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 -157:sc= -1.2 (180deg=-1.7) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 6:sc= 1.14 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -109:sc= -4.18! (180deg=-6.89!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.00878 USER MOD Single : A 19 ASN : amide:sc= -0.181 K(o=-0.18,f=-2.7!) USER MOD Single : A 20 GLN : amide:sc= -4.86! C(o=-4.9!,f=-6.1!) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.199 USER MOD Single : A 24 TYR OH : rot 30:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 39 MET CE :methyl -175:sc= -0.891 (180deg=-1.14) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -124:sc= 0.867 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0254) USER MOD Single : A 67 TYR OH : rot -160:sc= 0.00252 USER MOD Single : A 68 TYR OH : rot 90:sc= -0.538 USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.945 4.992 13.557 1.00 0.00 N ATOM 2 CA MET A 1 -16.673 5.399 14.214 1.00 0.00 C ATOM 3 C MET A 1 -15.633 5.844 13.184 1.00 0.00 C ATOM 4 O MET A 1 -15.193 6.993 13.198 1.00 0.00 O ATOM 5 CB MET A 1 -16.141 4.218 15.035 1.00 0.00 C ATOM 6 CG MET A 1 -15.314 4.638 16.240 1.00 0.00 C ATOM 7 SD MET A 1 -16.266 4.639 17.772 1.00 0.00 S ATOM 8 CE MET A 1 -15.886 6.270 18.409 1.00 0.00 C ATOM 0 H1 MET A 1 -18.630 4.696 14.281 1.00 0.00 H new ATOM 0 H2 MET A 1 -18.332 5.796 13.022 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.763 4.200 12.908 1.00 0.00 H new ATOM 0 HA MET A 1 -16.867 6.249 14.868 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.982 3.614 15.375 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.533 3.583 14.391 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.465 3.963 16.345 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.909 5.635 16.068 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.404 6.420 19.356 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.811 6.358 18.565 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.212 7.025 17.694 1.00 0.00 H new ATOM 20 N VAL A 2 -15.246 4.928 12.294 1.00 0.00 N ATOM 21 CA VAL A 2 -14.258 5.235 11.262 1.00 0.00 C ATOM 22 C VAL A 2 -14.905 5.934 10.066 1.00 0.00 C ATOM 23 O VAL A 2 -15.773 5.371 9.396 1.00 0.00 O ATOM 24 CB VAL A 2 -13.516 3.964 10.783 1.00 0.00 C ATOM 25 CG1 VAL A 2 -14.484 2.965 10.158 1.00 0.00 C ATOM 26 CG2 VAL A 2 -12.406 4.327 9.805 1.00 0.00 C ATOM 0 H VAL A 2 -15.601 3.972 12.268 1.00 0.00 H new ATOM 0 HA VAL A 2 -13.530 5.909 11.714 1.00 0.00 H new ATOM 0 HB VAL A 2 -13.064 3.490 11.654 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -13.935 2.082 9.831 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -15.233 2.674 10.895 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -14.977 3.424 9.301 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -11.896 3.420 9.480 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -12.835 4.832 8.940 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -11.692 4.989 10.295 1.00 0.00 H new ATOM 36 N SER A 3 -14.474 7.167 9.807 1.00 0.00 N ATOM 37 CA SER A 3 -15.003 7.950 8.693 1.00 0.00 C ATOM 38 C SER A 3 -14.056 7.898 7.493 1.00 0.00 C ATOM 39 O SER A 3 -12.913 7.455 7.614 1.00 0.00 O ATOM 40 CB SER A 3 -15.224 9.400 9.128 1.00 0.00 C ATOM 41 OG SER A 3 -14.029 9.971 9.638 1.00 0.00 O ATOM 0 H SER A 3 -13.759 7.646 10.355 1.00 0.00 H new ATOM 0 HA SER A 3 -15.958 7.519 8.393 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.577 9.987 8.280 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.003 9.439 9.890 1.00 0.00 H new ATOM 0 HG SER A 3 -13.288 9.341 9.517 1.00 0.00 H new ATOM 47 N THR A 4 -14.539 8.353 6.336 1.00 0.00 N ATOM 48 CA THR A 4 -13.734 8.357 5.114 1.00 0.00 C ATOM 49 C THR A 4 -14.205 9.445 4.151 1.00 0.00 C ATOM 50 O THR A 4 -15.358 9.879 4.206 1.00 0.00 O ATOM 51 CB THR A 4 -13.791 6.987 4.429 1.00 0.00 C ATOM 52 OG1 THR A 4 -15.059 6.379 4.613 1.00 0.00 O ATOM 53 CG2 THR A 4 -12.741 6.021 4.937 1.00 0.00 C ATOM 0 H THR A 4 -15.482 8.723 6.220 1.00 0.00 H new ATOM 0 HA THR A 4 -12.702 8.569 5.393 1.00 0.00 H new ATOM 0 HB THR A 4 -13.602 7.187 3.374 1.00 0.00 H new ATOM 0 HG1 THR A 4 -15.072 5.507 4.166 1.00 0.00 H new ATOM 0 HG21 THR A 4 -12.836 5.071 4.411 1.00 0.00 H new ATOM 0 HG22 THR A 4 -11.749 6.436 4.760 1.00 0.00 H new ATOM 0 HG23 THR A 4 -12.881 5.860 6.006 1.00 0.00 H new ATOM 61 N TYR A 5 -13.304 9.883 3.272 1.00 0.00 N ATOM 62 CA TYR A 5 -13.624 10.924 2.297 1.00 0.00 C ATOM 63 C TYR A 5 -13.766 10.344 0.892 1.00 0.00 C ATOM 64 O TYR A 5 -14.876 10.223 0.371 1.00 0.00 O ATOM 65 CB TYR A 5 -12.548 12.016 2.309 1.00 0.00 C ATOM 66 CG TYR A 5 -12.606 12.918 3.522 1.00 0.00 C ATOM 67 CD1 TYR A 5 -13.787 13.556 3.882 1.00 0.00 C ATOM 68 CD2 TYR A 5 -11.479 13.135 4.304 1.00 0.00 C ATOM 69 CE1 TYR A 5 -13.843 14.381 4.989 1.00 0.00 C ATOM 70 CE2 TYR A 5 -11.527 13.959 5.411 1.00 0.00 C ATOM 71 CZ TYR A 5 -12.711 14.580 5.748 1.00 0.00 C ATOM 72 OH TYR A 5 -12.762 15.402 6.851 1.00 0.00 O ATOM 0 H TYR A 5 -12.348 9.533 3.215 1.00 0.00 H new ATOM 0 HA TYR A 5 -14.581 11.363 2.581 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -11.566 11.545 2.265 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -12.651 12.624 1.410 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -14.675 13.405 3.287 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -10.550 12.651 4.042 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -14.769 14.867 5.258 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -10.642 14.116 6.010 1.00 0.00 H new ATOM 0 HH TYR A 5 -11.880 15.434 7.276 1.00 0.00 H new ATOM 82 N ASP A 6 -12.634 9.993 0.285 1.00 0.00 N ATOM 83 CA ASP A 6 -12.624 9.431 -1.064 1.00 0.00 C ATOM 84 C ASP A 6 -11.758 8.172 -1.131 1.00 0.00 C ATOM 85 O ASP A 6 -11.021 7.861 -0.191 1.00 0.00 O ATOM 86 CB ASP A 6 -12.115 10.473 -2.066 1.00 0.00 C ATOM 87 CG ASP A 6 -12.814 10.378 -3.409 1.00 0.00 C ATOM 88 OD1 ASP A 6 -14.006 10.742 -3.486 1.00 0.00 O ATOM 89 OD2 ASP A 6 -12.168 9.939 -4.384 1.00 0.00 O ATOM 0 H ASP A 6 -11.710 10.088 0.707 1.00 0.00 H new ATOM 0 HA ASP A 6 -13.646 9.154 -1.323 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -12.262 11.471 -1.653 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -11.042 10.342 -2.208 1.00 0.00 H new ATOM 94 N GLU A 7 -11.853 7.453 -2.250 1.00 0.00 N ATOM 95 CA GLU A 7 -11.081 6.229 -2.444 1.00 0.00 C ATOM 96 C GLU A 7 -9.930 6.450 -3.426 1.00 0.00 C ATOM 97 O GLU A 7 -10.093 7.111 -4.453 1.00 0.00 O ATOM 98 CB GLU A 7 -11.985 5.093 -2.940 1.00 0.00 C ATOM 99 CG GLU A 7 -12.881 5.479 -4.109 1.00 0.00 C ATOM 100 CD GLU A 7 -13.169 4.315 -5.039 1.00 0.00 C ATOM 101 OE1 GLU A 7 -12.203 3.701 -5.543 1.00 0.00 O ATOM 102 OE2 GLU A 7 -14.361 4.018 -5.267 1.00 0.00 O ATOM 0 H GLU A 7 -12.457 7.698 -3.034 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.658 5.948 -1.479 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -11.361 4.250 -3.237 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.609 4.753 -2.114 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.822 5.873 -3.725 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -12.407 6.281 -4.675 1.00 0.00 H new ATOM 109 N ILE A 8 -8.767 5.886 -3.100 1.00 0.00 N ATOM 110 CA ILE A 8 -7.582 6.011 -3.943 1.00 0.00 C ATOM 111 C ILE A 8 -7.358 4.742 -4.768 1.00 0.00 C ATOM 112 O ILE A 8 -7.792 3.655 -4.384 1.00 0.00 O ATOM 113 CB ILE A 8 -6.318 6.299 -3.099 1.00 0.00 C ATOM 114 CG1 ILE A 8 -6.576 7.447 -2.116 1.00 0.00 C ATOM 115 CG2 ILE A 8 -5.133 6.625 -3.997 1.00 0.00 C ATOM 116 CD1 ILE A 8 -7.013 8.737 -2.780 1.00 0.00 C ATOM 0 H ILE A 8 -8.622 5.336 -2.253 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.757 6.851 -4.616 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.079 5.402 -2.528 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.342 7.138 -1.405 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.667 7.634 -1.544 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.255 6.824 -3.383 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.932 5.780 -4.655 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.363 7.505 -4.598 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.176 9.501 -2.019 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.238 9.071 -3.470 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.940 8.568 -3.329 1.00 0.00 H new ATOM 128 N GLU A 9 -6.676 4.892 -5.901 1.00 0.00 N ATOM 129 CA GLU A 9 -6.389 3.765 -6.784 1.00 0.00 C ATOM 130 C GLU A 9 -4.906 3.405 -6.745 1.00 0.00 C ATOM 131 O GLU A 9 -4.045 4.274 -6.894 1.00 0.00 O ATOM 132 CB GLU A 9 -6.809 4.099 -8.218 1.00 0.00 C ATOM 133 CG GLU A 9 -7.185 2.880 -9.045 1.00 0.00 C ATOM 134 CD GLU A 9 -7.616 3.240 -10.454 1.00 0.00 C ATOM 135 OE1 GLU A 9 -6.735 3.393 -11.326 1.00 0.00 O ATOM 136 OE2 GLU A 9 -8.837 3.371 -10.686 1.00 0.00 O ATOM 0 H GLU A 9 -6.311 5.786 -6.230 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.960 