATOM 132 CB GLU A 9 -8.011 2.436 -8.589 1.00 0.00 C ATOM 133 CG GLU A 9 -7.354 3.165 -9.755 1.00 0.00 C ATOM 134 CD GLU A 9 -8.206 4.300 -10.293 1.00 0.00 C ATOM 135 OE1 GLU A 9 -9.111 4.028 -11.109 1.00 0.00 O ATOM 136 OE2 GLU A 9 -7.966 5.461 -9.897 1.00 0.00 O ATOM 0 H GLU A 9 -7.391 4.837 -7.966 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.148 2.463 -6.438 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.838 1.365 -8.699 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.089 2.592 -8.637 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.390 3.561 -9.434 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.155 2.454 -10.557 1.00 0.00 H new ATOM 143 N ILE A 10 -5.981 1.093 -6.590 1.00 0.00 N ATOM 144 CA ILE A 10 -4.682 0.463 -6.347 1.00 0.00 C ATOM 145 C ILE A 10 -3.854 0.376 -7.632 1.00 0.00 C ATOM 146 O ILE A 10 -2.624 0.440 -7.589 1.00 0.00 O ATOM 147 CB ILE A 10 -4.839 -0.952 -5.734 1.00 0.00 C ATOM 148 CG1 ILE A 10 -3.469 -1.541 -5.377 1.00 0.00 C ATOM 149 CG2 ILE A 10 -5.586 -1.880 -6.684 1.00 0.00 C ATOM 150 CD1 ILE A 10 -3.531 -2.604 -4.300 1.00 0.00 C ATOM 0 H ILE A 10 -6.781 0.482 -6.426 1.00 0.00 H new ATOM 0 HA ILE A 10 -4.157 1.096 -5.632 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.426 -0.859 -4.820 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.022 -1.969 -6.274 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.812 -0.737 -5.046 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.682 -2.866 -6.229 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -6.578 -1.474 -6.884 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -5.033 -1.965 -7.620 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.527 -2.976 -4.098 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.949 -2.175 -3.389 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.162 -3.427 -4.637 1.00 0.00 H new ATOM 162 N GLU A 11 -4.535 0.237 -8.773 1.00 0.00 N ATOM 163 CA GLU A 11 -3.861 0.149 -10.069 1.00 0.00 C ATOM 164 C GLU A 11 -3.029 1.405 -10.344 1.00 0.00 C ATOM 165 O GLU A 11 -1.972 1.331 -10.972 1.00 0.00 O ATOM 166 CB GLU A 11 -4.886 -0.051 -11.190 1.00 0.00 C ATOM 167 CG GLU A 11 -5.256 -1.508 -11.432 1.00 0.00 C ATOM 168 CD GLU A 11 -5.850 -1.741 -12.809 1.00 0.00 C ATOM 169 OE1 GLU A 11 -6.966 -1.242 -13.068 1.00 0.00 O ATOM 170 OE2 GLU A 11 -5.201 -2.427 -13.628 1.00 0.00 O ATOM 0 H GLU A 11 -5.552 0.183 -8.824 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.190 -0.709 -10.040 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.790 0.508 -10.947 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.488 0.371 -12.113 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.368 -2.128 -11.314 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.971 -1.828 -10.674 1.00 0.00 H new ATOM 177 N ASP A 12 -3.508 2.555 -9.867 1.00 0.00 N ATOM 178 CA ASP A 12 -2.803 3.821 -10.061 1.00 0.00 C ATOM 179 C ASP A 12 -1.943 4.170 -8.840 1.00 0.00 C ATOM 180 O ASP A 12 -1.829 5.338 -8.461 1.00 0.00 O ATOM 181 CB ASP A 12 -3.806 4.946 -10.340 1.00 0.00 C ATOM 182 CG ASP A 12 -3.268 5.964 -11.324 1.00 0.00 C ATOM 183 OD1 ASP A 12 -3.345 5.707 -12.545 1.00 0.00 O ATOM 184 OD2 ASP A 12 -2.767 7.017 -10.877 1.00 0.00 O ATOM 0 H ASP A 12 -4.380 2.635 -9.344 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.141 3.711 -10.920 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.729 4.518 -10.731 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.058 5.446 -9.405 1.00 0.00 H new ATOM 189 N MET A 13 -1.337 3.151 -8.231 1.00 0.00 N ATOM 190 CA MET A 13 -0.488 3.348 -7.059 1.00 0.00 C ATOM 191 C MET A 13 0.839 2.610 -7.227 1.00 0.00 C ATOM 192 O MET A 13 0.860 1.448 -7.636 1.00 0.00 O ATOM 193 CB MET A 13 -1.209 2.853 -5.800 1.00 0.00 C ATOM 194 CG MET A 13 -0.963 3.714 -4.570 1.00 0.00 C ATOM 195 SD MET A 13 -2.310 4.870 -4.251 1.00 0.00 S ATOM 196 CE MET A 13 -2.403 4.805 -2.463 1.00 0.00 C ATOM 0 H MET A 13 -1.419 2.180 -8.531 1.00 0.00 H new ATOM 0 HA MET A 13 -0.281 4.413 -6.956 1.00 0.00 H new ATOM 0 HB2 MET A 13 -2.280 2.816 -5.997 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.889 1.833 -5.587 1.00 0.00 H new ATOM 0 HG2 MET A 13 -0.829 3.070 -3.701 1.00 0.00 H new ATOM 0 HG3 MET A 13 -0.035 4.271 -4.700 1.00 0.00 H new ATOM 0 HE1 MET A 13 -3.193 5.470 -2.115 1.00 0.00 H new ATOM 0 HE2 MET A 13 -2.622 3.785 -2.147 1.00 0.00 H new ATOM 0 HE3 MET A 13 -1.450 5.120 -2.037 1.00 0.00 H new ATOM 206 N THR A 14 1.945 3.288 -6.909 1.00 0.00 N ATOM 207 CA THR A 14 3.272 2.684 -7.029 1.00 0.00 C ATOM 208 C THR A 14 3.491 1.639 -5.941 1.00 0.00 C ATOM 209 O THR A 14 3.031 1.803 -4.811 1.00 0.00 O ATOM 210 CB THR A 14 4.369 3.752 -6.956 1.00 0.00 C ATOM 211 OG1 THR A 14 3.999 4.905 -7.694 1.00 0.00 O ATOM 212 CG2 THR A 14 5.706 3.276 -7.489 1.00 0.00 C ATOM 0 H THR A 14 1.947 4.250 -6.569 1.00 0.00 H new ATOM 0 HA THR A 14 3.327 2.195 -8.002 1.00 0.00 H new ATOM 0 HB THR A 14 4.478 3.980 -5.896 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.712 5.575 -7.633 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.437 4.080 -7.408 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.045 2.418 -6.908 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.599 2.987 -8.535 1.00 0.00 H new ATOM 220 N PHE A 15 4.198 0.567 -6.289 1.00 0.00 N ATOM 221 CA PHE A 15 4.482 -0.508 -5.342 1.00 0.00 C ATOM 222 C PHE A 15 5.967 -0.556 -4.999 1.00 0.00 C ATOM 223 O PHE A 15 6.822 -0.341 -5.859 1.00 0.00 O ATOM 224 CB PHE A 15 4.031 -1.863 -5.904 1.00 0.00 C ATOM 225 CG PHE A 15 4.452 -2.105 -7.328 1.00 0.00 C ATOM 226 CD1 PHE A 15 3.697 -1.611 -8.380 1.00 0.00 C ATOM 227 CD2 PHE A 15 5.601 -2.826 -7.615 1.00 0.00 C ATOM 228 CE1 PHE A 15 4.080 -1.829 -9.689 1.00 0.00 C ATOM 229 CE2 PHE A 15 5.989 -3.047 -8.922 1.00 0.00 C ATOM 230 CZ PHE A 15 5.227 -2.548 -9.961 1.00 0.00 C ATOM 0 H PHE A 15 4.585 0.419 -7.221 1.00 0.00 H new ATOM 0 HA PHE A 15 3.921 -0.302 -4.430 1.00 0.00 H new ATOM 0 HB2 PHE A 15 4.435 -2.658 -5.276 1.00 0.00 H new ATOM 0 HB3 PHE A 15 2.945 -1.928 -5.841 1.00 0.00 H new ATOM 0 HD1 PHE A 15 2.798 -1.049 -8.174 1.00 0.00 H new ATOM 0 HD2 PHE A 15 6.200 -3.220 -6.807 1.00 0.00 H new ATOM 0 HE1 PHE A 15 3.483 -1.437 -10.499 1.00 0.00 H new ATOM 0 HE2 PHE A 15 6.887 -3.609 -9.132 1.00 0.00 H new ATOM 0 HZ PHE A 15 5.528 -2.720 -10.984 1.00 0.00 H new ATOM 240 N GLU A 16 6.263 -0.841 -3.733 1.00 0.00 N ATOM 241 CA GLU A 16 7.640 -0.923 -3.260 1.00 0.00 C ATOM 242 C GLU A 16 7.956 -2.330 -2.756 1.00 0.00 C ATOM 243 O GLU A 16 7.897 -2.595 -1.553 1.00 0.00 O ATOM 244 CB GLU A 16 7.888 0.095 -2.143 1.00 0.00 C ATOM 245 CG GLU A 16 7.697 1.541 -2.576 1.00 0.00 C ATOM 246 CD GLU A 16 8.517 2.528 -1.759 1.00 0.00 C ATOM 247 OE1 GLU A 16 9.375 2.086 -0.962 1.00 0.00 O ATOM 248 OE2 GLU A 16 8.300 3.746 -1.919 1.00 0.00 O ATOM 0 H GLU A 16 5.562 -1.020 -3.014 1.00 0.00 H new ATOM 0 HA GLU A 16 8.297 -0.694 -4.099 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.214 -0.118 -1.314 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.904 -0.031 -1.768 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.968 1.637 -3.627 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.642 1.801 -2.494 1.00 0.00 H new ATOM 255 N PRO A 17 8.302 -3.252 -3.676 1.00 0.00 N ATOM 256 CA PRO A 17 8.637 -4.640 -3.326 1.00 0.00 C ATOM 257 C PRO A 17 9.749 -4.733 -2.281 1.00 0.00 C ATOM 258 O PRO A 17 9.841 -5.725 -1.557 1.00 0.00 O ATOM 259 CB PRO A 17 9.104 -5.241 -4.655 1.00 0.00 C ATOM 260 CG PRO A 17 8.452 -4.403 -5.697 1.00 0.00 C ATOM 261 CD PRO A 17 8.398 -3.014 -5.128 1.00 0.00 C ATOM 0 HA PRO A 17 7.788 -5.158 -2.880 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.190 -5.210 -4.744 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.807 -6.286 -4.744 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.020 -4.423 -6.627 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.452 -4.771 -5.926 1.00 0.00 H new ATOM 0 HD2 PRO A 17 9.287 -2.438 -5.384 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.539 -2.458 -5.503 1.00 0.00 H new ATOM 269 N GLU A 18 10.589 -3.695 -2.208 1.00 0.00 N ATOM 270 CA GLU A 18 11.693 -3.654 -1.248 1.00 0.00 C ATOM 271 C GLU A 18 11.206 -3.951 0.174 1.00 0.00 C ATOM 272 O GLU A 18 11.895 -4.624 0.944 1.00 0.00 O ATOM 273 CB GLU A 18 12.387 -2.286 -1.292 1.00 0.00 C ATOM 274 CG GLU A 18 11.458 -1.114 -1.005 1.00 0.00 C ATOM 275 CD GLU A 18 11.996 0.202 -1.536 1.00 0.00 C ATOM 276 OE1 GLU A 18 11.741 0.512 -2.718 1.00 0.00 O ATOM 277 OE2 GLU A 18 12.672 0.920 -0.770 1.00 0.00 O ATOM 0 H GLU A 18 10.523 -2.871 -2.805 1.00 0.00 H new ATOM 0 HA GLU A 18 12.408 -4.427 -1.529 1.00 0.00 H new ATOM 0 HB2 GLU A 18 13.200 -2.279 -0.566 1.00 0.00 H new ATOM 0 HB3 GLU A 18 12.836 -2.149 -2.276 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.483 -1.310 -1.452 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.305 -1.032 0.071 1.00 0.00 H new ATOM 284 N ASN A 19 10.016 -3.447 0.516 1.00 0.00 N ATOM 285 CA ASN A 19 9.441 -3.663 1.844 1.00 0.00 C ATOM 286 C ASN A 19 7.947 -4.016 1.772 1.00 0.00 C ATOM 287 O ASN A 19 7.234 -3.909 2.772 1.00 0.00 O ATOM 288 CB ASN A 19 9.644 -2.419 2.715 1.00 0.00 C ATOM 289 CG ASN A 19 11.000 -2.406 3.398 1.00 0.00 C ATOM 290 OD1 ASN A 19 11.455 -3.425 3.917 1.00 0.00 O ATOM 291 ND2 ASN A 19 11.653 -1.249 3.405 1.00 0.00 N ATOM 0 H ASN A 19 9.434 -2.888 -0.108 1.00 0.00 H new ATOM 0 HA ASN A 19 9.960 -4.510 2.292 1.00 0.00 H new ATOM 0 HB2 ASN A 19 9.542 -1.526 2.098 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.859 -2.376 3.470 1.00 0.00 H new ATOM 0 HD21 ASN A 19 12.567 -1.182 3.852 1.00 0.00 H new ATOM 0 HD22 ASN A 19 11.240 -0.428 2.963 1.00 0.00 H new ATOM 298 N GLN A 20 7.480 -4.450 0.594 1.00 0.00 N ATOM 299 CA GLN A 20 6.077 -4.831 0.399 1.00 0.00 C ATOM 300 C GLN A 20 5.112 -3.732 0.863 1.00 0.00 C ATOM 301 O GLN A 20 4.462 -3.859 1.903 1.00 0.00 O ATOM 302 CB GLN A 20 5.781 -6.142 1.139 1.00 0.00 C ATOM 303 CG GLN A 20 5.999 -7.387 0.291 1.00 0.00 C ATOM 304 CD GLN A 20 5.663 -8.669 1.033 1.00 0.00 C ATOM 305 OE1 GLN A 20 5.514 -8.673 2.255 1.00 0.00 O ATOM 306 NE2 GLN A 20 5.544 -9.770 0.297 1.00 0.00 N ATOM 0 H GLN A 20 8.057 -4.546 -0.241 1.00 0.00 H new ATOM 0 HA GLN A 20 5.920 -4.973 -0.670 1.00 0.00 H new ATOM 0 HB2 GLN A 20 6.415 -6.200 2.024 1.00 0.00 H new ATOM 0 HB3 GLN A 20 4.748 -6.127 1.487 1.00 0.00 H new ATOM 0 HG2 GLN A 20 5.386 -7.321 -0.608 1.00 0.00 H new ATOM 0 HG3 GLN A 20 7.039 -7.422 -0.034 1.00 0.00 H new ATOM 0 HE21 GLN A 20 5.675 -9.725 -0.714 1.00 0.00 H new ATOM 0 HE22 GLN A 20 5.322 -10.660 0.743 1.00 0.00 H new ATOM 315 N MET A 21 5.019 -2.654 0.081 1.00 0.00 N ATOM 316 CA MET A 21 4.126 -1.541 0.411 1.00 0.00 C ATOM 317 C MET A 21 3.946 -0.594 -0.778 1.00 0.00 C ATOM 318 O MET A 21 4.872 -0.384 -1.561 1.00 0.00 O ATOM 319 CB MET A 21 4.659 -0.764 1.620 1.00 0.00 C ATOM 320 CG MET A 21 6.043 -0.173 1.408 1.00 0.00 C ATOM 321 SD MET A 21 6.372 1.232 2.488 1.00 0.00 S ATOM 322 CE MET A 21 8.161 1.189 2.553 1.00 0.00 C ATOM 0 H MET A 21 5.549 -2.528 -0.782 1.00 0.00 H new ATOM 0 HA MET A 21 3.153 -1.965 0.658 1.00 0.00 H new ATOM 0 HB2 MET A 21 3.963 0.041 1.858 1.00 0.00 H new ATOM 0 HB3 MET A 21 4.686 -1.428 2.484 1.00 0.00 H new ATOM 0 HG2 MET A 21 6.793 -0.944 1.583 1.00 0.00 H new ATOM 0 HG3 MET A 21 6.144 0.141 0.369 1.00 0.00 H new ATOM 0 HE1 MET A 21 8.528 2.078 3.066 1.00 0.00 H new ATOM 0 HE2 MET A 21 8.484 0.299 3.093 1.00 0.00 H new ATOM 0 HE3 MET A 21 8.561 1.163 1.540 1.00 0.00 H new ATOM 332 N PHE A 22 2.750 -0.019 -0.897 1.00 0.00 N ATOM 333 CA PHE A 22 2.444 0.915 -1.981 1.00 0.00 C ATOM 334 C PHE A 22 2.769 2.350 -1.569 1.00 0.00 C ATOM 335 O PHE A 22 2.811 2.670 -0.380 1.00 0.00 O ATOM 336 CB PHE A 22 0.967 0.820 -2.376 1.00 0.00 C ATOM 337 CG PHE A 22 0.662 -0.276 -3.360 1.00 0.00 C ATOM 338 CD1 PHE A 22 0.399 -1.564 -2.922 1.00 0.00 C ATOM 339 CD2 PHE A 22 0.628 -0.015 -4.721 1.00 0.00 C ATOM 340 CE1 PHE A 22 0.108 -2.570 -3.823 1.00 0.00 C ATOM 341 CE2 PHE A 22 0.340 -1.018 -5.626 1.00 0.00 C ATOM 342 CZ PHE A 22 0.078 -2.297 -5.177 1.00 0.00 C ATOM 0 H PHE A 22 1.975 -0.184 -0.255 1.00 0.00 H new ATOM 0 HA PHE A 22 3.061 0.643 -2.837 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.371 0.662 -1.477 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.654 1.773 -2.802 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.422 -1.784 -1.865 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.829 0.984 -5.078 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.096 -3.570 -3.469 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.320 -0.802 -6.684 1.00 0.00 H new ATOM 0 HZ PHE A 22 -0.150 -3.082 -5.883 1.00 0.00 H new ATOM 352 N THR A 23 2.992 3.212 -2.561 1.00 0.00 N ATOM 353 CA THR A 23 3.308 4.616 -2.306 1.00 0.00 C ATOM 354 C THR A 23 2.756 5.516 -3.411 1.00 0.00 C ATOM 355 O THR A 23 2.871 5.202 -4.597 1.00 0.00 O ATOM 356 CB THR A 23 4.823 4.811 -2.188 1.00 0.00 C ATOM 357 OG1 THR A 23 5.501 4.171 -3.257 1.00 0.00 O ATOM 358 CG2 THR A 23 5.398 4.282 -0.891 1.00 0.00 C ATOM 0 H THR A 23 2.959 2.962 -3.549 1.00 0.00 H new ATOM 0 HA THR A 23 2.836 4.897 -1.364 1.00 0.00 H new ATOM 0 HB THR A 23 4.975 5.890 -2.218 1.00 0.00 H new ATOM 0 HG1 THR A 23 6.421 3.968 -2.986 1.00 0.00 H new ATOM 0 HG21 THR A 23 6.474 4.453 -0.874 1.00 0.00 H new ATOM 0 HG22 THR A 23 4.935 4.799 -0.050 1.00 0.00 H new ATOM 0 HG23 THR A 23 5.199 3.213 -0.814 1.00 0.00 H new ATOM 366 N TYR A 24 2.163 6.640 -3.011 1.00 0.00 N ATOM 367 CA TYR A 24 1.599 7.594 -3.963 1.00 0.00 C ATOM 368 C TYR A 24 1.888 9.030 -3.528 1.00 0.00 C ATOM 369 O TYR A 24 1.744 9.367 -2.354 1.00 0.00 O ATOM 370 CB TYR A 24 0.089 7.387 -4.103 1.00 0.00 C ATOM 371 CG TYR A 24 -0.541 8.242 -5.182 1.00 0.00 C ATOM 372 CD1 TYR A 24 -0.635 7.787 -6.491 1.00 0.00 C ATOM 373 CD2 TYR A 24 -1.036 9.508 -4.890 1.00 0.00 C ATOM 374 CE1 TYR A 24 -1.203 8.568 -7.479 1.00 0.00 C ATOM 375 CE2 TYR A 24 -1.607 10.294 -5.873 1.00 0.00 C ATOM 376 CZ TYR A 24 -1.688 9.820 -7.165 1.00 0.00 C ATOM 377 OH TYR A 24 -2.254 10.603 -8.146 1.00 0.00 O ATOM 0 H TYR A 24 2.061 6.912 -2.033 1.00 0.00 H new ATOM 0 HA TYR A 24 2.070 7.420 -4.930 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.107 6.337 -4.322 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -0.390 7.609 -3.149 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -0.258 6.806 -6.741 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -0.973 9.883 -3.879 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -1.267 8.200 -8.492 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -1.988 11.275 -5.630 1.00 0.00 H new ATOM 0 HH TYR A 24 -2.546 11.454 -7.757 1.00 0.00 H new ATOM 387 N PRO A 25 2.298 9.900 -4.473 1.00 0.00 N ATOM 388 CA PRO A 25 2.603 11.304 -4.174 1.00 0.00 C ATOM 389 C PRO A 25 1.358 12.094 -3.779 1.00 0.00 C ATOM 390 O PRO A 25 0.564 12.490 -4.634 1.00 0.00 O ATOM 391 CB PRO A 25 3.187 11.834 -5.487 1.00 0.00 C ATOM 392 CG PRO A 25 2.628 10.941 -6.540 1.00 0.00 C ATOM 393 CD PRO A 25 2.491 9.587 -5.903 1.00 0.00 C ATOM 0 HA PRO A 25 3.281 11.402 -3.327 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.901 12.872 -5.656 1.00 0.00 H new ATOM 0 HB3 PRO A 25 4.276 11.801 -5.477 1.00 0.00 H new ATOM 0 HG2 PRO A 25 1.663 11.307 -6.890 1.00 0.00 H new ATOM 0 HG3 PRO A 25 3.287 10.900 -7.407 1.00 0.00 H new ATOM 0 HD2 PRO A 25 1.645 9.035 -6.311 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.379 8.975 -6.064 1.00 0.00 H new ATOM 401 N CYS A 26 1.196 12.318 -2.476 1.00 0.00 N ATOM 402 CA CYS A 26 0.050 13.063 -1.963 1.00 0.00 C ATOM 403 C CYS A 26 0.049 14.490 -2.503 1.00 0.00 C ATOM 404 O CYS A 26 1.095 15.140 -2.558 1.00 0.00 O ATOM 405 CB CYS A 26 0.070 13.091 -0.430 1.00 0.00 C ATOM 406 SG CYS A 26 -1.434 13.793 0.324 1.00 0.00 S ATOM 0 H CYS A 26 1.844 11.994 -1.758 1.00 0.00 H new ATOM 0 HA CYS A 26 -0.857 12.559 -2.298 1.00 0.00 H new ATOM 0 HB2 CYS A 26 0.208 12.075 -0.061 1.00 0.00 H new ATOM 0 HB3 CYS A 26 0.933 13.670 -0.100 1.00 0.00 H new ATOM 411 N PRO A 27 -1.131 15.002 -2.906 1.00 0.00 N ATOM 412 CA PRO A 27 -1.262 16.363 -3.438 1.00 0.00 C ATOM 413 C PRO A 27 -0.743 17.429 -2.468 1.00 0.00 C ATOM 414 O PRO A 27 -0.411 18.540 -2.885 1.00 0.00 O ATOM 415 CB PRO A 27 -2.773 16.534 -3.661 1.00 0.00 C ATOM 416 CG PRO A 27 -3.419 15.424 -2.902 1.00 0.00 C ATOM 417 CD PRO A 27 -2.424 14.300 -2.875 1.00 0.00 C ATOM 0 HA PRO A 27 -0.671 16.491 -4.345 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.115 