2.905 -6.435 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.657 4.783 -8.189 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -5.993 4.625 -8.713 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.334 2.201 -9.092 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.993 2.344 -8.548 1.00 0.00 H new ATOM 143 N ILE A 10 -4.617 2.116 -6.551 1.00 0.00 N ATOM 144 CA ILE A 10 -3.236 1.632 -6.500 1.00 0.00 C ATOM 145 C ILE A 10 -2.501 1.912 -7.814 1.00 0.00 C ATOM 146 O ILE A 10 -1.289 2.135 -7.819 1.00 0.00 O ATOM 147 CB ILE A 10 -3.173 0.118 -6.186 1.00 0.00 C ATOM 148 CG1 ILE A 10 -1.720 -0.336 -6.019 1.00 0.00 C ATOM 149 CG2 ILE A 10 -3.865 -0.693 -7.277 1.00 0.00 C ATOM 150 CD1 ILE A 10 -1.581 -1.761 -5.529 1.00 0.00 C ATOM 0 H ILE A 10 -5.321 1.389 -6.427 1.00 0.00 H new ATOM 0 HA ILE A 10 -2.742 2.175 -5.694 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.700 -0.056 -5.248 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.206 -0.238 -6.975 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.219 0.331 -5.318 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.807 -1.754 -7.034 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.911 -0.393 -7.346 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.372 -0.513 -8.232 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.524 -2.012 -5.435 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.066 -1.861 -4.558 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.053 -2.438 -6.241 1.00 0.00 H new ATOM 162 N GLU A 11 -3.244 1.905 -8.923 1.00 0.00 N ATOM 163 CA GLU A 11 -2.669 2.167 -10.241 1.00 0.00 C ATOM 164 C GLU A 11 -2.032 3.558 -10.298 1.00 0.00 C ATOM 165 O GLU A 11 -1.047 3.768 -11.006 1.00 0.00 O ATOM 166 CB GLU A 11 -3.746 2.043 -11.321 1.00 0.00 C ATOM 167 CG GLU A 11 -3.196 2.050 -12.740 1.00 0.00 C ATOM 168 CD GLU A 11 -3.892 1.051 -13.644 1.00 0.00 C ATOM 169 OE1 GLU A 11 -3.641 -0.163 -13.492 1.00 0.00 O ATOM 170 OE2 GLU A 11 -4.685 1.483 -14.506 1.00 0.00 O ATOM 0 H GLU A 11 -4.247 1.720 -8.933 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.890 1.426 -10.422 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.303 1.120 -11.162 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.454 2.865 -11.211 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.302 3.050 -13.161 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.129 1.827 -12.713 1.00 0.00 H new ATOM 177 N ASP A 12 -2.598 4.504 -9.544 1.00 0.00 N ATOM 178 CA ASP A 12 -2.082 5.870 -9.508 1.00 0.00 C ATOM 179 C ASP A 12 -1.145 6.075 -8.312 1.00 0.00 C ATOM 180 O ASP A 12 -1.133 7.142 -7.695 1.00 0.00 O ATOM 181 CB ASP A 12 -3.241 6.872 -9.450 1.00 0.00 C ATOM 182 CG ASP A 12 -2.957 8.136 -10.239 1.00 0.00 C ATOM 183 OD1 ASP A 12 -2.018 8.872 -9.868 1.00 0.00 O ATOM 184 OD2 ASP A 12 -3.675 8.392 -11.227 1.00 0.00 O ATOM 0 H ASP A 12 -3.413 4.347 -8.951 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.510 6.040 -10.420 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.144 6.401 -9.838 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.439 7.133 -8.411 1.00 0.00 H new ATOM 189 N MET A 13 -0.358 5.050 -7.992 1.00 0.00 N ATOM 190 CA MET A 13 0.582 5.122 -6.878 1.00 0.00 C ATOM 191 C MET A 13 1.982 4.721 -7.329 1.00 0.00 C ATOM 192 O MET A 13 2.147 3.749 -8.070 1.00 0.00 O ATOM 193 CB MET A 13 0.120 4.219 -5.732 1.00 0.00 C ATOM 194 CG MET A 13 -0.828 4.903 -4.762 1.00 0.00 C ATOM 195 SD MET A 13 -1.426 3.792 -3.474 1.00 0.00 S ATOM 196 CE MET A 13 -2.272 4.944 -2.394 1.00 0.00 C ATOM 0 H MET A 13 -0.353 4.160 -8.489 1.00 0.00 H new ATOM 0 HA MET A 13 0.614 6.152 -6.524 1.00 0.00 H new ATOM 0 HB2 MET A 13 -0.372 3.340 -6.149 1.00 0.00 H new ATOM 0 HB3 MET A 13 0.994 3.865 -5.185 1.00 0.00 H new ATOM 0 HG2 MET A 13 -0.320 5.749 -4.299 1.00 0.00 H new ATOM 0 HG3 MET A 13 -1.678 5.305 -5.313 1.00 0.00 H new ATOM 0 HE1 MET A 13 -1.704 5.062 -1.471 1.00 0.00 H new ATOM 0 HE2 MET A 13 -2.362 5.910 -2.891 1.00 0.00 H new ATOM 0 HE3 MET A 13 -3.266 4.562 -2.161 1.00 0.00 H new ATOM 206 N THR A 14 2.987 5.474 -6.881 1.00 0.00 N ATOM 207 CA THR A 14 4.376 5.197 -7.243 1.00 0.00 C ATOM 208 C THR A 14 4.797 3.812 -6.755 1.00 0.00 C ATOM 209 O THR A 14 4.818 3.548 -5.551 1.00 0.00 O ATOM 210 CB THR A 14 5.313 6.263 -6.663 1.00 0.00 C ATOM 211 OG1 THR A 14 4.726 7.552 -6.743 1.00 0.00 O ATOM 212 CG2 THR A 14 6.654 6.325 -7.366 1.00 0.00 C ATOM 0 H THR A 14 2.865 6.280 -6.267 1.00 0.00 H new ATOM 0 HA THR A 14 4.449 5.222 -8.330 1.00 0.00 H new ATOM 0 HB THR A 14 5.475 5.970 -5.626 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.341 8.215 -6.366 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.270 7.099 -6.908 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.156 5.362 -7.277 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.502 6.559 -8.420 1.00 0.00 H new ATOM 220 N PHE A 15 5.128 2.934 -7.701 1.00 0.00 N ATOM 221 CA PHE A 15 5.548 1.574 -7.375 1.00 0.00 C ATOM 222 C PHE A 15 7.049 1.519 -7.097 1.00 0.00 C ATOM 223 O PHE A 15 7.849 2.084 -7.845 1.00 0.00 O ATOM 224 CB PHE A 15 5.192 0.604 -8.511 1.00 0.00 C ATOM 225 CG PHE A 15 5.625 1.068 -9.880 1.00 0.00 C ATOM 226 CD1 PHE A 15 6.930 0.883 -10.313 1.00 0.00 C ATOM 227 CD2 PHE A 15 4.724 1.686 -10.733 1.00 0.00 C ATOM 228 CE1 PHE A 15 7.326 1.306 -11.567 1.00 0.00 C ATOM 229 CE2 PHE A 15 5.116 2.112 -11.988 1.00 0.00 C ATOM 230 CZ PHE A 15 6.418 1.921 -12.406 1.00 0.00 C ATOM 0 H PHE A 15 5.113 3.141 -8.700 1.00 0.00 H new ATOM 0 HA PHE A 15 5.014 1.270 -6.475 1.00 0.00 H new ATOM 0 HB2 PHE A 15 5.652 -0.363 -8.305 1.00 0.00 H new ATOM 0 HB3 PHE A 15 4.113 0.449 -8.517 1.00 0.00 H new ATOM 0 HD1 PHE A 15 7.645 0.402 -9.662 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.703 1.836 -10.413 1.00 0.00 H new ATOM 0 HE1 PHE A 15 8.345 1.156 -11.891 1.00 0.00 H new ATOM 0 HE2 PHE A 15 4.404 2.594 -12.642 1.00 0.00 H new ATOM 0 HZ PHE A 15 6.726 2.252 -13.387 1.00 0.00 H new ATOM 240 N GLU A 16 7.422 0.835 -6.018 1.00 0.00 N ATOM 241 CA GLU A 16 8.824 0.703 -5.639 1.00 0.00 C ATOM 242 C GLU A 16 9.246 -0.764 -5.640 1.00 0.00 C ATOM 243 O GLU A 16 9.068 -1.473 -4.646 1.00 0.00 O ATOM 244 CB GLU A 16 9.069 1.318 -4.260 1.00 0.00 C ATOM 245 CG GLU A 16 10.154 2.384 -4.255 1.00 0.00 C ATOM 246 CD GLU A 16 10.015 3.354 -3.098 1.00 0.00 C ATOM 247 OE1 GLU A 16 9.181 4.284 -3.199 1.00 0.00 O ATOM 248 OE2 GLU A 16 10.739 3.186 -2.093 1.00 0.00 O ATOM 0 H GLU A 16 6.771 0.363 -5.391 1.00 0.00 H new ATOM 0 HA GLU A 16 9.425 1.240 -6.373 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.139 1.755 -3.896 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.344 0.527 -3.562 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.131 1.903 -4.205 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.119 2.937 -5.194 1.00 0.00 H new ATOM 255 N PRO A 17 9.814 -1.241 -6.763 1.00 0.00 N ATOM 256 CA PRO A 17 10.264 -2.634 -6.897 1.00 0.00 C ATOM 257 C PRO A 17 11.470 -2.964 -6.013 1.00 0.00 C ATOM 258 O PRO A 17 11.811 -4.135 -5.839 1.00 0.00 O ATOM 259 CB PRO A 17 10.640 -2.747 -8.376 1.00 0.00 C ATOM 260 CG PRO A 17 10.954 -1.355 -8.801 1.00 0.00 C ATOM 261 CD PRO A 17 10.059 -0.461 -7.991 1.00 0.00 C ATOM 0 HA PRO A 17 9.491 -3.334 -6.580 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.497 -3.405 -8.516 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.820 -3.163 -8.961 1.00 0.00 H new ATOM 0 HG2 PRO A 17 12.004 -1.120 -8.623 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.774 -1.223 -9.868 1.00 0.00 H new ATOM 0 HD2 PRO A 17 10.537 0.494 -7.772 1.00 0.00 H new ATOM 0 HD3 PRO A 17 9.131 -0.239 -8.517 1.00 0.00 H new ATOM 269 N GLU A 18 12.112 -1.931 -5.459 1.00 0.00 N ATOM 270 CA GLU A 18 13.278 -2.121 -4.597 1.00 0.00 C ATOM 271 C GLU A 18 12.961 -3.073 -3.442 1.00 0.00 C ATOM 272 O GLU A 18 13.755 -3.960 -3.129 1.00 0.00 O ATOM 273 CB GLU A 18 13.774 -0.774 -4.054 1.00 0.00 C ATOM 274 CG GLU A 18 12.773 -0.060 -3.149 1.00 0.00 C ATOM 275 CD GLU A 18 13.264 1.300 -2.686 1.00 0.00 C ATOM 276 OE1 GLU A 18 13.438 2.193 -3.541 1.00 0.00 O ATOM 277 OE2 GLU A 18 13.473 1.471 -1.467 1.00 0.00 O ATOM 0 H GLU A 18 11.843 -0.956 -5.593 1.00 0.00 H new ATOM 0 HA GLU A 18 14.069 -2.568 -5.200 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.698 -0.936 -3.499 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.017 -0.123 -4.894 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.830 0.062 -3.682 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.569 -0.683 -2.278 1.00 0.00 H new ATOM 284 N ASN A 19 11.797 -2.883 -2.818 1.00 0.00 N ATOM 285 CA ASN A 19 11.376 -3.729 -1.704 1.00 0.00 C ATOM 286 C ASN A 19 9.859 -3.955 -1.710 1.00 0.00 C ATOM 287 O ASN A 19 9.266 -4.248 -0.669 1.00 0.00 O ATOM 288 CB ASN A 19 11.809 -3.107 -0.372 1.00 0.00 C ATOM 289 CG ASN A 19 13.144 -3.642 0.121 1.00 0.00 C ATOM 290 OD1 ASN A 19 13.674 -4.616 -0.414 1.00 0.00 O ATOM 291 ND2 ASN A 19 13.697 -3.008 1.150 1.00 0.00 N ATOM 0 H ASN A 19 11.131 -2.151 -3.066 1.00 0.00 H new ATOM 0 HA ASN A 19 11.860 -4.698 -1.823 1.00 0.00 H new ATOM 0 HB2 ASN A 19 11.876 -2.025 -0.486 1.00 0.00 H new ATOM 0 HB3 ASN A 19 11.045 -3.301 0.380 1.00 0.00 H new ATOM 0 HD21 ASN A 19 14.592 -3.325 1.523 1.00 0.00 H new ATOM 0 HD22 ASN A 19 13.227 -2.204 1.566 1.00 0.00 H new ATOM 298 N GLN A 20 9.238 -3.828 -2.888 1.00 0.00 N ATOM 299 CA GLN A 20 7.796 -4.026 -3.036 1.00 0.00 C ATOM 300 C GLN A 20 6.999 -3.099 -2.112 1.00 0.00 C ATOM 301 O GLN A 20 6.360 -3.553 -1.159 1.00 0.00 O ATOM 302 CB GLN A 20 7.434 -5.488 -2.763 1.00 0.00 C ATOM 303 CG GLN A 20 6.166 -5.939 -3.466 1.00 0.00 C ATOM 304 CD GLN A 20 6.395 -6.254 -4.932 1.00 0.00 C ATOM 305 OE1 GLN A 20 6.909 -5.426 -5.686 1.00 0.00 O ATOM 306 NE2 GLN A 20 6.011 -7.454 -5.349 1.00 0.00 N ATOM 0 H GLN A 20 9.717 -3.588 -3.756 1.00 0.00 H new ATOM 0 HA GLN A 20 7.529 -3.776 -4.063 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.261 -6.124 -3.079 1.00 0.00 H new ATOM 0 HB3 GLN A 20 7.315 -5.630 -1.689 1.00 0.00 H new ATOM 0 HG2 GLN A 20 5.772 -6.823 -2.965 1.00 0.00 H new ATOM 0 HG3 GLN A 20 5.409 -5.159 -3.379 1.00 0.00 H new ATOM 0 HE21 GLN A 20 5.589 -8.111 -4.693 1.00 0.00 H new ATOM 0 HE22 GLN A 20 6.138 -7.719 -6.326 1.00 0.00 H new ATOM 315 N MET A 21 7.032 -1.800 -2.406 1.00 0.00 N ATOM 316 CA MET A 21 6.307 -0.816 -1.605 1.00 0.00 C ATOM 317 C MET A 21 5.703 0.275 -2.487 1.00 0.00 C ATOM 318 O MET A 21 6.240 0.599 -3.546 1.00 0.00 O ATOM 319 CB MET A 21 7.228 -0.195 -0.550 1.00 0.00 C ATOM 320 CG MET A 21 8.445 0.512 -1.126 1.00 0.00 C ATOM 321 SD MET A 21 9.455 1.293 0.148 1.00 0.00 S ATOM 322 CE MET A 21 10.666 0.010 0.453 1.00 0.00 C ATOM 0 H MET A 21 7.551 -1.406 -3.190 1.00 0.00 H new ATOM 0 HA MET A 21 5.493 -1.334 -1.098 1.00 0.00 H new ATOM 0 HB2 MET A 21 6.655 0.517 0.043 1.00 0.00 H new ATOM 0 HB3 MET A 21 7.564 -0.978 0.130 1.00 0.00 H new ATOM 0 HG2 MET A 21 9.052 -0.206 -1.677 1.00 0.00 H new ATOM 0 HG3 MET A 21 8.118 1.268 -1.840 1.00 0.00 H new ATOM 0 HE1 MET A 21 11.091 0.140 1.448 1.00 0.00 H new ATOM 0 HE2 MET A 21 10.186 -0.966 0.389 1.00 0.00 H new ATOM 0 HE3 MET A 21 11.459 0.074 -0.292 1.00 0.00 H new ATOM 332 N PHE A 22 4.579 0.836 -2.041 1.00 0.00 N ATOM 333 CA PHE A 22 3.895 1.891 -2.786 1.00 0.00 C ATOM 334 C PHE A 22 3.800 3.166 -1.955 1.00 0.00 C ATOM 335 O PHE A 22 3.624 3.111 -0.736 1.00 0.00 O ATOM 336 CB PHE A 22 2.493 1.432 -3.196 1.00 0.00 C ATOM 337 CG PHE A 22 2.468 0.594 -4.446 1.00 0.00 C ATOM 338 CD1 PHE A 22 3.203 -0.579 -4.529 1.00 0.00 C ATOM 339 CD2 PHE A 22 1.707 0.981 -5.537 1.00 0.00 C ATOM 340 CE1 PHE A 22 3.177 -1.350 -5.675 1.00 0.00 C ATOM 341 CE2 PHE A 22 1.676 0.214 -6.685 1.00 0.00 C ATOM 342 CZ PHE A 22 2.413 -0.953 -6.755 1.00 0.00 C ATOM 0 H PHE A 22 4.123 0.576 -1.166 1.00 0.00 H new ATOM 0 HA PHE A 22 4.476 2.103 -3.683 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.055 0.860 -2.378 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.863 2.309 -3.345 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.803 -0.894 -3.688 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.131 1.893 -5.489 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.753 -2.262 -5.726 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.076 0.526 -7.527 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.392 -1.553 -7.652 1.00 0.00 H new ATOM 352 N THR A 23 3.920 4.313 -2.621 1.00 0.00 N ATOM 353 CA THR A 23 3.850 5.606 -1.944 1.00 0.00 C ATOM 354 C THR A 23 2.809 6.515 -2.594 1.00 0.00 C ATOM 355 O THR A 23 2.599 6.469 -3.808 1.00 0.00 O ATOM 356 CB THR A 23 5.222 6.288 -1.956 1.00 0.00 C ATOM 357 OG1 THR A 23 5.643 6.557 -3.283 1.00 0.00 O ATOM 358 CG2 THR A 23 6.304 5.467 -1.283 1.00 0.00 C ATOM 0 H THR A 23 4.066 4.373 -3.629 1.00 0.00 H new ATOM 0 HA THR A 23 3.549 5.427 -0.912 1.00 0.00 H new ATOM 0 HB THR A 23 5.088 7.213 -1.394 1.00 0.00 H new ATOM 0 HG1 THR A 23 6.520 6.994 -3.266 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.250 6.007 -1.326 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.033 5.292 -0.242 1.00 0.00 H new ATOM 0 HG23 THR A 23 6.408 4.511 -1.796 1.00 0.00 H new ATOM 366 N TYR A 24 2.164 7.344 -1.775 1.00 0.00 N ATOM 367 CA TYR A 24 1.147 8.270 -2.262 1.00 0.00 C ATOM 368 C TYR A 24 1.334 9.651 -1.637 1.00 0.00 C ATOM 369 O TYR A 24 0.856 9.906 -0.531 1.00 0.00 O ATOM 370 CB TYR A 24 -0.254 7.738 -1.948 1.00 0.00 C ATOM 371 CG TYR A 24 -1.331 8.267 -2.873 1.00 0.00 C ATOM 372 CD1 TYR A 24 -1.204 8.163 -4.253 1.00 0.00 C ATOM 373 CD2 TYR A 24 -2.476 8.869 -2.365 1.00 0.00 C ATOM 374 CE1 TYR A 24 -2.184 8.643 -5.099 1.00 0.00 C ATOM 375 CE2 TYR A 24 -3.462 9.351 -3.205 1.00 0.00 C ATOM 376 CZ TYR A 24 -3.311 9.236 -4.571 1.00 0.00 C ATOM 377 OH TYR A 24 -4.292 9.712 -5.411 1.00 0.00 O ATOM 0 H TYR A 24 2.329 7.392 -0.770 1.00 0.00 H new ATOM 0 HA TYR A 24 1.256 8.359 -3.343 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.241 6.650 -2.006 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -0.510 7.999 -0.921 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -0.323 7.699 -4.671 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.597 8.962 -1.296 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.068 8.554 -6.169 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.346 9.815 -2.794 1.00 0.00 H new ATOM 0 HH TYR A 24 -4.308 9.177 -6.232 1.00 0.00 H new ATOM 387 N PRO A 25 2.042 10.560 -2.339 1.00 0.00 N ATOM 388 CA PRO A 25 2.296 11.923 -1.851 1.00 0.00 C ATOM 389 C PRO A 25 1.014 12.635 -1.427 1.00 0.00 C ATOM 390 O PRO A 25 0.319 13.233 -2.252 1.00 0.00 O ATOM 391 CB PRO A 25 2.932 12.621 -3.058 1.00 0.00 C ATOM 392 CG PRO A 25 3.548 11.521 -3.849 1.00 0.00 C ATOM 393 CD PRO A 25 2.654 10.327 -3.662 1.00 0.00 C ATOM 0 HA PRO A 25 2.927 11.929 -0.962 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.186 13.159 -3.643 1.00 0.00 H new ATOM 0 HB3 PRO A 25 3.679 13.350 -2.745 1.00 0.00 H new ATOM 0 HG2 PRO A 25 3.622 11.792 -4.902 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.559 11.310 -3.502 1.00 0.00 H new ATOM 0 HD2 PRO A 25 1.901 10.262 -4.447 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.219 9.395 -3.685 1.00 0.00 H new ATOM 401 N CYS A 26 0.703 12.559 -0.133 1.00 0.00 N ATOM 402 CA CYS A 26 -0.496 13.189 0.408 1.00 0.00 C ATOM 403 C CYS A 26 -0.409 14.709 0.292 1.00 0.00 C ATOM 404 O CYS A 26 0.627 15.305 0.596 1.00 0.00 O ATOM 405 CB CYS A 26 -0.698 12.785 1.873 1.00 0.00 C ATOM 406 SG CYS A 26 -2.311 13.277 2.569 1.00 0.00 S ATOM 0 H CYS A 26 1.267 12.066 0.559 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.351 12.846 -0.174 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.593 11.703 1.958 1.00 0.00 H new ATOM 0 HB3 CYS A 26 0.095 13.230 2.474 1.00 0.00 H new ATOM 411 N PRO A 27 -1.506 15.360 -0.146 1.00 0.00 N ATOM 412 CA PRO A 27 -1.556 16.821 -0.296 1.00 0.00 C ATOM 413 C PRO A 27 -1.311 17.563 1.021 1.00 0.00 C ATOM 414 O PRO A 27 -1.002 18.756 1.012 1.00 0.00 O ATOM 415 CB PRO A 27 -2.979 17.093 -0.801 1.00 0.00 C ATOM 416 CG PRO A 27 -3.756 15.866 -0.466 1.00 0.00 C ATOM 417 CD PRO A 27 -2.780 14.727 -0.525 1.00 0.00 C ATOM 0 HA PRO A 27 -0.775 17.175 -0.970 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.406 17.973 -0.319 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.986 17.282 -1.874 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.203 15.946 0.525 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.573 15.717 -1.172 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.053 13.926 0.163 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.732 14.289 -1.522 1.00 0.00 H new ATOM 425 N CYS A 28 -1.447 16.857 2.149 1.00 0.00 N ATOM 426 CA CYS A 28 -1.232 17.463 3.463 1.00 0.00 C ATOM 427 C CYS A 28 0.185 18.034 3.589 1.00 0.00 C ATOM 428 O CYS A 28 0.405 19.013 4.306 1.00 0.00 O ATOM 429 CB CYS A 28 -1.486 16.436 4.574 1.00 0.00 C ATOM 430 SG CYS A 28 -0.076 15.339 4.928 1.00 0.00 S ATOM 0 H CYS A 28 -1.704 15.870 2.176 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.939 18.285 3.569 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.755 16.967 5.487 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -2.345 15.825 4.296 1.00 0.00 H new ATOM 435 N GLY A 29 1.140 17.417 2.889 1.00 0.00 N ATOM 436 CA GLY A 29 2.518 17.876 2.939 1.00 0.00 C ATOM 437 C GLY A 29 3.529 16.739 3.012 1.00 0.00 C ATOM 438 O GLY A 29 4.720 16.956 2.781 1.00 0.00 O ATOM 0 H GLY A 29 0.981 16.608 2.289 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.725 18.481 2.056 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.647 18.524 3.806 1.00 0.00 H new ATOM 442 N ASP A 30 3.061 15.530 3.335 1.00 0.00 N ATOM 443 CA ASP A 30 3.942 14.369 3.438 1.00 0.00 C ATOM 444 C ASP A 30 3.627 13.335 2.350 1.00 0.00 C ATOM 445 O ASP A 30 2.916 