17.505 -3.302 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.021 16.480 -4.721 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -3.675 15.741 -1.891 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.346 15.112 -3.383 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.530 13.689 -1.979 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.543 13.635 -3.730 1.00 0.00 H new ATOM 425 N CYS A 28 -0.674 17.090 -1.176 1.00 0.00 N ATOM 426 CA CYS A 28 -0.192 18.030 -0.165 1.00 0.00 C ATOM 427 C CYS A 28 1.288 18.364 -0.380 1.00 0.00 C ATOM 428 O CYS A 28 1.706 19.507 -0.186 1.00 0.00 O ATOM 429 CB CYS A 28 -0.416 17.468 1.245 1.00 0.00 C ATOM 430 SG CYS A 28 0.957 16.455 1.891 1.00 0.00 S ATOM 0 H CYS A 28 -0.945 16.177 -0.810 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.764 18.953 -0.267 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -0.589 18.299 1.929 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.324 16.864 1.241 1.00 0.00 H new ATOM 435 N GLY A 29 2.075 17.364 -0.782 1.00 0.00 N ATOM 436 CA GLY A 29 3.494 17.583 -1.013 1.00 0.00 C ATOM 437 C GLY A 29 4.330 16.329 -0.823 1.00 0.00 C ATOM 438 O GLY A 29 5.217 16.044 -1.629 1.00 0.00 O ATOM 0 H GLY A 29 1.755 16.410 -0.951 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.637 17.958 -2.027 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.851 18.357 -0.334 1.00 0.00 H new ATOM 442 N ASP A 30 4.056 15.582 0.245 1.00 0.00 N ATOM 443 CA ASP A 30 4.798 14.356 0.535 1.00 0.00 C ATOM 444 C ASP A 30 4.221 13.163 -0.233 1.00 0.00 C ATOM 445 O ASP A 30 3.245 13.301 -0.971 1.00 0.00 O ATOM 446 CB ASP A 30 4.777 14.075 2.041 1.00 0.00 C ATOM 447 CG ASP A 30 6.093 13.518 2.549 1.00 0.00 C ATOM 448 OD1 ASP A 30 6.317 12.298 2.405 1.00 0.00 O ATOM 449 OD2 ASP A 30 6.900 14.302 3.092 1.00 0.00 O ATOM 0 H ASP A 30 3.327 15.804 0.923 1.00 0.00 H new ATOM 0 HA ASP A 30 5.829 14.498 0.210 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.546 14.996 2.576 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.977 13.368 2.264 1.00 0.00 H new ATOM 454 N ARG A 31 4.831 11.990 -0.052 1.00 0.00 N ATOM 455 CA ARG A 31 4.379 10.774 -0.723 1.00 0.00 C ATOM 456 C ARG A 31 3.820 9.772 0.286 1.00 0.00 C ATOM 457 O ARG A 31 4.538 9.302 1.170 1.00 0.00 O ATOM 458 CB ARG A 31 5.529 10.139 -1.510 1.00 0.00 C ATOM 459 CG ARG A 31 5.064 9.174 -2.592 1.00 0.00 C ATOM 460 CD ARG A 31 6.233 8.602 -3.382 1.00 0.00 C ATOM 461 NE ARG A 31 7.090 9.649 -3.940 1.00 0.00 N ATOM 462 CZ ARG A 31 8.310 9.430 -4.434 1.00 0.00 C ATOM 463 NH1 ARG A 31 8.811 8.198 -4.473 1.00 0.00 N ATOM 464 NH2 ARG A 31 9.028 10.445 -4.900 1.00 0.00 N ATOM 0 H ARG A 31 5.640 11.858 0.555 1.00 0.00 H new ATOM 0 HA ARG A 31 3.584 11.046 -1.417 1.00 0.00 H new ATOM 0 HB2 ARG A 31 6.124 10.928 -1.969 1.00 0.00 H new ATOM 0 HB3 ARG A 31 6.183 9.609 -0.818 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.501 8.360 -2.135 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.384 9.689 -3.271 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.826 7.957 -2.734 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.852 7.978 -4.190 1.00 0.00 H new ATOM 0 HE ARG A 31 6.733 10.604 -3.952 1.00 0.00 H new ATOM 0 HH11 ARG A 31 8.262 7.413 -4.124 1.00 0.00 H new ATOM 0 HH12 ARG A 31 9.744 8.039 -4.852 1.00 0.00 H new ATOM 0 HH21 ARG A 31 8.647 11.391 -4.880 1.00 0.00 H new ATOM 0 HH22 ARG A 31 9.961 10.279 -5.278 1.00 0.00 H new ATOM 478 N PHE A 32 2.533 9.452 0.146 1.00 0.00 N ATOM 479 CA PHE A 32 1.867 8.509 1.043 1.00 0.00 C ATOM 480 C PHE A 32 2.444 7.101 0.901 1.00 0.00 C ATOM 481 O PHE A 32 3.014 6.755 -0.136 1.00 0.00 O ATOM 482 CB PHE A 32 0.360 8.484 0.768 1.00 0.00 C ATOM 483 CG PHE A 32 -0.438 7.865 1.881 1.00 0.00 C ATOM 484 CD1 PHE A 32 -0.734 8.590 3.023 1.00 0.00 C ATOM 485 CD2 PHE A 32 -0.885 6.556 1.787 1.00 0.00 C ATOM 486 CE1 PHE A 32 -1.461 8.023 4.051 1.00 0.00 C ATOM 487 CE2 PHE A 32 -1.612 5.983 2.814 1.00 0.00 C ATOM 488 CZ PHE A 32 -1.900 6.718 3.947 1.00 0.00 C ATOM 0 H PHE A 32 1.930 9.834 -0.583 1.00 0.00 H new ATOM 0 HA PHE A 32 2.041 8.846 2.065 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.011 9.503 0.604 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.175 7.931 -0.153 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.392 9.611 3.111 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.663 5.978 0.902 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.686 8.600 4.936 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.954 4.962 2.730 1.00 0.00 H new ATOM 0 HZ PHE A 32 -2.468 6.273 4.751 1.00 0.00 H new ATOM 498 N GLN A 33 2.288 6.294 1.952 1.00 0.00 N ATOM 499 CA GLN A 33 2.791 4.921 1.954 1.00 0.00 C ATOM 500 C GLN A 33 1.839 3.985 2.702 1.00 0.00 C ATOM 501 O GLN A 33 1.412 4.284 3.819 1.00 0.00 O ATOM 502 CB GLN A 33 4.184 4.868 2.591 1.00 0.00 C ATOM 503 CG GLN A 33 4.224 5.387 4.022 1.00 0.00 C ATOM 504 CD GLN A 33 5.631 5.708 4.489 1.00 0.00 C ATOM 505 OE1 GLN A 33 6.502 4.839 4.516 1.00 0.00 O ATOM 506 NE2 GLN A 33 5.860 6.963 4.862 1.00 0.00 N ATOM 0 H GLN A 33 1.816 6.569 2.814 1.00 0.00 H new ATOM 0 HA GLN A 33 2.857 4.585 0.919 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.541 3.838 2.578 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.874 5.452 1.983 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.608 6.283 4.097 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.786 4.642 4.687 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.109 7.652 4.824 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.787 7.237 5.187 1.00 0.00 H new ATOM 515 N ILE A 34 1.518 2.848 2.083 1.00 0.00 N ATOM 516 CA ILE A 34 0.626 1.861 2.691 1.00 0.00 C ATOM 517 C ILE A 34 1.133 0.440 2.442 1.00 0.00 C ATOM 518 O ILE A 34 1.371 0.047 1.300 1.00 0.00 O ATOM 519 CB ILE A 34 -0.822 1.991 2.160 1.00 0.00 C ATOM 520 CG1 ILE A 34 -1.747 1.010 2.889 1.00 0.00 C ATOM 521 CG2 ILE A 34 -0.872 1.758 0.655 1.00 0.00 C ATOM 522 CD1 ILE A 34 -3.182 1.479 2.975 1.00 0.00 C ATOM 0 H ILE A 34 1.863 2.588 1.159 1.00 0.00 H new ATOM 0 HA ILE A 34 0.619 2.059 3.763 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.168 3.006 2.356 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.718 0.048 2.377 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.366 0.846 3.897 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.900 1.855 0.306 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.247 2.496 0.152 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.505 0.757 0.429 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.777 0.734 3.504 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.224 2.426 3.514 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.581 1.615 1.970 1.00 0.00 H new ATOM 534 N TYR A 35 1.300 -0.326 3.518 1.00 0.00 N ATOM 535 CA TYR A 35 1.783 -1.702 3.412 1.00 0.00 C ATOM 536 C TYR A 35 0.661 -2.655 3.014 1.00 0.00 C ATOM 537 O TYR A 35 -0.509 -2.417 3.325 1.00 0.00 O ATOM 538 CB TYR A 35 2.400 -2.151 4.738 1.00 0.00 C ATOM 539 CG TYR A 35 3.726 -1.491 5.041 1.00 0.00 C ATOM 540 CD1 TYR A 35 3.782 -0.184 5.509 1.00 0.00 C ATOM 541 CD2 TYR A 35 4.921 -2.174 4.857 1.00 0.00 C ATOM 542 CE1 TYR A 35 4.992 0.424 5.783 1.00 0.00 C ATOM 543 CE2 TYR A 35 6.135 -1.574 5.129 1.00 0.00 C ATOM 544 CZ TYR A 35 6.165 -0.275 5.592 1.00 0.00 C ATOM 545 OH TYR A 35 7.372 0.327 5.864 1.00 0.00 O ATOM 0 H TYR A 35 1.109 -0.019 4.472 1.00 0.00 H new ATOM 0 HA TYR A 35 2.545 -1.728 2.633 1.00 0.00 H new ATOM 0 HB2 TYR A 35 1.702 -1.934 5.546 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.538 -3.232 4.718 1.00 0.00 H new ATOM 0 HD1 TYR A 35 2.865 0.366 5.661 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.901 -3.191 4.495 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.019 1.441 6.145 1.00 0.00 H new ATOM 0 HE2 TYR A 35 7.056 -2.119 4.980 1.00 0.00 H new ATOM 0 HH TYR A 35 8.100 -0.301 5.677 1.00 0.00 H new ATOM 555 N LEU A 36 1.028 -3.738 2.330 1.00 0.00 N ATOM 556 CA LEU A 36 0.057 -4.738 1.891 1.00 0.00 C ATOM 557 C LEU A 36 -0.650 -5.370 3.088 1.00 0.00 C ATOM 558 O LEU A 36 -1.856 -5.607 3.048 1.00 0.00 O ATOM 559 CB LEU A 36 0.742 -5.825 1.055 1.00 0.00 C ATOM 560 CG LEU A 36 1.587 -5.315 -0.114 1.00 0.00 C ATOM 561 CD1 