13.630 1.388 1.00 0.00 O ATOM 446 CB ASP A 30 3.810 13.736 4.828 1.00 0.00 C ATOM 447 CG ASP A 30 5.140 13.285 5.407 1.00 0.00 C ATOM 448 OD1 ASP A 30 6.055 12.945 4.623 1.00 0.00 O ATOM 449 OD2 ASP A 30 5.268 13.267 6.649 1.00 0.00 O ATOM 0 H ASP A 30 2.079 15.332 3.529 1.00 0.00 H new ATOM 0 HA ASP A 30 4.969 14.705 3.292 1.00 0.00 H new ATOM 0 HB2 ASP A 30 3.351 14.455 5.506 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.138 12.880 4.768 1.00 0.00 H new ATOM 454 N ARG A 31 4.168 12.125 2.508 1.00 0.00 N ATOM 455 CA ARG A 31 3.953 11.049 1.545 1.00 0.00 C ATOM 456 C ARG A 31 3.496 9.770 2.244 1.00 0.00 C ATOM 457 O ARG A 31 3.803 9.548 3.417 1.00 0.00 O ATOM 458 CB ARG A 31 5.241 10.781 0.767 1.00 0.00 C ATOM 459 CG ARG A 31 5.036 9.957 -0.497 1.00 0.00 C ATOM 460 CD ARG A 31 6.358 9.634 -1.182 1.00 0.00 C ATOM 461 NE ARG A 31 7.358 9.118 -0.244 1.00 0.00 N ATOM 462 CZ ARG A 31 8.223 9.886 0.430 1.00 0.00 C ATOM 463 NH1 ARG A 31 8.227 11.208 0.265 1.00 0.00 N ATOM 464 NH2 ARG A 31 9.084 9.329 1.274 1.00 0.00 N ATOM 0 H ARG A 31 4.760 11.868 3.298 1.00 0.00 H new ATOM 0 HA ARG A 31 3.169 11.362 0.855 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.697 11.734 0.498 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.946 10.263 1.417 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.520 9.030 -0.247 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.393 10.503 -1.187 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.187 8.899 -1.968 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.744 10.532 -1.664 1.00 0.00 H new ATOM 0 HE ARG A 31 7.398 8.110 -0.095 1.00 0.00 H new ATOM 0 HH11 ARG A 31 7.567 11.644 -0.379 1.00 0.00 H new ATOM 0 HH12 ARG A 31 8.890 11.785 0.783 1.00 0.00 H new ATOM 0 HH21 ARG A 31 9.085 8.318 1.408 1.00 0.00 H new ATOM 0 HH22 ARG A 31 9.744 9.912 1.788 1.00 0.00 H new ATOM 478 N PHE A 32 2.768 8.929 1.510 1.00 0.00 N ATOM 479 CA PHE A 32 2.268 7.665 2.048 1.00 0.00 C ATOM 480 C PHE A 32 3.258 6.528 1.791 1.00 0.00 C ATOM 481 O PHE A 32 4.193 6.670 0.999 1.00 0.00 O ATOM 482 CB PHE A 32 0.916 7.319 1.419 1.00 0.00 C ATOM 483 CG PHE A 32 -0.252 7.502 2.345 1.00 0.00 C ATOM 484 CD1 PHE A 32 -0.497 6.592 3.362 1.00 0.00 C ATOM 485 CD2 PHE A 32 -1.111 8.579 2.194 1.00 0.00 C ATOM 486 CE1 PHE A 32 -1.574 6.754 4.211 1.00 0.00 C ATOM 487 CE2 PHE A 32 -2.189 8.746 3.041 1.00 0.00 C ATOM 488 CZ PHE A 32 -2.422 7.833 4.049 1.00 0.00 C ATOM 0 H PHE A 32 2.511 9.101 0.538 1.00 0.00 H new ATOM 0 HA PHE A 32 2.147 7.784 3.125 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.768 7.941 0.536 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.939 6.283 1.080 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.162 5.746 3.492 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.935 9.296 1.405 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.753 6.039 5.000 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.850 9.591 2.914 1.00 0.00 H new ATOM 0 HZ PHE A 32 -3.266 7.962 4.710 1.00 0.00 H new ATOM 498 N GLN A 33 3.039 5.398 2.463 1.00 0.00 N ATOM 499 CA GLN A 33 3.901 4.228 2.308 1.00 0.00 C ATOM 500 C GLN A 33 3.166 2.952 2.716 1.00 0.00 C ATOM 501 O GLN A 33 2.824 2.770 3.887 1.00 0.00 O ATOM 502 CB GLN A 33 5.183 4.385 3.133 1.00 0.00 C ATOM 503 CG GLN A 33 4.942 4.794 4.580 1.00 0.00 C ATOM 504 CD GLN A 33 5.827 4.041 5.556 1.00 0.00 C ATOM 505 OE1 GLN A 33 7.027 3.883 5.329 1.00 0.00 O ATOM 506 NE2 GLN A 33 5.240 3.572 6.653 1.00 0.00 N ATOM 0 H GLN A 33 2.270 5.269 3.121 1.00 0.00 H new ATOM 0 HA GLN A 33 4.172 4.150 1.255 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.730 3.442 3.119 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.820 5.130 2.657 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.120 5.864 4.685 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.897 4.618 4.834 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.243 3.725 6.803 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.787 3.059 7.345 1.00 0.00 H new ATOM 515 N ILE A 34 2.921 2.077 1.744 1.00 0.00 N ATOM 516 CA ILE A 34 2.225 0.821 1.998 1.00 0.00 C ATOM 517 C ILE A 34 2.781 -0.304 1.124 1.00 0.00 C ATOM 518 O ILE A 34 2.860 -0.173 -0.100 1.00 0.00 O ATOM 519 CB ILE A 34 0.703 0.967 1.760 1.00 0.00 C ATOM 520 CG1 ILE A 34 -0.031 -0.317 2.159 1.00 0.00 C ATOM 521 CG2 ILE A 34 0.414 1.325 0.307 1.00 0.00 C ATOM 522 CD1 ILE A 34 -1.430 -0.075 2.685 1.00 0.00 C ATOM 0 H ILE A 34 3.195 2.216 0.771 1.00 0.00 H new ATOM 0 HA ILE A 34 2.391 0.565 3.044 1.00 0.00 H new ATOM 0 HB ILE A 34 0.336 1.779 2.388 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.086 -0.978 1.294 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.550 -0.836 2.921 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.662 1.422 0.163 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.900 2.269 0.061 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.797 0.540 -0.344 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.890 -1.028 2.948 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.381 0.561 3.569 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.027 0.417 1.917 1.00 0.00 H new ATOM 534 N TYR A 35 3.169 -1.406 1.762 1.00 0.00 N ATOM 535 CA TYR A 35 3.719 -2.557 1.049 1.00 0.00 C ATOM 536 C TYR A 35 2.600 -3.415 0.461 1.00 0.00 C ATOM 537 O TYR A 35 1.471 -3.399 0.956 1.00 0.00 O ATOM 538 CB TYR A 35 4.579 -3.403 1.992 1.00 0.00 C ATOM 539 CG TYR A 35 5.922 -2.785 2.313 1.00 0.00 C ATOM 540 CD1 TYR A 35 6.021 -1.692 3.166 1.00 0.00 C ATOM 541 CD2 TYR A 35 7.091 -3.297 1.766 1.00 0.00 C ATOM 542 CE1 TYR A 35 7.247 -1.128 3.462 1.00 0.00 C ATOM 543 CE2 TYR A 35 8.320 -2.740 2.059 1.00 0.00 C ATOM 544 CZ TYR A 35 8.393 -1.656 2.907 1.00 0.00 C ATOM 545 OH TYR A 35 9.616 -1.099 3.202 1.00 0.00 O ATOM 0 H TYR A 35 3.113 -1.526 2.773 1.00 0.00 H new ATOM 0 HA TYR A 35 4.340 -2.187 0.233 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.032 -3.564 2.921 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.739 -4.383 1.542 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.125 -1.277 3.604 1.00 0.00 H new ATOM 0 HD2 TYR A 35 7.038 -4.145 1.100 1.00 0.00 H new ATOM 0 HE1 TYR A 35 7.307 -0.278 4.125 1.00 0.00 H new ATOM 0 HE2 TYR A 35 9.220 -3.152 1.626 1.00 0.00 H new ATOM 0 HH TYR A 35 10.321 -1.590 2.731 1.00 0.00 H new ATOM 555 N LEU A 36 2.922 -4.167 -0.594 1.00 0.00 N ATOM 556 CA LEU A 36 1.940 -5.037 -1.245 1.00 0.00 C ATOM 557 C LEU A 36 1.360 -6.048 -0.255 1.00 0.00 C ATOM 558 O LEU A 36 0.172 -6.365 -0.309 1.00 0.00 O ATOM 559 CB LEU A 36 2.572 -5.773 -2.432 1.00 0.00 C ATOM 560 CG LEU A 36 2.791 -4.924 -3.688 1.00 0.00 C ATOM 561 CD1 LEU A 36 3.297 -5.786 -4.835 1.00 0.00 C ATOM 562 CD2 LEU A 36 1.506 -4.211 -4.086 1.00 0.00 C ATOM 0 H LEU A 36 3.851 -4.191 -1.014 1.00 0.00 H new ATOM 0 HA LEU A 36 1.130 -4.407 -1.611 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.533 -6.179 -2.116 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.938 -6.620 -2.692 1.00 0.00 H new ATOM 0 HG LEU A 36 3.546 -4.171 -3.463 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.447 -5.165 -5.718 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.243 -6.249 -4.553 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.565 -6.562 -5.057 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.683 -3.614 -4.980 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.729 -4.948 -4.290 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.184 -3.560 -3.273 1.00 0.00 H new ATOM 574 N ASP A 37 2.206 -6.545 0.649 1.00 0.00 N ATOM 575 CA ASP A 37 1.778 -7.514 1.659 1.00 0.00 C ATOM 576 C ASP A 37 0.669 -6.933 2.535 1.00 0.00 C ATOM 577 O ASP A 37 -0.298 -7.623 2.865 1.00 0.00 O ATOM 578 CB ASP A 37 2.964 -7.933 2.535 1.00 0.00 C ATOM 579 CG ASP A 37 4.052 -8.647 1.753 1.00 0.00 C ATOM 580 OD1 ASP A 37 4.606 -8.042 0.811 1.00 0.00 O ATOM 581 OD2 ASP A 37 4.353 -9.812 2.087 1.00 0.00 O ATOM 0 H ASP A 37 3.193 -6.292 0.702 1.00 0.00 H new ATOM 0 HA ASP A 37 1.390 -8.391 1.141 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.387 -7.049 3.012 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.608 -8.586 3.332 1.00 0.00 H new ATOM 586 N ASP A 38 0.815 -5.656 2.900 1.00 0.00 N ATOM 587 CA ASP A 38 -0.176 -4.974 3.728 1.00 0.00 C ATOM 588 C ASP A 38 -1.511 -4.871 2.992 1.00 0.00 C ATOM 589 O ASP A 38 -2.573 -5.038 3.591 1.00 0.00 O ATOM 590 CB ASP A 38 0.313 -3.573 4.118 1.00 0.00 C ATOM 591 CG ASP A 38 0.037 -3.227 5.574 1.00 0.00 C ATOM 592 OD1 ASP A 38 -0.792 -3.914 6.212 1.00 0.00 O ATOM 593 OD2 ASP A 38 0.650 -2.262 6.076 1.00 0.00 O ATOM 0 H ASP A 38 1.611 -5.076 2.634 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.317 -5.561 4.636 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.385 -3.504 3.931 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.170 -2.835 3.478 1.00 0.00 H new ATOM 598 N MET A 39 -1.445 -4.607 1.686 1.00 0.00 