LEU A 36 2.137 -6.481 -0.922 1.00 0.00 C ATOM 562 CD2 LEU A 36 0.767 -4.385 -0.999 1.00 0.00 C ATOM 0 H LEU A 36 1.992 -3.945 2.068 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.687 -4.235 1.273 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.379 -6.417 1.711 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.023 -6.495 0.664 1.00 0.00 H new ATOM 0 HG LEU A 36 2.428 -4.750 0.288 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.736 -6.100 -1.749 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.759 -7.106 -0.282 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.311 -7.073 -1.315 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.384 -4.032 -1.825 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.094 -4.924 -1.394 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.424 -3.533 -0.412 1.00 0.00 H new ATOM 574 N ASP A 37 0.109 -5.633 4.154 1.00 0.00 N ATOM 575 CA ASP A 37 -0.448 -6.230 5.368 1.00 0.00 C ATOM 576 C ASP A 37 -1.487 -5.309 6.011 1.00 0.00 C ATOM 577 O ASP A 37 -2.468 -5.781 6.589 1.00 0.00 O ATOM 578 CB ASP A 37 0.663 -6.543 6.378 1.00 0.00 C ATOM 579 CG ASP A 37 1.592 -5.366 6.613 1.00 0.00 C ATOM 580 OD1 ASP A 37 2.599 -5.249 5.883 1.00 0.00 O ATOM 581 OD2 ASP A 37 1.313 -4.562 7.526 1.00 0.00 O ATOM 0 H ASP A 37 1.110 -5.442 4.200 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.939 -7.160 5.081 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.213 -6.840 7.325 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.244 -7.393 6.020 1.00 0.00 H new ATOM 586 N ASP A 38 -1.268 -3.996 5.906 1.00 0.00 N ATOM 587 CA ASP A 38 -2.187 -3.016 6.478 1.00 0.00 C ATOM 588 C ASP A 38 -3.539 -3.067 5.772 1.00 0.00 C ATOM 589 O ASP A 38 -4.569 -3.310 6.400 1.00 0.00 O ATOM 590 CB ASP A 38 -1.601 -1.602 6.378 1.00 0.00 C ATOM 591 CG ASP A 38 -0.721 -1.248 7.562 1.00 0.00 C ATOM 592 OD1 ASP A 38 -1.270 -0.965 8.648 1.00 0.00 O ATOM 593 OD2 ASP A 38 0.517 -1.246 7.401 1.00 0.00 O ATOM 0 H ASP A 38 -0.462 -3.590 5.430 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.330 -3.264 7.530 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.019 -1.518 5.460 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -2.415 -0.880 6.306 1.00 0.00 H new ATOM 598 N MET A 39 -3.525 -2.838 4.459 1.00 0.00 N ATOM 599 CA MET A 39 -4.751 -2.858 3.666 1.00 0.00 C ATOM 600 C MET A 39 -5.391 -4.248 3.668 1.00 0.00 C ATOM 601 O MET A 39 -6.616 -4.372 3.655 1.00 0.00 O ATOM 602 CB MET A 39 -4.467 -2.397 2.232 1.00 0.00 C ATOM 603 CG MET A 39 -3.525 -3.306 1.457 1.00 0.00 C ATOM 604 SD MET A 39 -2.452 -2.394 0.328 1.00 0.00 S ATOM 605 CE MET A 39 -3.645 -1.788 -0.863 1.00 0.00 C ATOM 0 H MET A 39 -2.680 -2.637 3.924 1.00 0.00 H new ATOM 0 HA MET A 39 -5.458 -2.165 4.122 1.00 0.00 H new ATOM 0 HB2 MET A 39 -5.411 -2.326 1.692 1.00 0.00 H new ATOM 0 HB3 MET A 39 -4.042 -1.394 2.263 1.00 0.00 H new ATOM 0 HG2 MET A 39 -2.911 -3.870 2.159 1.00 0.00 H new ATOM 0 HG3 MET A 39 -4.110 -4.031 0.891 1.00 0.00 H new ATOM 0 HE1 MET A 39 -3.146 -1.131 -1.576 1.00 0.00 H new ATOM 0 HE2 MET A 39 -4.089 -2.630 -1.394 1.00 0.00 H new ATOM 0 HE3 MET A 39 -4.427 -1.233 -0.345 1.00 0.00 H new ATOM 615 N PHE A 40 -4.555 -5.289 3.696 1.00 0.00 N ATOM 616 CA PHE A 40 -5.038 -6.671 3.711 1.00 0.00 C ATOM 617 C PHE A 40 -5.961 -6.914 4.907 1.00 0.00 C ATOM 618 O PHE A 40 -6.986 -7.586 4.780 1.00 0.00 O ATOM 619 CB PHE A 40 -3.854 -7.645 3.750 1.00 0.00 C ATOM 620 CG PHE A 40 -4.247 -9.099 3.694 1.00 0.00 C ATOM 621 CD1 PHE A 40 -4.960 -9.603 2.615 1.00 0.00 C ATOM 622 CD2 PHE A 40 -3.893 -9.963 4.719 1.00 0.00 C ATOM 623 CE1 PHE A 40 -5.313 -10.939 2.564 1.00 0.00 C ATOM 624 CE2 PHE A 40 -4.243 -11.299 4.671 1.00 0.00 C ATOM 625 CZ PHE A 40 -4.954 -11.788 3.593 1.00 0.00 C ATOM 0 H PHE A 40 -3.539 -5.200 3.709 1.00 0.00 H new ATOM 0 HA PHE A 40 -5.609 -6.843 2.799 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.191 -7.427 2.913 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.284 -7.469 4.662 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -5.242 -8.945 1.807 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -3.337 -9.587 5.565 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.869 -11.319 1.720 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -3.960 -11.961 5.477 1.00 0.00 H new ATOM 0 HZ PHE A 40 -5.229 -12.832 3.554 1.00 0.00 H new ATOM 635 N GLU A 41 -5.596 -6.358 6.065 1.00 0.00 N ATOM 636 CA GLU A 41 -6.400 -6.509 7.279 1.00 0.00 C ATOM 637 C GLU A 41 -7.790 -5.901 7.094 1.00 0.00 C ATOM 638 O GLU A 41 -8.777 -6.418 7.618 1.00 0.00 O ATOM 639 CB GLU A 41 -5.699 -5.850 8.472 1.00 0.00 C ATOM 640 CG GLU A 41 -4.685 -6.753 9.160 1.00 0.00 C ATOM 641 CD GLU A 41 -4.631 -6.542 10.662 1.00 0.00 C ATOM 642 OE1 GLU A 41 -5.702 -6.561 11.307 1.00 0.00 O ATOM 643 OE2 GLU A 41 -3.516 -6.360 11.195 1.00 0.00 O ATOM 0 H GLU A 41 -4.751 -5.800 6.187 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.511 -7.575 7.476 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.195 -4.945 8.132 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.450 -5.542 9.199 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.933 -7.794 8.953 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.697 -6.571 8.737 1.00 0.00 H new ATOM 650 N GLY A 42 -7.858 -4.802 6.344 1.00 0.00 N ATOM 651 CA GLY A 42 -9.129 -4.142 6.099 1.00 0.00 C ATOM 652 C GLY A 42 -9.031 -2.631 6.199 1.00 0.00 C ATOM 653 O GLY A 42 -9.868 -1.991 6.838 1.00 0.00 O ATOM 0 H GLY A 42 -7.054 -4.357 5.902 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.490 -4.414 5.107 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.866 -4.503 6.817 1.00 0.00 H new ATOM 657 N GLU A 43 -8.008 -2.058 5.565 1.00 0.00 N ATOM 658 CA GLU A 43 -7.803 -0.613 5.586 1.00 0.00 C ATOM 659 C GLU A 43 -8.219 0.019 4.260 1.00 0.00 C ATOM 660 O GLU A 43 -7.623 -0.258 3.217 1.00 0.00 O ATOM 661 CB GLU A 43 -6.339 -0.286 5.885 1.00 0.00 C ATOM 662 CG GLU A 43 -6.159 0.941 6.765 1.00 0.00 C ATOM 663 CD GLU A 43 -4.958 1.776 6.366 1.00 0.00 C ATOM 664 OE1 GLU A 43 -3.847 1.211 6.268 1.00 0.00 O ATOM 665 OE2 GLU A 43 -5.127 2.995 6.152 1.00 0.00 O ATOM 0 H GLU A 43 -7.309 -2.574 5.031 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.428 -0.197 6.376 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -5.876 -1.144 6.372 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.811 -0.130 4.945 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.058 1.556 6.712 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.049 0.626 7.803 1.00 0.00 H new ATOM 672 N LYS A 44 -9.243 0.870 4.311 1.00 0.00 N ATOM 673 CA LYS A 44 -9.746 1.549 3.116 1.00 0.00 C ATOM 674 C LYS A 44 -9.582 3.068 3.231 1.00 0.00 C ATOM 675 O LYS A 44 -9.225 3.735 2.258 1.00 0.00 O ATOM 676 CB LYS A 44 -11.218 1.193 2.882 1.00 0.00 C ATOM 677 CG LYS A 44 -12.151 1.665 3.988 1.00 0.00 C ATOM 678 CD LYS A 44 -13.427 0.841 4.028 1.00 0.00 C ATOM 679 CE LYS A 44 -13.291 -0.356 4.958 1.00 0.00 C ATOM 680 NZ LYS A 44 -14.586 -0.715 5.601 1.00 0.00 N ATOM 0 H LYS A 44 -9.742 1.106 5.169 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.158 1.209 2.264 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -11.541 1.629 1.937 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.308 0.111 2.781 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.642 1.596 4.949 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.399 2.715 3.833 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -14.255 1.467 4.359 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -13.670 0.496 3.023 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.917 -1.211 4.395 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.553 -0.134 5.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.448 -1.535 6.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -14.932 0.091 6.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -15.284 -0.953 4.867 1.00 0.00 H new ATOM 694 N VAL A 45 -9.846 3.606 4.424 1.00 0.00 N ATOM 695 CA VAL A 45 -9.729 5.042 4.665 1.00 0.00 C ATOM 696 C VAL A 45 -8.433 5.376 5.403 1.00 0.00 C ATOM 697 O VAL A 45 -8.332 5.197 6.618 1.00 0.00 O ATOM 698 CB VAL A 45 -10.932 5.588 5.469 1.00 0.00 C ATOM 699 CG1 VAL A 45 -12.163 5.693 4.582 1.00 0.00 C ATOM 700 CG2 VAL A 45 -11.220 4.718 6.687 1.00 0.00 C ATOM 0 H VAL A 45 -10.142 3.067 5.237 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.717 5.522 3.687 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.675 6.586 5.824 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -12.999 6.079 5.165 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -11.957 6.369 3.752 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -12.416 4.707 4.193 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -12.071 5.126 7.233 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.450 3.703 6.363 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -10.346 4.702 7.337 1.00 0.00 H new ATOM 710 N ALA A 46 -7.442 5.855 4.654 1.00 0.00 N ATOM 711 CA ALA A 46 -6.146 6.211 5.224 1.00 0.00 C ATOM 712 C ALA A 46 -6.034 7.717 5.457 1.00 0.00 C ATOM 713 O ALA A 46 -6.863 8.493 4.975 1.00 0.00 O ATOM 714 CB ALA A 46 -5.027 5.726 4.314 1.00 0.00 C ATOM 0 H ALA A 46 -7.513 6.006 3.648 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.054 5.721 6.193 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.064 5.996 4.747 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.087 4.643 4.209 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.128 6.192 3.334 1.00 0.00 H new ATOM 720 N VAL A 47 -5.004 8.125 6.201 1.00 0.00 N ATOM 721 CA VAL A 47 -4.786 9.538 6.501 1.00 0.00 C ATOM 722 C VAL A 47 -3.314 9.917 6.354 1.00 0.00 C ATOM 723 O VAL A 47 -2.437 9.266 6.925 1.00 0.00 O ATOM 724 CB VAL A 47 -5.258 9.895 7.928 1.00 0.00 C ATOM 725 CG1 VAL A 47 -6.777 9.957 7.990 1.00 0.00 C ATOM 726 CG2 VAL A 47 -4.717 8.899 8.949 1.00 0.00 C ATOM 0 H VAL A 47 -4.310 7.497 6.605 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.376 10.104 5.780 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.863 10.880 8.178 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.090 10.210 9.003 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.139 10.718 7.298 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.192 8.988 7.713 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.064 9.174 9.945 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.072 7.898 8.704 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.627 8.913 8.928 1.00 0.00 H new ATOM 736 N CYS A 48 -3.052 10.974 5.588 1.00 0.00 N ATOM 737 CA CYS A 48 -1.684 11.444 5.367 1.00 0.00 C ATOM 738 C CYS A 48 -1.074 11.977 6.664 1.00 0.00 C ATOM 739 O CYS A 48 -1.729 12.707 7.411 1.00 0.00 O ATOM 740 CB CYS A 48 -1.662 12.539 4.295 1.00 0.00 C ATOM 741 SG CYS A 48 -0.008 13.228 3.955 1.00 0.00 S ATOM 0 H CYS A 48 -3.768 11.522 5.110 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.089 10.597 5.025 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.070 12.133 3.370 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.322 13.348 4.606 1.00 0.00 H new ATOM 746 N PRO A 49 0.194 11.620 6.952 1.00 0.00 N ATOM 747 CA PRO A 49 0.887 12.069 8.162 1.00 0.00 C ATOM 748 C PRO A 49 1.518 13.460 8.018 1.00 0.00 C ATOM 749 O PRO A 49 2.418 13.820 8.781 1.00 0.00 O ATOM 750 CB PRO A 49 1.964 11.002 8.341 1.00 0.00 C ATOM 751 CG PRO A 49 2.300 10.567 6.953 1.00 0.00 C ATOM 752 CD PRO A 49 1.051 10.749 6.124 1.00 0.00 C ATOM 0 HA PRO A 49 0.208 12.173 9.008 1.00 0.00 H new ATOM 0 HB2 PRO A 49 2.838 11.404 8.853 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.599 10.168 8.940 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.121 11.160 6.550 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.623 9.526 6.942 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.275 11.209 5.161 1.00 0.00 H new ATOM 0 HD3 PRO A 49 0.567 9.794 5.917 1.00 0.00 H new ATOM 760 N SER A 50 1.040 14.240 7.045 1.00 0.00 N ATOM 761 CA SER A 50 1.552 15.587 6.811 1.00 0.00 C ATOM 762 C SER A 50 0.404 16.594 6.757 1.00 0.00 C ATOM 763 O SER A 50 0.386 17.565 7.515 1.00 0.00 O ATOM 764 CB SER A 50 2.360 15.638 5.511 1.00 0.00 C ATOM 765 OG SER A 50 3.504 16.463 5.656 1.00 0.00 O ATOM 0 H SER A 50 0.297 13.958 6.406 1.00 0.00 H new ATOM 0 HA SER A 50 2.209 15.851 7.639 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.667 14.631 5.230 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.733 16.017 4.704 1.00 0.00 H new ATOM 0 HG SER A 50 4.005 16.479 4.814 1.00 0.00 H new ATOM 771 N CYS A 51 -0.554 16.353 5.860 1.00 0.00 N ATOM 772 CA CYS A 51 -1.709 17.241 5.712 1.00 0.00 C ATOM 773 C CYS A 51 -2.953 16.676 6.410 1.00 0.00 C ATOM 774 O CYS A 51 -3.892 17.418 6.707 1.00 0.00 O ATOM 775 CB CYS A 51 -2.007 17.487 4.228 1.00 0.00 C ATOM 776 SG CYS A 51 -2.665 16.037 3.340 1.00 0.00 S ATOM 0 H CYS A 51 -0.553 15.553 5.227 1.00 0.00 H new ATOM 0 HA CYS A 51 -1.457 18.187 6.191 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.723 18.304 4.145 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -1.091 17.814 3.736 1.00 0.00 H new ATOM 781 N SER A 52 -2.957 15.364 6.664 1.00 0.00 N ATOM 782 CA SER A 52 -4.087 14.705 7.320 1.00 0.00 C ATOM 783 C SER A 52 -5.318 14.696 6.409 1.00 0.00 C ATOM 784 O SER A 52 -6.448 14.888 6.866 1.00 0.00 O ATOM 785 CB SER A 52 -4.409 15.396 8.649 1.00 0.00 C ATOM 786 OG SER A 52 -4.840 14.458 9.620 1.00 0.00 O ATOM 0 H SER A 52 -2.188 14.738 6.424 1.00 0.00 H new ATOM 0 HA SER A 52 -3.808 13.671 7.523 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.526 15.921 9.013 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.184 16.146 8.494 1.00 0.00 H new ATOM 0 HG SER A 52 -5.038 14.924 10.459 1.00 0.00 H new ATOM 792 N LEU A 53 -5.089 14.466 5.116 1.00 0.00 N ATOM 793 CA LEU A 53 -6.169 14.428 4.134 1.00 0.00 C ATOM 794 C LEU A 53 -6.782 13.031 4.055 1.00 0.00 C ATOM 795 O LEU A 53 -6.067 12.036 3.919 1.00 0.00 O ATOM 796 CB LEU A 53 -5.641 14.855 2.761 1.00 0.00 C ATOM 797 CG LEU A 53 -6.680 14.893 1.638 1.00 0.00 C ATOM 798 CD1 LEU A 53 -7.350 16.257 1.576 1.00 0.00 C ATOM 799 CD2 LEU A 53 -6.029 14.554 0.305 1.00 0.00 C ATOM 0 H LEU A 53 -4.161 14.303 4.725 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.948 15.123 4.448 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.196 15.846 2.854 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.842 14.173 2.470 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.446 14.147 1.848 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.085 16.265 0.772 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.847 16.462 2.524 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.598 17.023 1.388 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.780 14.585 -0.485 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.244 15.279 0.088 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.596 13.555 0.355 1.00 0.00 H new ATOM 811 N MET A 54 -8.111 12.964 4.144 1.00 0.00 N ATOM 812 CA MET A 54 -8.821 11.688 4.084 1.00 0.00 C ATOM 813 C MET A 54 -9.034 11.253 2.638 1.00 0.00 C ATOM 814 O MET A 54 -9.493 12.038 1.805 1.00 0.00 O ATOM 815 CB MET A 54 -10.171 11.786 4.801 1.00 0.00 C ATOM 816 CG MET A 54 -10.083 11.585 6.306 1.00 0.00 C ATOM 817 SD MET A 54 -11.705 11.537 7.099 1.00 0.00 S ATOM 818 CE MET A 54 -12.496 12.960 6.352 1.00 0.00 C ATOM 0 H MET A 54 -8.716 13.778 4.258 1.00 0.00 H new ATOM 0 HA MET A 54 -8.207 10.941 4.587 1.00 0.00 H new ATOM 0 HB2 MET A 54 -10.609 12.764 4.599 1.00 0.00 H new ATOM 0 HB3 MET A 54 -10.849 11.041 4.383 1.00 0.00 H new ATOM 0 HG2 MET A 54 -9.554 10.655 6.514 1.00 0.00 H new ATOM 0 HG3 MET A 54 -9.494 12.391 6.742 1.00 0.00 H new ATOM 0 HE1 MET A 54 -13.474 13.114 6.808 1.00 0.00 H new ATOM 0 HE2 MET A 54 -11.879 13.844 6.510 1.00 0.00 H new ATOM 0 HE3 MET A 54 -12.617 12.789 5.282 1.00 0.00 H new ATOM 828 N ILE A 55 -8.695 9.997 2.347 1.00 0.00 N ATOM 829 CA ILE A 55 -8.842 9.453 0.999 1.00 0.00 C ATOM 830 C ILE A 55 -9.299 7.993 1.027 1.00 0.00 C ATOM 831 O ILE A 55 -8.923 7.233 1.922 1.00 0.00 O ATOM 832 CB ILE A 55 -7.518 9.548 0.207 1.00 0.00 C ATOM 833 CG1 ILE A 55 -6.396 8.796 0.935 1.00 0.00 C ATOM 834 CG2 ILE A 55 -7.131 11.005 -0.012 1.00 0.00 C ATOM 835 CD1 ILE A 55 -6.198 7.378 0.445 1.00 0.00 C ATOM 0 H ILE A 55 -8.317 9.338 3.027 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.604 10.055 0.503 1.00 0.00 H new ATOM 0 HB ILE A 55 -7.667 9.081 -0.766 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.463 