N ATOM 599 CA MET A 39 -2.644 -4.493 0.859 1.00 0.00 C ATOM 600 C MET A 39 -2.993 -5.834 0.205 1.00 0.00 C ATOM 601 O MET A 39 -3.549 -5.873 -0.893 1.00 0.00 O ATOM 602 CB MET A 39 -2.442 -3.420 -0.213 1.00 0.00 C ATOM 603 CG MET A 39 -2.747 -2.014 0.273 1.00 0.00 C ATOM 604 SD MET A 39 -3.074 -0.866 -1.078 1.00 0.00 S ATOM 605 CE MET A 39 -1.619 -1.114 -2.093 1.00 0.00 C ATOM 0 H MET A 39 -0.571 -4.468 1.179 1.00 0.00 H new ATOM 0 HA MET A 39 -3.475 -4.204 1.503 1.00 0.00 H new ATOM 0 HB2 MET A 39 -1.411 -3.459 -0.565 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.079 -3.647 -1.068 1.00 0.00 H new ATOM 0 HG2 MET A 39 -3.611 -2.043 0.937 1.00 0.00 H new ATOM 0 HG3 MET A 39 -1.906 -1.647 0.861 1.00 0.00 H new ATOM 0 HE1 MET A 39 -1.630 -0.408 -2.924 1.00 0.00 H new ATOM 0 HE2 MET A 39 -0.724 -0.953 -1.492 1.00 0.00 H new ATOM 0 HE3 MET A 39 -1.616 -2.132 -2.482 1.00 0.00 H new ATOM 615 N PHE A 40 -2.666 -6.933 0.887 1.00 0.00 N ATOM 616 CA PHE A 40 -2.948 -8.271 0.376 1.00 0.00 C ATOM 617 C PHE A 40 -3.621 -9.129 1.445 1.00 0.00 C ATOM 618 O PHE A 40 -4.627 -9.789 1.178 1.00 0.00 O ATOM 619 CB PHE A 40 -1.656 -8.940 -0.101 1.00 0.00 C ATOM 620 CG PHE A 40 -1.859 -10.318 -0.670 1.00 0.00 C ATOM 621 CD1 PHE A 40 -2.904 -10.579 -1.545 1.00 0.00 C ATOM 622 CD2 PHE A 40 -1.004 -11.353 -0.328 1.00 0.00 C ATOM 623 CE1 PHE A 40 -3.091 -11.846 -2.065 1.00 0.00 C ATOM 624 CE2 PHE A 40 -1.187 -12.622 -0.845 1.00 0.00 C ATOM 625 CZ PHE A 40 -2.231 -12.868 -1.715 1.00 0.00 C ATOM 0 H PHE A 40 -2.205 -6.920 1.797 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.630 -8.177 -0.469 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.190 -8.310 -0.858 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.960 -9.002 0.735 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -3.579 -9.783 -1.823 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.185 -11.166 0.351 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -3.909 -12.036 -2.744 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.514 -13.420 -0.569 1.00 0.00 H new ATOM 0 HZ PHE A 40 -2.375 -13.858 -2.121 1.00 0.00 H new ATOM 635 N GLU A 41 -3.061 -9.112 2.658 1.00 0.00 N ATOM 636 CA GLU A 41 -3.611 -9.885 3.771 1.00 0.00 C ATOM 637 C GLU A 41 -5.064 -9.496 4.049 1.00 0.00 C ATOM 638 O GLU A 41 -5.888 -10.350 4.381 1.00 0.00 O ATOM 639 CB GLU A 41 -2.763 -9.683 5.030 1.00 0.00 C ATOM 640 CG GLU A 41 -1.599 -10.654 5.138 1.00 0.00 C ATOM 641 CD GLU A 41 -0.579 -10.229 6.177 1.00 0.00 C ATOM 642 OE1 GLU A 41 -0.804 -10.500 7.375 1.00 0.00 O ATOM 643 OE2 GLU A 41 0.444 -9.625 5.791 1.00 0.00 O ATOM 0 H GLU A 41 -2.228 -8.572 2.892 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.588 -10.938 3.491 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.378 -8.663 5.039 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.399 -9.791 5.908 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.979 -11.644 5.391 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.110 -10.739 4.168 1.00 0.00 H new ATOM 650 N GLY A 42 -5.375 -8.205 3.906 1.00 0.00 N ATOM 651 CA GLY A 42 -6.730 -7.737 4.141 1.00 0.00 C ATOM 652 C GLY A 42 -6.783 -6.291 4.598 1.00 0.00 C ATOM 653 O GLY A 42 -7.137 -6.013 5.745 1.00 0.00 O ATOM 0 H GLY A 42 -4.712 -7.479 3.632 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.311 -7.845 3.225 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.202 -8.368 4.894 1.00 0.00 H new ATOM 657 N GLU A 43 -6.432 -5.370 3.701 1.00 0.00 N ATOM 658 CA GLU A 43 -6.442 -3.943 4.019 1.00 0.00 C ATOM 659 C GLU A 43 -7.185 -3.139 2.954 1.00 0.00 C ATOM 660 O GLU A 43 -7.330 -3.584 1.816 1.00 0.00 O ATOM 661 CB GLU A 43 -5.009 -3.425 4.156 1.00 0.00 C ATOM 662 CG GLU A 43 -4.914 -2.063 4.825 1.00 0.00 C ATOM 663 CD GLU A 43 -3.580 -1.841 5.515 1.00 0.00 C ATOM 664 OE1 GLU A 43 -2.541 -1.898 4.827 1.00 0.00 O ATOM 665 OE2 GLU A 43 -3.577 -1.609 6.742 1.00 0.00 O ATOM 0 H GLU A 43 -6.137 -5.587 2.749 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.966 -3.816 4.966 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.425 -4.144 4.731 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.557 -3.366 3.166 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.066 -1.284 4.078 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.717 -1.965 5.555 1.00 0.00 H new ATOM 672 N LYS A 44 -7.650 -1.950 3.339 1.00 0.00 N ATOM 673 CA LYS A 44 -8.380 -1.066 2.427 1.00 0.00 C ATOM 674 C LYS A 44 -8.261 0.394 2.866 1.00 0.00 C ATOM 675 O LYS A 44 -8.001 1.277 2.047 1.00 0.00 O ATOM 676 CB LYS A 44 -9.857 -1.469 2.357 1.00 0.00 C ATOM 677 CG LYS A 44 -10.185 -2.381 1.186 1.00 0.00 C ATOM 678 CD LYS A 44 -11.206 -3.440 1.570 1.00 0.00 C ATOM 679 CE LYS A 44 -10.552 -4.615 2.282 1.00 0.00 C ATOM 680 NZ LYS A 44 -11.483 -5.278 3.238 1.00 0.00 N ATOM 0 H LYS A 44 -7.534 -1.575 4.280 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.936 -1.167 1.437 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.132 -1.970 3.285 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -10.468 -0.569 2.287 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.571 -1.786 0.358 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.274 -2.864 0.834 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.964 -2.998 2.217 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.718 -3.795 0.675 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.212 -5.342 1.544 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.669 -4.268 2.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -10.997 -6.073 3.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.788 -4.592 3.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.314 -5.633 2.723 1.00 0.00 H new ATOM 694 N VAL A 45 -8.454 0.637 4.164 1.00 0.00 N ATOM 695 CA VAL A 45 -8.370 1.985 4.717 1.00 0.00 C ATOM 696 C VAL A 45 -7.012 2.226 5.374 1.00 0.00 C ATOM 697 O VAL A 45 -6.669 1.585 6.370 1.00 0.00 O ATOM 698 CB VAL A 45 -9.490 2.253 5.749 1.00 0.00 C ATOM 699 CG1 VAL A 45 -10.824 2.464 5.049 1.00 0.00 C ATOM 700 CG2 VAL A 45 -9.586 1.116 6.761 1.00 0.00 C ATOM 0 H VAL A 45 -8.670 -0.086 4.851 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.494 2.674 3.882 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.238 3.164 6.291 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.599 2.651 5.792 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.751 3.319 4.377 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.079 1.573 4.475 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.381 1.330 7.475 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.807 0.184 6.241 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.639 1.020 7.291 1.00 0.00 H new ATOM 710 N ALA A 46 -6.242 3.154 4.809 1.00 0.00 N ATOM 711 CA ALA A 46 -4.921 3.482 5.334 1.00 0.00 C ATOM 712 C ALA A 46 -4.915 4.862 5.988 1.00 0.00 C ATOM 713 O ALA A 46 -5.674 5.750 5.592 1.00 0.00 O ATOM 714 CB ALA A 46 -3.883 3.411 4.224 1.00 0.00 C ATOM 0 H ALA A 46 -6.512 3.692 3.986 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.667 2.750 6.100 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.901 3.658 4.628 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.862 2.403 3.809 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.141 4.121 3.438 1.00 0.00 H new ATOM 720 N VAL A 47 -4.056 5.034 6.992 1.00 0.00 N ATOM 721 CA VAL A 47 -3.953 6.306 7.703 1.00 0.00 C ATOM 722 C VAL A 47 -2.640 7.016 7.386 1.00 0.00 C ATOM 723 O VAL A 47 -1.575 6.395 7.370 1.00 0.00 O ATOM 724 CB VAL A 47 -4.070 6.117 9.232 1.00 0.00 C ATOM 725 CG1 VAL A 47 -5.497 5.761 9.618 1.00 0.00 C ATOM 726 CG2 VAL A 47 -3.096 5.054 9.727 1.00 0.00 C ATOM 0 H VAL A 47 -3.423 4.309 7.330 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.785 6.921 7.359 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.809 7.061 9.711 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.560 5.632 10.698 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.168 6.562 9.309 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.787 4.834 9.124 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.199 4.941 10.806 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.316 4.104 9.240 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.076 5.356 9.489 1.00 0.00 H new ATOM 736 N CYS A 48 -2.725 8.321 7.131 1.00 0.00 N ATOM 737 CA CYS A 48 -1.543 9.121 6.811 1.00 0.00 C ATOM 738 C CYS A 48 -0.723 9.413 8.066 1.00 0.00 C ATOM 739 O CYS A 48 -1.278 9.764 9.110 1.00 0.00 O ATOM 740 CB CYS A 48 -1.958 10.437 6.143 1.00 0.00 C ATOM 741 SG CYS A 48 -0.565 11.503 5.644 1.00 0.00 S ATOM 0 H CYS A 48 -3.599 8.847 7.140 1.00 0.00 H new ATOM 0 HA CYS A 48 -0.925 8.547 6.121 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.559 10.209 5.262 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.597 10.993 6.829 1.00 0.00 H new ATOM 746 N PRO A 49 0.615 9.277 7.982 1.00 0.00 N ATOM 747 CA PRO