9.347 0.814 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.617 8.775 2.002 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -6.197 11.053 -0.571 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -7.917 11.510 -0.574 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.002 11.496 0.952 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.389 6.909 1.005 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.117 6.811 0.592 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.945 7.391 -0.615 1.00 0.00 H new ATOM 847 N ASP A 56 -10.106 7.608 0.036 1.00 0.00 N ATOM 848 CA ASP A 56 -10.609 6.239 -0.063 1.00 0.00 C ATOM 849 C ASP A 56 -9.874 5.470 -1.160 1.00 0.00 C ATOM 850 O ASP A 56 -10.122 5.684 -2.349 1.00 0.00 O ATOM 851 CB ASP A 56 -12.115 6.233 -0.353 1.00 0.00 C ATOM 852 CG ASP A 56 -12.885 7.218 0.505 1.00 0.00 C ATOM 853 OD1 ASP A 56 -13.211 6.872 1.660 1.00 0.00 O ATOM 854 OD2 ASP A 56 -13.164 8.336 0.021 1.00 0.00 O ATOM 0 H ASP A 56 -10.425 8.227 -0.709 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.430 5.749 0.894 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.278 6.470 -1.404 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.508 5.230 -0.187 1.00 0.00 H new ATOM 859 N VAL A 57 -8.973 4.573 -0.760 1.00 0.00 N ATOM 860 CA VAL A 57 -8.214 3.777 -1.721 1.00 0.00 C ATOM 861 C VAL A 57 -8.723 2.336 -1.766 1.00 0.00 C ATOM 862 O VAL A 57 -8.678 1.616 -0.766 1.00 0.00 O ATOM 863 CB VAL A 57 -6.698 3.788 -1.407 1.00 0.00 C ATOM 864 CG1 VAL A 57 -6.408 3.160 -0.050 1.00 0.00 C ATOM 865 CG2 VAL A 57 -5.920 3.076 -2.506 1.00 0.00 C ATOM 0 H VAL A 57 -8.752 4.381 0.217 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.363 4.236 -2.698 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.372 4.827 -1.368 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.335 3.183 0.140 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.927 3.720 0.728 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.755 2.127 -0.046 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.856 3.093 -2.269 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -6.258 2.042 -2.580 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.088 3.582 -3.457 1.00 0.00 H new ATOM 875 N VAL A 58 -9.213 1.922 -2.933 1.00 0.00 N ATOM 876 CA VAL A 58 -9.734 0.569 -3.107 1.00 0.00 C ATOM 877 C VAL A 58 -8.615 -0.408 -3.467 1.00 0.00 C ATOM 878 O VAL A 58 -7.720 -0.083 -4.251 1.00 0.00 O ATOM 879 CB VAL A 58 -10.839 0.521 -4.187 1.00 0.00 C ATOM 880 CG1 VAL A 58 -10.285 0.889 -5.558 1.00 0.00 C ATOM 881 CG2 VAL A 58 -11.499 -0.852 -4.218 1.00 0.00 C ATOM 0 H VAL A 58 -9.260 2.503 -3.770 1.00 0.00 H new ATOM 0 HA VAL A 58 -10.171 0.269 -2.155 1.00 0.00 H new ATOM 0 HB VAL A 58 -11.597 1.260 -3.927 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -11.085 0.847 -6.297 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -9.874 1.898 -5.526 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -9.499 0.186 -5.833 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -12.274 -0.866 -4.984 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -10.750 -1.611 -4.445 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -11.946 -1.063 -3.246 1.00 0.00 H new ATOM 891 N PHE A 59 -8.671 -1.602 -2.881 1.00 0.00 N ATOM 892 CA PHE A 59 -7.664 -2.630 -3.127 1.00 0.00 C ATOM 893 C PHE A 59 -8.315 -3.965 -3.487 1.00 0.00 C ATOM 894 O PHE A 59 -9.518 -4.154 -3.295 1.00 0.00 O ATOM 895 CB PHE A 59 -6.762 -2.790 -1.897 1.00 0.00 C ATOM 896 CG PHE A 59 -7.481 -3.282 -0.669 1.00 0.00 C ATOM 897 CD1 PHE A 59 -8.262 -2.420 0.088 1.00 0.00 C ATOM 898 CD2 PHE A 59 -7.372 -4.605 -0.270 1.00 0.00 C ATOM 899 CE1 PHE A 59 -8.920 -2.870 1.217 1.00 0.00 C ATOM 900 CE2 PHE A 59 -8.028 -5.059 0.859 1.00 0.00 C ATOM 901 CZ PHE A 59 -8.803 -4.191 1.603 1.00 0.00 C ATOM 0 H PHE A 59 -9.406 -1.881 -2.231 1.00 0.00 H new ATOM 0 HA PHE A 59 -7.056 -2.314 -3.975 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.958 -3.485 -2.137 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -6.297 -1.830 -1.673 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -8.357 -1.386 -0.209 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.768 -5.289 -0.848 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -9.525 -2.189 1.797 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.934 -6.092 1.159 1.00 0.00 H new ATOM 0 HZ PHE A 59 -9.317 -4.545 2.485 1.00 0.00 H new ATOM 911 N ASP A 60 -7.508 -4.886 -4.014 1.00 0.00 N ATOM 912 CA ASP A 60 -7.993 -6.206 -4.411 1.00 0.00 C ATOM 913 C ASP A 60 -7.135 -7.312 -3.800 1.00 0.00 C ATOM 914 O ASP A 60 -6.159 -7.037 -3.098 1.00 0.00 O ATOM 915 CB ASP A 60 -7.988 -6.330 -5.938 1.00 0.00 C ATOM 916 CG ASP A 60 -8.822 -5.257 -6.608 1.00 0.00 C ATOM 917 OD1 ASP A 60 -8.310 -4.132 -6.785 1.00 0.00 O ATOM 918 OD2 ASP A 60 -9.989 -5.540 -6.951 1.00 0.00 O ATOM 0 H ASP A 60 -6.512 -4.740 -4.176 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.012 -6.318 -4.042 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -6.962 -6.269 -6.301 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.368 -7.311 -6.221 1.00 0.00 H new ATOM 923 N LYS A 61 -7.501 -8.564 -4.076 1.00 0.00 N ATOM 924 CA LYS A 61 -6.763 -9.713 -3.561 1.00 0.00 C ATOM 925 C LYS A 61 -6.035 -10.454 -4.687 1.00 0.00 C ATOM 926 O LYS A 61 -5.818 -11.666 -4.606 1.00 0.00 O ATOM 927 CB LYS A 61 -7.712 -10.667 -2.824 1.00 0.00 C ATOM 928 CG LYS A 61 -8.244 -10.104 -1.513 1.00 0.00 C ATOM 929 CD LYS A 61 -8.785 -11.199 -0.603 1.00 0.00 C ATOM 930 CE LYS A 61 -8.560 -10.869 0.868 1.00 0.00 C ATOM 931 NZ LYS A 61 -9.632 -9.993 1.421 1.00 0.00 N ATOM 0 H LYS A 61 -8.305 -8.806 -4.654 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.014 -9.346 -2.860 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.553 -10.905 -3.475 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.190 -11.602 -2.623 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.448 -9.566 -0.999 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.034 -9.382 -1.722 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.851 -11.332 -0.788 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.299 -12.145 -0.843 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.517 -11.794 1.443 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.595 -10.376 0.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.436 -9.796 2.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.658 -9.099 0.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.551 -10.473 1.336 1.00 0.00 H new ATOM 945 N GLU A 62 -5.651 -9.718 -5.734 1.00 0.00 N ATOM 946 CA GLU A 62 -4.939 -10.304 -6.867 1.00 0.00 C ATOM 947 C GLU A 62 -3.439 -10.052 -6.747 1.00 0.00 C ATOM 948 O GLU A 62 -2.666 -10.974 -6.483 1.00 0.00 O ATOM 949 CB GLU A 62 -5.464 -9.731 -8.189 1.00 0.00 C ATOM 950 CG GLU A 62 -6.727 -10.414 -8.692 1.00 0.00 C ATOM 951 CD GLU A 62 -6.768 -10.537 -10.204 1.00 0.00 C ATOM 952 OE1 GLU A 62 -7.034 -9.518 -10.876 1.00 0.00 O ATOM 953 OE2 GLU A 62 -6.535 -11.652 -10.715 1.00 0.00 O ATOM 0 H GLU A 62 -5.822 -8.716 -5.818 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.115 -11.380 -6.858 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.663 -8.667 -8.060 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.686 -9.820 -8.948 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.798 -11.408 -8.249 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.598 -9.852 -8.354 1.00 0.00 H new ATOM 960 N ASP A 63 -3.035 -8.794 -6.925 1.00 0.00 N ATOM 961 CA ASP A 63 -1.625 -8.419 -6.824 1.00 0.00 C ATOM 962 C ASP A 63 -1.136 -8.550 -5.383 1.00 0.00 C ATOM 963 O ASP A 63 -0.002 -8.962 -5.143 1.00 0.00 O ATOM 964 CB ASP A 63 -1.403 -6.987 -7.321 1.00 0.00 C ATOM 965 CG ASP A 63 -2.291 -5.977 -6.619 1.00 0.00 C ATOM 966 OD1 ASP A 63 -1.907 -5.507 -5.527 1.00 0.00 O ATOM 967 OD2 ASP A 63 -3.370 -5.658 -7.159 1.00 0.00 O ATOM 0 H ASP A 63 -3.663 -8.019 -7.139 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.052 -9.099 -7.455 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.359 -6.713 -7.170 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.592 -6.946 -8.394 1.00 0.00 H new ATOM 972 N LEU A 64 -1.998 -8.198 -4.429 1.00 0.00 N