A 49 1.509 9.535 9.112 1.00 0.00 C ATOM 748 C PRO A 49 1.871 11.019 9.268 1.00 0.00 C ATOM 749 O PRO A 49 2.859 11.356 9.925 1.00 0.00 O ATOM 750 CB PRO A 49 2.743 8.712 8.751 1.00 0.00 C ATOM 751 CG PRO A 49 2.790 8.733 7.259 1.00 0.00 C ATOM 752 CD PRO A 49 1.363 8.863 6.778 1.00 0.00 C ATOM 0 HA PRO A 49 1.053 9.271 10.066 1.00 0.00 H new ATOM 0 HB2 PRO A 49 3.647 9.144 9.182 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.664 7.693 9.130 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.395 9.567 6.903 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.246 7.821 6.874 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.276 9.602 5.981 1.00 0.00 H new ATOM 0 HD3 PRO A 49 0.989 7.920 6.380 1.00 0.00 H new ATOM 760 N SER A 50 1.068 11.900 8.666 1.00 0.00 N ATOM 761 CA SER A 50 1.302 13.338 8.743 1.00 0.00 C ATOM 762 C SER A 50 0.035 14.065 9.193 1.00 0.00 C ATOM 763 O SER A 50 0.041 14.759 10.211 1.00 0.00 O ATOM 764 CB SER A 50 1.767 13.877 7.388 1.00 0.00 C ATOM 765 OG SER A 50 1.908 15.289 7.419 1.00 0.00 O ATOM 0 H SER A 50 0.248 11.638 8.119 1.00 0.00 H new ATOM 0 HA SER A 50 2.086 13.518 9.479 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.719 13.420 7.119 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.050 13.597 6.617 1.00 0.00 H new ATOM 0 HG SER A 50 1.358 15.688 6.713 1.00 0.00 H new ATOM 771 N CYS A 51 -1.048 13.897 8.431 1.00 0.00 N ATOM 772 CA CYS A 51 -2.322 14.539 8.759 1.00 0.00 C ATOM 773 C CYS A 51 -3.314 13.547 9.376 1.00 0.00 C ATOM 774 O CYS A 51 -4.283 13.954 10.023 1.00 0.00 O ATOM 775 CB CYS A 51 -2.933 15.184 7.511 1.00 0.00 C ATOM 776 SG CYS A 51 -3.521 13.996 6.260 1.00 0.00 S ATOM 0 H CYS A 51 -1.068 13.325 7.587 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.117 15.313 9.499 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -3.768 15.816 7.815 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.190 15.837 7.053 1.00 0.00 H new ATOM 781 N SER A 52 -3.072 12.247 9.173 1.00 0.00 N ATOM 782 CA SER A 52 -3.945 11.202 9.705 1.00 0.00 C ATOM 783 C SER A 52 -5.295 11.188 8.979 1.00 0.00 C ATOM 784 O SER A 52 -6.339 10.945 9.591 1.00 0.00 O ATOM 785 CB SER A 52 -4.153 11.393 11.212 1.00 0.00 C ATOM 786 OG SER A 52 -4.329 10.148 11.866 1.00 0.00 O ATOM 0 H SER A 52 -2.275 11.896 8.642 1.00 0.00 H new ATOM 0 HA SER A 52 -3.460 10.241 9.537 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.294 11.912 11.638 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.025 12.024 11.385 1.00 0.00 H new ATOM 0 HG SER A 52 -4.458 10.298 12.826 1.00 0.00 H new ATOM 792 N LEU A 53 -5.267 11.443 7.669 1.00 0.00 N ATOM 793 CA LEU A 53 -6.485 11.453 6.863 1.00 0.00 C ATOM 794 C LEU A 53 -6.968 10.029 6.600 1.00 0.00 C ATOM 795 O LEU A 53 -6.163 9.116 6.401 1.00 0.00 O ATOM 796 CB LEU A 53 -6.246 12.182 5.537 1.00 0.00 C ATOM 797 CG LEU A 53 -6.670 13.654 5.517 1.00 0.00 C ATOM 798 CD1 LEU A 53 -6.206 14.322 4.231 1.00 0.00 C ATOM 799 CD2 LEU A 53 -8.179 13.783 5.674 1.00 0.00 C ATOM 0 H LEU A 53 -4.415 11.645 7.146 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.257 11.984 7.420 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.185 12.123 5.294 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.783 11.655 4.749 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.197 14.159 6.359 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.515 15.367 4.232 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.120 14.265 4.163 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.651 13.813 3.376 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.458 14.837 5.657 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.676 13.263 4.855 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.485 13.342 6.623 1.00 0.00 H new ATOM 811 N MET A 54 -8.287 9.846 6.611 1.00 0.00 N ATOM 812 CA MET A 54 -8.884 8.532 6.383 1.00 0.00 C ATOM 813 C MET A 54 -9.292 8.363 4.920 1.00 0.00 C ATOM 814 O MET A 54 -10.186 9.057 4.429 1.00 0.00 O ATOM 815 CB MET A 54 -10.097 8.340 7.299 1.00 0.00 C ATOM 816 CG MET A 54 -9.776 8.504 8.778 1.00 0.00 C ATOM 817 SD MET A 54 -11.248 8.484 9.821 1.00 0.00 S ATOM 818 CE MET A 54 -10.809 9.704 11.055 1.00 0.00 C ATOM 0 H MET A 54 -8.963 10.592 6.776 1.00 0.00 H new ATOM 0 HA MET A 54 -8.139 7.772 6.616 1.00 0.00 H new ATOM 0 HB2 MET A 54 -10.869 9.058 7.021 1.00 0.00 H new ATOM 0 HB3 MET A 54 -10.513 7.346 7.134 1.00 0.00 H new ATOM 0 HG2 MET A 54 -9.105 7.704 9.090 1.00 0.00 H new ATOM 0 HG3 MET A 54 -9.244 9.443 8.927 1.00 0.00 H new ATOM 0 HE1 MET A 54 -11.623 9.804 11.773 1.00 0.00 H new ATOM 0 HE2 MET A 54 -9.904 9.388 11.574 1.00 0.00 H new ATOM 0 HE3 MET A 54 -10.632 10.664 10.571 1.00 0.00 H new ATOM 828 N ILE A 55 -8.619 7.440 4.226 1.00 0.00 N ATOM 829 CA ILE A 55 -8.897 7.178 2.812 1.00 0.00 C ATOM 830 C ILE A 55 -9.052 5.680 2.536 1.00 0.00 C ATOM 831 O ILE A 55 -8.634 4.845 3.342 1.00 0.00 O ATOM 832 CB ILE A 55 -7.779 7.739 1.906 1.00 0.00 C ATOM 833 CG1 ILE A 55 -6.421 7.129 2.279 1.00 0.00 C ATOM 834 CG2 ILE A 55 -7.728 9.258 2.001 1.00 0.00 C ATOM 835 CD1 ILE A 55 -6.057 5.911 1.457 1.00 0.00 C ATOM 0 H ILE A 55 -7.878 6.862 4.621 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.836 7.682 2.583 1.00 0.00 H new ATOM 0 HB ILE A 55 -8.004 7.465 0.875 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.646 7.885 2.155 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.433 6.855 3.334 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -6.935 9.636 1.356 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.684 9.675 1.683 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.529 9.552 3.032 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.085 5.534 1.776 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.811 5.137 1.600 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.012 6.184 0.403 1.00 0.00 H new ATOM 847 N ASP A 56 -9.655 5.350 1.391 1.00 0.00 N ATOM 848 CA ASP A 56 -9.869 3.954 1.001 1.00 0.00 C ATOM 849 C ASP A 56 -9.159 3.637 -0.316 1.00 0.00 C ATOM 850 O ASP A 56 -9.699 3.885 -1.394 1.00 0.00 O ATOM 851 CB ASP A 56 -11.369 3.659 0.854 1.00 0.00 C ATOM 852 CG ASP A 56 -12.203 4.232 1.984 1.00 0.00 C ATOM 853 OD1 ASP A 56 -12.439 5.459 1.987 1.00 0.00 O ATOM 854 OD2 ASP A 56 -12.630 3.452 2.861 1.00 0.00 O ATOM 0 H ASP A 56 -10.004 6.031 0.717 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.452 3.324 1.787 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -11.722 4.067 -0.093 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -11.518 2.580 0.811 1.00 0.00 H new ATOM 859 N VAL A 57 -7.949 3.084 -0.230 1.00 0.00 N ATOM 860 CA VAL A 57 -7.189 2.737 -1.429 1.00 0.00 C ATOM 861 C VAL A 57 -7.506 1.315 -1.894 1.00 0.00 C ATOM 862 O VAL A 57 -7.450 0.364 -1.110 1.00 0.00 O ATOM 863 CB VAL A 57 -5.664 2.890 -1.216 1.00 0.00 C ATOM 864 CG1 VAL A 57 -5.155 1.926 -0.152 1.00 0.00 C ATOM 865 CG2 VAL A 57 -4.917 2.688 -2.530 1.00 0.00 C ATOM 0 H VAL A 57 -7.478 2.869 0.649 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.495 3.440 -2.204 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.475 3.904 -0.863 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.080 2.058 -0.026 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.659 2.128 0.793 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.361 0.901 -0.461 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.846 2.799 -2.361 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.122 1.689 -2.915 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.249 3.431 -3.255 1.00 0.00 H new ATOM 875 N VAL A 58 -7.839 1.180 -3.176 1.00 0.00 N ATOM 876 CA VAL A 58 -8.165 -0.119 -3.756 1.00 0.00 C ATOM 877 C VAL A 58 -6.923 -0.786 -4.348 1.00 0.00 C ATOM 878 O VAL A 58 -5.975 -0.108 -4.752 1.00 0.00 O ATOM 879 CB VAL A 58 -9.256 0.006 -4.844 1.00 0.00 C ATOM 880 CG1 VAL A 58 -8.756 0.820 -6.030 1.00 0.00 C ATOM 881 CG2 VAL A 58 -9.730 -1.370 -5.292 1.00 0.00 C ATOM 0 H VAL A 58 -7.890 1.958 -3.834 1.00 0.00 H new ATOM 0 HA VAL A 58 -8.549 -0.742 -2.948 1.00 0.00 H new ATOM 0 HB VAL A 58 -10.105 0.535 -4.410 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -9.544 0.892 -6.780 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -8.482 1.820 -5.695 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -7.884 0.331 -6.465 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -10.498 -1.259 -6.058 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -8.888 -1.930 -5.700 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -10.144 -1.908 -4.439 1.00 0.00 H new ATOM 891 N PHE A 59 -6.935 -2.117 -4.386 1.00 0.00 N ATOM 892 CA PHE A 59 -5.813 -2.888 -4.918 1.00 0.00 C ATOM 893 C PHE A 59 -6.303 -4.030 -5.811 1.00 0.00 C ATOM 894 O PHE A 59 -7.508 -4.265 -5.928 1.00 0.00 O ATOM 895 CB PHE A 59 -4.974 -3.451 -3.765 1.00 0.00 C ATOM 896 CG PHE A 59 -5.769 -4.278 -2.790 1.00 0.00 C ATOM 897 CD1 PHE A 59 -6.617 -3.670 -1.877 1.00 0.00 C ATOM 898 CD2 PHE A 59 -5.671 -5.660 -2.789 1.00 0.00 C ATOM 899 CE1 PHE A 59 -7.351 -4.425 -0.983 1.00 0.00 C ATOM 900 CE2 PHE A 59 -6.403 -6.420 -1.895 1.00 0.00 C ATOM 901 CZ PHE A 59 -7.244 -5.801 -0.992 1.00 0.00 C ATOM 0 H PHE A 59 -7.713 -2.686 -4.053 1.00 0.00 H new ATOM 0 HA PHE A 59 -5.198 -2.222 -5.523 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.170 -4.062 -4.176 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.505 -2.625 -3.230 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -6.705 -2.594 -1.865 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.016 -6.149 -3.494 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -8.008 -3.939 -0.277 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.317 -7.497 -1.903 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.817 -6.393 -0.294 1.00 0.00 H new ATOM 911 N ASP A 60 -5.360 -4.738 -6.436 1.00 0.00 N ATOM 912 CA ASP A 60 -5.692 -5.856 -7.317 1.00 0.00 C ATOM 913 C ASP A 60 -4.820 -7.074 -7.021 1.00 0.00 C ATOM 914 O ASP A 60 -3.631 -6.940 -6.723 1.00 0.00 O ATOM 915 CB ASP A 60 -5.524 -5.443 -8.781 1.00 0.00 C ATOM 916 CG ASP A 60 -6.760 -4.762 -9.336 1.00 0.00 C ATOM 917 OD1 ASP A 60 -7.025 -3.605 -8.949 1.00 0.00 O ATOM 918 OD2 ASP A 60 -7.464 -5.388 -10.154 1.00 0.00 O ATOM 0 H ASP A 60 -4.360 -4.556 -6.347 1.00 0.00 H new ATOM 0 HA ASP A 60 -6.732 -6.127 -7.134 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.671 -4.770 -8.870 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -5.298 -6.325 -9.381 1.00 0.00 H new ATOM 923 N LYS A 61 -5.417 -8.263 -7.115 1.00 0.00 N ATOM 924 CA LYS A 61 -4.695 -9.510 -6.867 1.00 0.00 C ATOM 925 C LYS A 61 -3.753 -9.830 -8.027 1.00 0.00 C ATOM 926 O LYS A 61 -2.614 -10.248 -7.813 1.00 0.00 O ATOM 927 CB LYS A 61 -5.678 -10.665 -6.654 1.00 0.00 C ATOM 928 CG LYS A 61 -6.131 -10.819 -5.211 1.00 0.00 C ATOM 929 CD LYS A 61 -7.314 -9.916 -4.892 1.00 0.00 C ATOM 930 CE LYS A 61 -7.186 -9.293 -3.510 1.00 0.00 C ATOM 931 NZ LYS A 61 -7.099 -10.324 -2.435 1.00 0.00 N ATOM 0 H LYS A 61 -6.399 -8.388 -7.361 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.100 -9.383 -5.962 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.552 -10.509 -7.286 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.211 -11.594 -6.981 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.405 -11.857 -5.025 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.303 -10.583 -4.543 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.384 -9.128 -5.642 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.238 -10.492 -4.948 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.298 -8.661 -3.478 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.044 -8.647 -3.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.098 -9.857 -1.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.916 -10.964 -2.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.222 -10.871 -2.548 1.00 0.00 H new ATOM 945 N GLU A 62 -4.235 -9.619 -9.253 1.00 0.00 N ATOM 946 CA GLU A 62 -3.435 -9.872 -10.450 1.00 0.00 C ATOM 947 C GLU A 62 -2.166 -9.021 -10.439 1.00 0.00 C ATOM 948 O GLU A 62 -1.087 -9.496 -10.794 1.00 0.00 O ATOM 949 CB GLU A 62 -4.249 -9.575 -11.713 1.00 0.00 C ATOM 950 CG GLU A 62 -4.018 -10.578 -12.832 1.00 0.00 C ATOM 951 CD GLU A 62 -5.047 -11.693 -12.847 1.00 0.00 C ATOM 952 OE1 GLU A 62 -5.177 -12.397 -11.823 1.00 0.00 O ATOM 953 OE2 GLU A 62 -5.722 -11.863 -13.884 1.00 0.00 O ATOM 0 H GLU A 62 -5.176 -9.273 -9.442 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.152 -10.925 -10.452 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.309 -9.564 -11.459 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.997 -8.577 -12.072 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.039 -10.058 -13.790 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.023 -11.010 -12.726 1.00 0.00 H new ATOM 960 N ASP A 63 -2.305 -7.763 -10.019 1.00 0.00 N ATOM 961 CA ASP A 63 -1.173 -6.843 -9.952 1.00 0.00 C ATOM 962 C ASP A 63 -0.214 -7.236 -8.829 1.00 0.00 C ATOM 963 O ASP A 63 0.999 -7.283 -9.030 1.00 0.00 O ATOM 964 CB ASP A 63 -1.663 -5.409 -9.739 1.00 0.00 C ATOM 965 CG ASP A 63 -0.609 -4.379 -10.100 1.00 0.00 C ATOM 966 OD1 ASP A 63 -0.451 -4.090 -11.304 1.00 0.00 O ATOM 967 OD2 ASP A 63 0.057 -3.862 -9.178 1.00 0.00 O ATOM 0 H ASP A 63 -3.193 -7.359 -9.720 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.638 -6.900 -10.900 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.555 -5.239 -10.342 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.953 -5.278 -8.697 1.00 0.00 H new ATOM 972 N LEU A 64 -0.768 -7.519 -7.648 1.00 0.00 N ATOM 973 CA LEU A 64 0.040 -7.911 -6.493 1.00 0.00 C ATOM 974 C LEU A 64 0.893 -9.141 -6.807 1.00 0.00 C ATOM 975 O LEU A 64 2.049 -9.225 -6.389 1.00 0.00 O ATOM 976 CB LEU A 64 -0.855 -8.191 -5.280 1.00 0.00 C ATOM 977 CG LEU A 64 -0.370 -7.584 -3.962 1.00 0.00 C ATOM 978 CD1 LEU A 64 -1.551 -7.145 -3.109 1.00 0.00 C ATOM 979 CD2 LEU A 64 0.501 -8.578 -3.206 1.00 0.00 C ATOM 0 H LEU A 64 -1.771 -7.484 -7.467 1.00 0.00 H new ATOM 0 HA LEU A 64 0.707 -7.082 -6.258 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.855 -7.812 -5.491 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.943 -9.270 -5.154 1.00 0.00 H new ATOM 0 HG LEU A 64 0.232 -6.704 -4.188 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.186 -6.716 -2.176 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.132 -6.398 -3.649 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.182 -8.007 -2.890 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.837 -8.130 -2.271 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.076 -9.477 -2.990 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.366 -8.840 -3.815 1.00 0.00 H new ATOM 991 N ALA A 65 0.316 -10.091 -7.545 1.00 0.00 N ATOM 992 CA ALA A 65 1.025 -11.314 -7.915 1.00 0.00 C ATOM 993 C ALA A 65 2.024 -11.056 -9.041 1.00 0.00 C ATOM 994 O ALA A 65 3.173 -11.494 -8.970 1.00 0.00 O ATOM 995 CB ALA A 65 0.037 -12.401 -8.318 1.00 0.00 C ATOM 0 H ALA A 65 -0.640 -10.036 -7.897 1.00 0.00 H new ATOM 0 HA ALA A 65 1.584 -11.654 -7.043 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.582 -13.305 -8.591 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.628 -12.616 -7.482 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -0.551 -12.061 -9.171 1.00 0.00 H new ATOM 1001 N GLU A 66 1.580 -10.340 -10.077 1.00 0.00 N ATOM 1002 CA GLU A 66 2.439 -10.020 -11.218 1.00 0.00 C ATOM 1003 C GLU A 66 3.676 -9.245 -10.769 1.00 0.00 C ATOM 1004 O GLU A 66 4.796 -9.566 -11.165 1.00 0.00 O ATOM 1005 CB GLU A 66 1.666 -9.205 -12.257 1.00 0.00 C ATOM 1006 CG GLU A 66 0.770 -10.047 -13.152 1.00 0.00 C ATOM 1007 CD GLU A 66 -0.214 -9.211 -13.950 1.00 0.00 C ATOM 1008 OE1 GLU A 66 0.213 -8.213 -14.569 1.00 0.00 O ATOM 1009 OE2 GLU A 66 -1.413 -9.556 -13.959 1.00 0.00 O ATOM 0 H GLU A 66 0.632 -9.972 -10.149 1.00 0.00 H new ATOM 0 HA GLU A 66 2.761 -10.959 -11.669 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.056 -8.462 -11.743 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.376 -8.659 -12.879 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.389 -10.625 -13.838 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.220 -10.762 -12.539 1.00 0.00 H new ATOM 1016 N TYR A 67 3.462 -8.225 -9.937 1.00 0.00 N ATOM 1017 CA TYR A 67 4.557 -7.404 -9.426 1.00 0.00 C ATOM 1018 C TYR A 67 5.584 -8.252 -8.678 1.00 0.00 C ATOM 1019 O TYR A 67 6.776 -7.949 -8.696 1.00 0.00 O ATOM 1020 CB TYR A 67 4.017 -6.309 -8.505 1.00 0.00 C ATOM 1021 CG TYR A 67 3.710 -5.011 -9.220 1.00 0.00 C ATOM 1022 CD1 TYR A 67 2.968 -4.997 -10.396 1.00 0.00 C ATOM 1023 CD2 TYR A 67 4.164 -3.799 -8.717 1.00 0.00 C ATOM 1024 CE1 TYR A 67 2.688 -3.811 -11.048 1.00 0.00 C ATOM 1025 CE2 TYR A 67 3.887 -2.610 -9.364 1.00 0.00 C ATOM 1026 CZ TYR A 67 3.150 -2.621 -10.528 1.00 0.00 C ATOM 1027 OH TYR A 67 2.872 -1.437 -11.173 1.00 0.00 O ATOM 0 H TYR A 67 2.539 -7.948 -9.603 1.00 0.00 H new ATOM 0 HA TYR A 67 5.052 -6.942 -10.280 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.110 -6.669 -8.019 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.746 -6.117 -7.718 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.605 -5.928 -10.806 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.743 -3.785 -7.805 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.110 -3.817 -11.960 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.247 -1.676 -8.959 1.00 0.00 H new ATOM 0 HH TYR A 67 3.509 -0.750 -10.885 1.00 0.00 H new ATOM 1037 N TYR A 68 5.118 -9.317 -8.022 1.00 0.00 N ATOM 1038 CA TYR A 68 6.007 -10.206 -7.277 1.00 0.00 C ATOM 1039 C TYR A 68 7.062 -10.821 -8.196 1.00 0.00 C ATOM 1040 O TYR A 68 8.203 -11.035 -7.786 1.00 0.00 O ATOM 1041 CB TYR A 68 5.203 -11.315 -6.593 1.00 0.00 C ATOM 1042 CG TYR A 68 5.669 -11.627 -5.189 1.00 0.00 C ATOM 1043 CD1 TYR