ATOM 973 CA LEU A 64 -1.649 -8.281 -3.012 1.00 0.00 C ATOM 974 C LEU A 64 -1.210 -9.698 -2.641 1.00 0.00 C ATOM 975 O LEU A 64 -0.244 -9.881 -1.898 1.00 0.00 O ATOM 976 CB LEU A 64 -2.836 -7.852 -2.141 1.00 0.00 C ATOM 977 CG LEU A 64 -2.494 -6.855 -1.029 1.00 0.00 C ATOM 978 CD1 LEU A 64 -3.598 -5.820 -0.877 1.00 0.00 C ATOM 979 CD2 LEU A 64 -2.259 -7.584 0.286 1.00 0.00 C ATOM 0 H LEU A 64 -2.941 -7.854 -4.612 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.815 -7.603 -2.830 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.598 -7.410 -2.783 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.276 -8.741 -1.689 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.576 -6.336 -1.304 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.335 -5.122 -0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.718 -5.275 -1.814 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.533 -6.320 -0.626 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.017 -6.861 1.065 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.160 -8.130 0.565 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.431 -8.284 0.171 1.00 0.00 H new ATOM 991 N ALA A 65 -1.918 -10.696 -3.172 1.00 0.00 N ATOM 992 CA ALA A 65 -1.596 -12.095 -2.902 1.00 0.00 C ATOM 993 C ALA A 65 -0.336 -12.530 -3.649 1.00 0.00 C ATOM 994 O ALA A 65 0.476 -13.290 -3.118 1.00 0.00 O ATOM 995 CB ALA A 65 -2.769 -12.986 -3.279 1.00 0.00 C ATOM 0 H ALA A 65 -2.717 -10.560 -3.791 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.402 -12.196 -1.834 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.517 -14.026 -3.073 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.644 -12.702 -2.694 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.988 -12.869 -4.340 1.00 0.00 H new ATOM 1001 N GLU A 66 -0.184 -12.052 -4.884 1.00 0.00 N ATOM 1002 CA GLU A 66 0.974 -12.396 -5.710 1.00 0.00 C ATOM 1003 C GLU A 66 2.247 -11.717 -5.211 1.00 0.00 C ATOM 1004 O GLU A 66 3.334 -12.292 -5.292 1.00 0.00 O ATOM 1005 CB GLU A 66 0.727 -12.000 -7.163 1.00 0.00 C ATOM 1006 CG GLU A 66 0.043 -13.080 -7.980 1.00 0.00 C ATOM 1007 CD GLU A 66 -0.592 -12.536 -9.243 1.00 0.00 C ATOM 1008 OE1 GLU A 66 0.152 -12.056 -10.124 1.00 0.00 O ATOM 1009 OE2 GLU A 66 -1.835 -12.585 -9.348 1.00 0.00 O ATOM 0 H GLU A 66 -0.849 -11.424 -5.335 1.00 0.00 H new ATOM 0 HA GLU A 66 1.111 -13.475 -5.640 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.116 -11.097 -7.186 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.680 -11.752 -7.630 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.771 -13.847 -8.244 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.722 -13.562 -7.371 1.00 0.00 H new ATOM 1016 N TYR A 67 2.111 -10.490 -4.704 1.00 0.00 N ATOM 1017 CA TYR A 67 3.258 -9.736 -4.198 1.00 0.00 C ATOM 1018 C TYR A 67 4.011 -10.522 -3.126 1.00 0.00 C ATOM 1019 O TYR A 67 5.217 -10.345 -2.953 1.00 0.00 O ATOM 1020 CB TYR A 67 2.809 -8.393 -3.625 1.00 0.00 C ATOM 1021 CG TYR A 67 2.580 -7.317 -4.665 1.00 0.00 C ATOM 1022 CD1 TYR A 67 3.474 -7.123 -5.714 1.00 0.00 C ATOM 1023 CD2 TYR A 67 1.468 -6.490 -4.591 1.00 0.00 C ATOM 1024 CE1 TYR A 67 3.262 -6.135 -6.656 1.00 0.00 C ATOM 1025 CE2 TYR A 67 1.249 -5.503 -5.530 1.00 0.00 C ATOM 1026 CZ TYR A 67 2.147 -5.328 -6.558 1.00 0.00 C ATOM 1027 OH TYR A 67 1.927 -4.343 -7.493 1.00 0.00 O ATOM 0 H TYR A 67 1.220 -9.999 -4.633 1.00 0.00 H new ATOM 0 HA TYR A 67 3.931 -9.563 -5.038 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.887 -8.541 -3.063 1.00 0.00 H new ATOM 0 HB3 TYR A 67 3.561 -8.044 -2.917 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.347 -7.754 -5.793 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.762 -6.621 -3.784 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.965 -5.995 -7.464 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.377 -4.870 -5.459 1.00 0.00 H new ATOM 0 HH TYR A 67 2.658 -3.691 -7.459 1.00 0.00 H new ATOM 1037 N TYR A 68 3.297 -11.391 -2.409 1.00 0.00 N ATOM 1038 CA TYR A 68 3.910 -12.203 -1.361 1.00 0.00 C ATOM 1039 C TYR A 68 5.003 -13.097 -1.945 1.00 0.00 C ATOM 1040 O TYR A 68 6.016 -13.354 -1.295 1.00 0.00 O ATOM 1041 CB TYR A 68 2.855 -13.054 -0.648 1.00 0.00 C ATOM 1042 CG TYR A 68 1.763 -12.247 0.027 1.00 0.00 C ATOM 1043 CD1 TYR A 68 2.059 -11.087 0.736 1.00 0.00 C ATOM 1044 CD2 TYR A 68 0.435 -12.649 -0.044 1.00 0.00 C ATOM 1045 CE1 TYR A 68 1.062 -10.354 1.355 1.00 0.00 C ATOM 1046 CE2 TYR A 68 -0.566 -11.922 0.572 1.00 0.00 C ATOM 1047 CZ TYR A 68 -0.247 -10.775 1.270 1.00 0.00 C ATOM 1048 OH TYR A 68 -1.241 -10.048 1.888 1.00 0.00 O ATOM 0 H TYR A 68 2.297 -11.549 -2.535 1.00 0.00 H new ATOM 0 HA TYR A 68 4.362 -11.531 -0.632 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.399 -13.729 -1.372 1.00 0.00 H new ATOM 0 HB3 TYR A 68 3.349 -13.675 0.100 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.084 -10.753 0.804 1.00 0.00 H new ATOM 0 HD2 TYR A 68 0.180 -13.545 -0.590 1.00 0.00 H new ATOM 0 HE1 TYR A 68 1.309 -9.456 1.902 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -1.593 -12.250 0.507 1.00 0.00 H new ATOM 0 HH TYR A 68 -2.107 -10.479 1.731 1.00 0.00 H new ATOM 1058 N GLU A 69 4.793 -13.557 -3.179 1.00 0.00 N ATOM 1059 CA GLU A 69 5.764 -14.411 -3.857 1.00 0.00 C ATOM 1060 C GLU A 69 6.761 -13.575 -4.663 1.00 0.00 C ATOM 1061 O GLU A 69 7.941 -13.917 -4.748 1.00 0.00 O ATOM 1062 CB GLU A 69 5.053 -15.403 -4.782 1.00 0.00 C ATOM 1063 CG GLU A 69 5.750 -16.754 -4.875 1.00 0.00 C ATOM 1064 CD GLU A 69 5.154 -17.794 -3.943 1.00 0.00 C ATOM 1065 OE1 GLU A 69 4.826 -17.443 -2.789 1.00 0.00 O ATOM 1066 OE2 GLU A 69 5.017 -18.960 -4.368 1.00 0.00 O ATOM 0 H GLU A 69 3.958 -13.351 -3.728 1.00 0.00 H new ATOM 0 HA GLU A 69 6.311 -14.965 -3.094 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.034 -15.553 -4.426 1.00 0.00 H new ATOM 0 HB3 GLU A 69 4.982 -14.970 -5.780 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.691 -17.117 -5.901 1.00 0.00 H new ATOM 0 HG3 GLU A 69 6.807 -16.628 -4.642 1.00 0.00 H new ATOM 1073 N GLU A 70 6.277 -12.484 -5.259 1.00 0.00 N ATOM 1074 CA GLU A 70 7.125 -11.603 -6.066 1.00 0.00 C ATOM 1075 C GLU A 70 8.103 -10.807 -5.200 1.00 0.00 C ATOM 1076 O GLU A 70 9.230 -10.537 -5.618 1.00 0.00 O ATOM 1077 CB GLU A 70 6.263 -10.642 -6.890 1.00 0.00 C ATOM 1078 CG GLU A 70 5.915 -11.169 -8.273 1.00 0.00 C ATOM 1079 CD GLU A 70 4.541 -11.811 -8.320 1.00 0.00 C ATOM 1080 OE1 GLU A 70 4.431 -13.006 -7.974 1.00 0.00 O ATOM 1081 OE2 GLU A 70 3.575 -11.116 -8.697 1.00 0.00 O ATOM 0 H GLU A 70 5.303 -12.189 -5.198 1.00 0.00 H new ATOM 0 HA GLU A 70 7.707 -12.236 -6.736 1.00 0.00 H new ATOM 0 HB2 GLU A 70 5.341 -10.437 -6.346 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.789 -9.693 -6.994 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.955 -10.350 -8.991 1.00 0.00 H new ATOM 0 HG3 GLU A 70 6.664 -11.899 -8.580 1.00 0.00 H new ATOM 1088 N ALA A 71 7.671 -10.428 -3.998 1.00 0.00 N ATOM 1089 CA ALA A 71 8.519 -9.662 -3.091 1.00 0.00 C ATOM 1090 C ALA A 71 9.288 -10.579 -2.144 1.00 0.00 C ATOM 1091 O ALA A 71 8.812 -11.657 -1.781 1.00 0.00 O ATOM 1092 CB ALA A 71 7.685 -8.659 -2.308 1.00 0.00 C ATOM 0 H ALA A 71 6.742 -10.639 -3.632 1.00 0.00 H new ATOM 0 HA ALA A 71 9.249 -9.118 -3.690 1.00 0.00 H new ATOM 0 HB1 ALA A 71 8.331 -8.095 -1.635 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.195 -7.974 -3.000 1.00 0.00 H new ATOM 0 HB3 ALA A 71 6.930 -9.189 -1.727 1.00 0.00 H new ATOM 1098 N GLY A 72 10.484 -10.140 -1.752 1.00 0.00 N ATOM 1099 CA GLY A 72 11.312 -10.926 -0.854 1.00 0.00 C ATOM 1100 C GLY A 72 11.273 -10.422 0.576 1.00 0.00 C ATOM 1101 O GLY A 72 12.316 -10.131 1.164 1.00 0.00 O ATOM 0 H GLY A 72 10.893 -9.252 -2.042 1.00 0.00 H new ATOM 0 HA2 GLY A 72 10.981 -11.964 -0.877 1.00 0.00 H new ATOM 0 HA3 GLY A 72 12.342 -10.912 -1.211 1.00 0.00 H new ATOM 1105 N ILE A 73 10.069 -10.323 1.138 1.00 0.00 N ATOM 1106 CA ILE A 73 9.900 -9.854 2.513 1.00 0.00 C ATOM 1107 C ILE A 73 10.602 -10.780 3.511 1.00 0.00 C ATOM 1108 O ILE A 73 11.104 -10.326 4.540 1.00 0.00 O ATOM 1109 CB ILE A 73 8.405 -9.728 2.890 1.00 0.00 C ATOM 1110 CG1 ILE A 73 8.252 -9.085 4.274 1.00 0.00 C ATOM 1111 CG2 ILE A 73 7.718 -11.089 2.849 1.00 0.00 C ATOM 1112 CD1 ILE A 73 7.917 -7.610 4.222 1.00 0.00 C ATOM 0 H ILE A 73 9.198 -10.561 0.664 1.00 0.00 H new ATOM 0 HA ILE A 73 10.359 -8.867 2.565 1.00 0.00 H new ATOM 0 HB ILE A 73 7.921 -9.084 2.156 1.00 0.00 H new ATOM 0 HG12 ILE A 73 7.469 -9.608 4.824 1.00 0.00 H new ATOM 0 HG13 ILE A 73 9.178 -9.219 4.832 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.668 -10.975 3.118 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.792 -11.504 1.844 1.00 0.00 H new ATOM 0 HG23 ILE A 73 8.202 -11.762 3.556 1.00 0.00 H new ATOM 0 HD11 ILE A 73 7.824 -7.222 5.236 1.00 0.00 H new ATOM 0 HD12 ILE A 73 8.710 -7.075 3.700 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.975 -7.469 3.692 1.00 0.00 H new ATOM 1124 N HIS A 74 10.639 -12.075 3.197 1.00 0.00 N ATOM 1125 CA HIS A 74 11.284 -13.059 4.061 1.00 0.00 C ATOM 1126 C HIS A 74 12.606 -13.524 3.451 1.00 0.00 C ATOM 1127 O HIS A 74 12.646 -14.513 2.717 1.00 0.00 O ATOM 1128 CB HIS A 74 10.361 -14.262 4.287 1.00 0.00 C ATOM 1129 CG HIS A 74 9.460 -14.121 5.476 1.00 0.00 C ATOM 1130 ND1 HIS A 74 8.111 -14.410 5.440 1.00 0.00 N ATOM 1131 CD2 HIS A 74 9.722 -13.719 6.743 1.00 0.00 C ATOM 1132 CE1 HIS A 74 7.584 -14.195 6.633 1.00 0.00 C ATOM 1133 NE2 HIS A 74 8.541 -13.776 7.441 1.00 0.00 N ATOM 0 H HIS A 74 10.229 -12.466 2.349 1.00 0.00 H new ATOM 0 HA HIS A 74 11.488 -12.586 5.022 1.00 0.00 H new ATOM 0 HB2 HIS A 74 9.750 -14.411 3.396 1.00 0.00 H new ATOM 0 HB3 HIS A 74 10.971 -15.157 4.409 1.00 0.00 H new ATOM 0 HD2 HIS A 74 10.681 -13.411 7.132 1.00 0.00 H new ATOM 0 HE1 HIS A 74 6.548 -14.338 6.901 1.00 0.00 H new ATOM 0 HE2 HIS A 74 8.422 -13.534 8.425 1.00 0.00 H new ATOM 1142 N PRO A 75 13.711 -12.808 3.741 1.00 0.00 N ATOM 1143 CA PRO A 75 15.038 -13.148 3.212 1.00 0.00 C ATOM 1144 C PRO A 75 15.597 -14.436 3.814 1.00 0.00 C ATOM 1145 O PRO A 75 15.933 -14.482 4.999 1.00 0.00 O ATOM 1146 CB PRO A 75 15.902 -11.951 3.616 1.00 0.00 C ATOM 1147 CG PRO A 75 15.222 -11.379 4.811 1.00 0.00 C ATOM 1148 CD PRO A 75 13.753 -11.609 4.600 1.00 0.00 C ATOM 0 HA PRO A 75 15.010 -13.328 2.137 1.00 0.00 H new ATOM 0 HB2 PRO A 75 16.921 -12.259 3.850 1.00 0.00 H new ATOM 0 HB3 PRO A 75 15.967 -11.220 2.810 1.00 0.00 H new ATOM 0 HG2 PRO A 75 15.566 -11.864 5.725 1.00 0.00 H new ATOM 0 HG3 PRO A 75 15.440 -10.316 4.913 1.00 0.00 H new ATOM 0 HD2 PRO A 75 13.233 -11.773 5.544 1.00 0.00 H new ATOM 0 HD3 PRO A 75 13.278 -10.754 4.119 1.00 0.00 H new ATOM 1156 N PRO A 76 15.707 -15.505 3.000 1.00 0.00 N ATOM 1157 CA PRO A 76 16.232 -16.794 3.459 1.00 0.00 C ATOM 1158 C PRO A 76 17.736 -16.752 3.714 1.00 0.00 C ATOM 1159 O PRO A 76 18.375 -15.710 3.554 1.00 0.00 O ATOM 1160 CB PRO A 76 15.916 -17.740 2.299 1.00 0.00 C ATOM 1161 CG PRO A 76 15.871 -16.861 1.098 1.00 0.00 C ATOM 1162 CD PRO A 76 15.332 -15.539 1.573 1.00 0.00 C ATOM 0 HA PRO A 76 15.790 -17.097 4.408 1.00 0.00 H new ATOM 0 HB2 PRO A 76 16.680 -18.511 2.197 1.00 0.00 H new ATOM 0 HB3 PRO A 76 14.965 -18.251 2.452 1.00 0.00 H new ATOM 0 HG2 PRO A 76 16.863 -16.744 0.662 1.00 0.00 H new ATOM 0 HG3 PRO A 76 15.232 -17.288 0.325 1.00 0.00 H new ATOM 0 HD2 PRO A 76 15.770 -14.706 1.023 1.00 0.00 H new ATOM 0 HD3 PRO A 76 14.252 -15.475 1.440 1.00 0.00 H new ATOM 1170 N GLU A 77 18.293 -17.894 4.105 1.00 0.00 N ATOM 1171 CA GLU A 77 19.723 -17.996 4.379 1.00 0.00 C ATOM 1172 C GLU A 77 20.159 -19.457 4.498 1.00 0.00 C ATOM 1173 O GLU A 77 21.004 -19.918 3.730 1.00 0.00 O ATOM 1174 CB GLU A 77 20.083 -17.222 5.652 1.00 0.00 C ATOM 1175 CG GLU A 77 20.692 -15.855 5.378 1.00 0.00 C ATOM 1176 CD GLU A 77 21.804 -15.501 6.348 1.00 0.00 C ATOM 1177 OE1 GLU A 77 22.711 -16.337 6.546 1.00 0.00 O ATOM 1178 OE2 GLU A 77 21.767 -14.386 6.910 1.00 0.00 O ATOM 0 H GLU A 77 17.776 -18.763 4.239 1.00 0.00 H new ATOM 0 HA GLU A 77 20.259 -17.553 3.539 1.00 0.00 H new ATOM 0 HB2 GLU A 77 19.186 -17.097 6.258 1.00 0.00 H new ATOM 0 HB3 GLU A 77 20.785 -17.813 6.241 1.00 0.00 H new ATOM 0 HG2 GLU A 77 21.083 -15.834 4.361 1.00 0.00 H new ATOM 0 HG3 GLU A 77 19.911 -15.097 5.435 1.00 0.00 H new ATOM 1185 N PRO A 78 19.588 -20.211 5.461 1.00 0.00 N ATOM 1186 CA PRO A 78 19.929 -21.625 5.664 1.00 0.00 C ATOM 1187 C PRO A 78 19.353 -22.525 4.570 1.00 0.00 C ATOM 1188 O PRO A 78 18.493 -23.371 4.830 1.00 0.00 O ATOM 1189 CB PRO A 78 19.298 -21.944 7.021 1.00 0.00 C ATOM 1190 CG PRO A 78 18.144 -21.009 7.126 1.00 0.00 C ATOM 1191 CD PRO A 78 18.568 -19.747 6.424 1.00 0.00 C ATOM 0 HA PRO A 78 21.004 -21.800 5.629 1.00 0.00 H new ATOM 0 HB2 PRO A 78 18.973 -22.983 7.073 1.00 0.00 H new ATOM 0 HB3 PRO A 78 20.008 -21.791 7.834 1.00 0.00 H new ATOM 0 HG2 PRO A 78 17.254 -21.434 6.662 1.00 0.00 H new ATOM 0 HG3 PRO A 78 17.896 -20.811 8.169 1.00 0.00 H new ATOM 0 HD2 PRO A 78 17.729 -19.268 5.920 1.00 0.00 H new ATOM 0 HD3 PRO A 78 18.979 -19.018 7.123 1.00 0.00 H new ATOM 1199 N ILE A 79 19.834 -22.335 3.344 1.00 0.00 N ATOM 1200 CA ILE A 79 19.376 -23.124 2.206 1.00 0.00 C ATOM 1201 C ILE A 79 20.549 -23.523 1.311 1.00 0.00 C ATOM 1202 O ILE A 79 20.873 -22.832 0.343 1.00 0.00 O ATOM 1203 CB ILE A 79 18.323 -22.360 1.369 1.00 0.00 C ATOM 1204 CG1 ILE A 79 18.799 -20.935 1.064 1.00 0.00 C ATOM 1205 CG2 ILE A 79 16.985 -22.331 2.097 1.00 0.00 C ATOM 1206 CD1 ILE A 79 18.426 -20.457 -0.323 1.00 0.00 C ATOM 0 H ILE A 79 20.543 -21.639 3.114 1.00 0.00 H new ATOM 0 HA ILE A 79 18.910 -24.023 2.609 1.00 0.00 H new ATOM 0 HB ILE A 79 18.193 -22.885 0.423 1.00 0.00 H new ATOM 0 HG12 ILE A 79 18.374 -20.253 1.801 1.00 0.00 H new ATOM 0 HG13 ILE A 79 19.882 -20.891 1.176 1.00 0.00 H new ATOM 0 HG21 ILE A 79 16.255 -21.790 1.495 1.00 0.00 H new ATOM 0 HG22 ILE A 79 16.637 -23.351 2.259 1.00 0.00 H new ATOM 0 HG23 ILE A 79 17.105 -21.831 3.058 1.00 0.00 H new ATOM 0 HD11 ILE A 79 18.795 -19.442 -0.469 1.00 0.00 H new ATOM 0 HD12 ILE A 79 18.873 -21.116 -1.067 1.00 0.00 H new ATOM 0 HD13 ILE A 79 17.342 -20.469 -0.432 1.00 0.00 H new ATOM 1218 N ALA A 80 21.185 -24.646 1.651 1.00 0.00 N ATOM 1219 CA ALA A 80 22.330 -25.155 0.897 1.00 0.00 C ATOM 1220 C ALA A 80 23.458 -24.125 0.836 1.00 0.00 C ATOM 1221 O ALA A 80 23.677 -23.484 -0.195 1.00 0.00 O ATOM 1222 CB ALA A 80 21.906 -25.574 -0.505 1.00 0.00 C ATOM 0 H ALA A 80 20.923 -25.223 2.450 1.00 0.00 H new ATOM 0 HA ALA A 80 22.710 -26.033 1.420 1.00 0.00 H new ATOM 0 HB1 ALA A 80 22.772 -25.950 -1.050 1.00 0.00 H new ATOM 0 HB2 ALA A 80 21.151 -26.358 -0.438 1.00 0.00 H new ATOM 0 HB3 ALA A 80 21.491 -24.715 -1.032 1.00 0.00 H new ATOM 1228 N ALA A 81 24.170 -23.973 1.955 1.00 0.00 N ATOM 1229 CA ALA A 81 25.281 -23.026 2.051 1.00 0.00 C ATOM 1230 C ALA A 81 24.806 -21.586 1.861 1.00 0.00 C ATOM 1231 O ALA A 81 23.604 -21.325 1.766 1.00 0.00 O ATOM 1232 CB ALA A 81 26.363 -23.373 1.037 1.00 0.00 C ATOM 0 H ALA A 81 23.994 -24.498 2.812 1.00 0.00 H new ATOM 0 HA ALA A 81 25.702 -23.105 3.053 1.00 0.00 H new ATOM 0 HB1 ALA A 81 27.183 -22.659 1.121 1.00 0.00 H new ATOM 0 HB2 ALA A 81 26.736 -24.378 1.232 1.00 0.00 H new ATOM 0 HB3 ALA A 81 25.946 -23.330 0.031 1.00 0.00 H new ATOM 1238 N ALA A 82 25.756 -20.652 1.814 1.00 0.00 N ATOM 1239 CA ALA A 82 25.434 -19.239 1.641 1.00 0.00 C ATOM 1240 C ALA A 82 26.691 -18.412 1.381 1.00 0.00 C ATOM 1241 O ALA A 82 27.714 -18.597 2.044 1.00 0.00 O ATOM 1242 CB ALA A 82 24.698 -18.717 2.867 1.00 0.00 C ATOM 0 H ALA A 82 26.753 -20.850 1.893 1.00 0.00 H new ATOM 0 HA ALA A 82 24.786 -19.142 0.770 1.00 0.00 H new ATOM 0 HB1 ALA A 82 24.462 -17.662 2.728 1.00 0.00 H new ATOM 0 HB2 ALA A 82 23.775 -19.280 3.004 1.00 0.00 H new ATOM 0 HB3 ALA A 82 25.329 -18.835 3.748 1.00 0.00 H new ATOM 1248 N ALA A 83 26.604 -17.498 0.411 1.00 0.00 N ATOM 1249 CA ALA A 83 27.727 -16.631 0.053 1.00 0.00 C ATOM 1250 C ALA A 83 28.944 -17.442 -0.388 1.00 0.00 C ATOM 1251 O ALA A 83 29.917 -16.891 -0.902 1.00 0.00 O ATOM 1252 CB ALA A 83 28.089 -15.724 1.219 1.00 0.00 C ATOM 0 H ALA A 83 25.762 -17.340 -0.143 1.00 0.00 H new ATOM 0 HA ALA A 83 27.415 -16.016 -0.791 1.00 0.00 H new ATOM 0 HB1 ALA A 83 28.926 -15.085 0.937 1.00 0.00 H new ATOM 0 HB2 ALA A 83 27.231 -15.104 1.478 1.00 0.00 H new ATOM 0 HB3 ALA A 83 28.370 -16.332 2.079 1.00 0.00 H new TER 1258 ALA A 83 HETATM 1259 ZN ZN A 84 -0.789 14.863 2.379 1.00 0.00 ZN