A 68 5.220 -10.883 -4.106 1.00 0.00 C ATOM 1044 CD2 TYR A 68 6.556 -12.670 -4.946 1.00 0.00 C ATOM 1045 CE1 TYR A 68 5.640 -11.166 -2.822 1.00 0.00 C ATOM 1046 CE2 TYR A 68 6.981 -12.960 -3.663 1.00 0.00 C ATOM 1047 CZ TYR A 68 6.520 -12.205 -2.605 1.00 0.00 C ATOM 1048 OH TYR A 68 6.940 -12.491 -1.326 1.00 0.00 O ATOM 0 H TYR A 68 4.134 -9.583 -7.992 1.00 0.00 H new ATOM 0 HA TYR A 68 6.514 -9.613 -6.516 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.153 -11.024 -6.561 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.264 -12.221 -7.196 1.00 0.00 H new ATOM 0 HD1 TYR A 68 4.530 -10.069 -4.271 1.00 0.00 H new ATOM 0 HD2 TYR A 68 6.919 -13.263 -5.773 1.00 0.00 H new ATOM 0 HE1 TYR A 68 5.281 -10.576 -1.991 1.00 0.00 H new ATOM 0 HE2 TYR A 68 7.670 -13.773 -3.490 1.00 0.00 H new ATOM 0 HH TYR A 68 6.328 -13.139 -0.918 1.00 0.00 H new ATOM 1058 N GLU A 69 6.672 -11.097 -9.440 1.00 0.00 N ATOM 1059 CA GLU A 69 7.581 -11.681 -10.423 1.00 0.00 C ATOM 1060 C GLU A 69 8.279 -10.593 -11.239 1.00 0.00 C ATOM 1061 O GLU A 69 9.446 -10.736 -11.606 1.00 0.00 O ATOM 1062 CB GLU A 69 6.817 -12.626 -11.352 1.00 0.00 C ATOM 1063 CG GLU A 69 6.063 -13.728 -10.619 1.00 0.00 C ATOM 1064 CD GLU A 69 5.209 -14.576 -11.544 1.00 0.00 C ATOM 1065 OE1 GLU A 69 5.727 -15.032 -12.586 1.00 0.00 O ATOM 1066 OE2 GLU A 69 4.021 -14.790 -11.222 1.00 0.00 O ATOM 0 H GLU A 69 5.730 -10.925 -9.791 1.00 0.00 H new ATOM 0 HA GLU A 69 8.343 -12.247 -9.887 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.109 -12.046 -11.944 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.519 -13.081 -12.050 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.778 -14.369 -10.103 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.428 -13.280 -9.855 1.00 0.00 H new ATOM 1073 N GLU A 70 7.558 -9.505 -11.518 1.00 0.00 N ATOM 1074 CA GLU A 70 8.111 -8.392 -12.286 1.00 0.00 C ATOM 1075 C GLU A 70 9.188 -7.653 -11.489 1.00 0.00 C ATOM 1076 O GLU A 70 10.174 -7.182 -12.058 1.00 0.00 O ATOM 1077 CB GLU A 70 7.002 -7.417 -12.691 1.00 0.00 C ATOM 1078 CG GLU A 70 6.311 -7.788 -13.996 1.00 0.00 C ATOM 1079 CD GLU A 70 4.937 -7.154 -14.137 1.00 0.00 C ATOM 1080 OE1 GLU A 70 4.167 -7.169 -13.153 1.00 0.00 O ATOM 1081 OE2 GLU A 70 4.632 -6.645 -15.235 1.00 0.00 O ATOM 0 H GLU A 70 6.591 -9.373 -11.223 1.00 0.00 H new ATOM 0 HA GLU A 70 8.570 -8.803 -13.185 1.00 0.00 H new ATOM 0 HB2 GLU A 70 6.258 -7.375 -11.895 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.425 -6.417 -12.785 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.936 -7.479 -14.833 1.00 0.00 H new ATOM 0 HG3 GLU A 70 6.213 -8.872 -14.055 1.00 0.00 H new ATOM 1088 N ALA A 71 8.995 -7.553 -10.172 1.00 0.00 N ATOM 1089 CA ALA A 71 9.953 -6.872 -9.309 1.00 0.00 C ATOM 1090 C ALA A 71 10.879 -7.870 -8.617 1.00 0.00 C ATOM 1091 O ALA A 71 10.508 -9.023 -8.388 1.00 0.00 O ATOM 1092 CB ALA A 71 9.225 -6.018 -8.282 1.00 0.00 C ATOM 0 H ALA A 71 8.185 -7.935 -9.684 1.00 0.00 H new ATOM 0 HA ALA A 71 10.568 -6.223 -9.932 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.953 -5.516 -7.645 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.616 -5.273 -8.794 1.00 0.00 H new ATOM 0 HB3 ALA A 71 8.584 -6.652 -7.670 1.00 0.00 H new ATOM 1098 N GLY A 72 12.089 -7.415 -8.289 1.00 0.00 N ATOM 1099 CA GLY A 72 13.058 -8.272 -7.628 1.00 0.00 C ATOM 1100 C GLY A 72 12.922 -8.246 -6.118 1.00 0.00 C ATOM 1101 O GLY A 72 13.698 -7.576 -5.433 1.00 0.00 O ATOM 0 H GLY A 72 12.414 -6.465 -8.471 1.00 0.00 H new ATOM 0 HA2 GLY A 72 12.935 -9.295 -7.983 1.00 0.00 H new ATOM 0 HA3 GLY A 72 14.064 -7.958 -7.904 1.00 0.00 H new ATOM 1105 N ILE A 73 11.934 -8.974 -5.598 1.00 0.00 N ATOM 1106 CA ILE A 73 11.696 -9.030 -4.157 1.00 0.00 C ATOM 1107 C ILE A 73 11.379 -10.453 -3.702 1.00 0.00 C ATOM 1108 O ILE A 73 10.663 -11.190 -4.384 1.00 0.00 O ATOM 1109 CB ILE A 73 10.547 -8.087 -3.721 1.00 0.00 C ATOM 1110 CG1 ILE A 73 9.213 -8.507 -4.358 1.00 0.00 C ATOM 1111 CG2 ILE A 73 10.877 -6.642 -4.071 1.00 0.00 C ATOM 1112 CD1 ILE A 73 9.135 -8.255 -5.849 1.00 0.00 C ATOM 0 H ILE A 73 11.286 -9.533 -6.153 1.00 0.00 H new ATOM 0 HA ILE A 73 12.618 -8.696 -3.681 1.00 0.00 H new ATOM 0 HB ILE A 73 10.441 -8.165 -2.639 1.00 0.00 H new ATOM 0 HG12 ILE A 73 9.051 -9.568 -4.171 1.00 0.00 H new ATOM 0 HG13 ILE A 73 8.402 -7.969 -3.866 1.00 0.00 H new ATOM 0 HG21 ILE A 73 10.058 -5.995 -3.757 1.00 0.00 H new ATOM 0 HG22 ILE A 73 11.792 -6.343 -3.559 1.00 0.00 H new ATOM 0 HG23 ILE A 73 11.018 -6.552 -5.148 1.00 0.00 H new ATOM 0 HD11 ILE A 73 8.163 -8.578 -6.222 1.00 0.00 H new ATOM 0 HD12 ILE A 73 9.263 -7.191 -6.045 1.00 0.00 H new ATOM 0 HD13 ILE A 73 9.922 -8.815 -6.354 1.00 0.00 H new ATOM 1124 N HIS A 74 11.918 -10.828 -2.545 1.00 0.00 N ATOM 1125 CA HIS A 74 11.698 -12.159 -1.985 1.00 0.00 C ATOM 1126 C HIS A 74 10.697 -12.105 -0.833 1.00 0.00 C ATOM 1127 O HIS A 74 10.469 -11.043 -0.249 1.00 0.00 O ATOM 1128 CB HIS A 74 13.023 -12.752 -1.500 1.00 0.00 C ATOM 1129 CG HIS A 74 13.782 -13.478 -2.567 1.00 0.00 C ATOM 1130 ND1 HIS A 74 14.038 -14.832 -2.521 1.00 0.00 N ATOM 1131 CD2 HIS A 74 14.341 -13.030 -3.717 1.00 0.00 C ATOM 1132 CE1 HIS A 74 14.724 -15.185 -3.593 1.00 0.00 C ATOM 1133 NE2 HIS A 74 14.920 -14.111 -4.335 1.00 0.00 N ATOM 0 H HIS A 74 12.513 -10.226 -1.975 1.00 0.00 H new ATOM 0 HA HIS A 74 11.287 -12.796 -2.768 1.00 0.00 H new ATOM 0 HB2 HIS A 74 13.647 -11.951 -1.104 1.00 0.00 H new ATOM 0 HB3 HIS A 74 12.824 -13.438 -0.677 1.00 0.00 H new ATOM 0 HD2 HIS A 74 14.333 -12.013 -4.080 1.00 0.00 H new ATOM 0 HE1 HIS A 74 15.066 -16.183 -3.823 1.00 0.00 H new ATOM 0 HE2 HIS A 74 15.420 -14.088 -5.223 1.00 0.00 H new ATOM 1142 N PRO A 75 10.082 -13.254 -0.488 1.00 0.00 N ATOM 1143 CA PRO A 75 9.102 -13.329 0.601 1.00 0.00 C ATOM 1144 C PRO A 75 9.743 -13.138 1.974 1.00 0.00 C ATOM 1145 O PRO A 75 10.494 -13.997 2.442 1.00 0.00 O ATOM 1146 CB PRO A 75 8.527 -14.741 0.469 1.00 0.00 C ATOM 1147 CG PRO A 75 9.597 -15.525 -0.208 1.00 0.00 C ATOM 1148 CD PRO A 75 10.294 -14.565 -1.131 1.00 0.00 C ATOM 0 HA PRO A 75 8.351 -12.542 0.527 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.285 -15.162 1.445 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.607 -14.741 -0.115 1.00 0.00 H new ATOM 0 HG2 PRO A 75 10.294 -15.943 0.519 1.00 0.00 H new ATOM 0 HG3 PRO A 75 9.175 -16.363 -0.763 1.00 0.00 H new ATOM 0 HD2 PRO A 75 11.354 -14.798 -1.227 1.00 0.00 H new ATOM 0 HD3 PRO A 75 9.870 -14.593 -2.135 1.00 0.00 H new ATOM 1156 N PRO A 76 9.455 -12.004 2.641 1.00 0.00 N ATOM 1157 CA PRO A 76 10.006 -11.710 3.968 1.00 0.00 C ATOM 1158 C PRO A 76 9.411 -12.606 5.051 1.00 0.00 C ATOM 1159 O PRO A 76 8.404 -13.280 4.829 1.00 0.00 O ATOM 1160 CB PRO A 76 9.610 -10.251 4.203 1.00 0.00 C ATOM 1161 CG PRO A 76 8.394 -10.047 3.368 1.00 0.00 C ATOM 1162 CD PRO A 76 8.569 -10.924 2.159 1.00 0.00 C ATOM 0 HA PRO A 76 11.081 -11.884 4.012 1.00 0.00 H new ATOM 0 HB2 PRO A 76 9.403 -10.062 5.256 1.00 0.00 H new ATOM 0 HB3 PRO A 76 10.410 -9.572 3.909 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.493 -10.317 3.919 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.290 -9.001 3.079 1.00 0.00 H new ATOM 0 HD2 PRO A 76 7.615 -11.315 1.806 1.00 0.00 H new ATOM 0 HD3 PRO A 76 9.017 -10.378 1.329 1.00 0.00 H new ATOM 1170 N GLU A 77 10.040 -12.606 6.224 1.00 0.00 N ATOM 1171 CA GLU A 77 9.573 -13.415 7.344 1.00 0.00 C ATOM 1172 C GLU A 77 9.111 -12.522 8.494 1.00 0.00 C ATOM 1173 O GLU A 77 9.889 -12.213 9.398 1.00 0.00 O ATOM 1174 CB GLU A 77 10.683 -14.355 7.818 1.00 0.00 C ATOM 1175 CG GLU A 77 10.749 -15.665 7.046 1.00 0.00 C ATOM 1176 CD GLU A 77 12.172 -16.134 6.813 1.00 0.00 C ATOM 1177 OE1 GLU A 77 12.762 -16.728 7.740 1.00 0.00 O ATOM 1178 OE2 GLU A 77 12.698 -15.906 5.702 1.00 0.00 O ATOM 0 H GLU A 77 10.875 -12.054 6.422 1.00 0.00 H new ATOM 0 HA GLU A 77 8.726 -14.013 7.008 1.00 0.00 H new ATOM 0 HB2 GLU A 77 11.642 -13.844 7.730 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.534 -14.574 8.875 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.202 -16.433 7.593 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.249 -15.542 6.085 1.00 0.00 H new ATOM 1185 N PRO A 78 7.831 -12.088 8.465 1.00 0.00 N ATOM 1186 CA PRO A 78 7.254 -11.220 9.505 1.00 0.00 C ATOM 1187 C PRO A 78 7.411 -11.807 10.909 1.00 0.00 C ATOM 1188 O PRO A 78 6.534 -12.519 11.402 1.00 0.00 O ATOM 1189 CB PRO A 78 5.772 -11.132 9.115 1.00 0.00 C ATOM 1190 CG PRO A 78 5.745 -11.416 7.653 1.00 0.00 C ATOM 1191 CD PRO A 78 6.849 -12.403 7.408 1.00 0.00 C ATOM 0 HA PRO A 78 7.752 -10.251 9.550 1.00 0.00 H new ATOM 0 HB2 PRO A 78 5.174 -11.855 9.669 1.00 0.00 H new ATOM 0 HB3 PRO A 78 5.363 -10.145 9.334 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.781 -11.825 7.352 1.00 0.00 H new ATOM 0 HG3 PRO A 78 5.899 -10.505 7.075 1.00 0.00 H new ATOM 0 HD2 PRO A 78 6.493 -13.431 7.483 1.00 0.00 H new ATOM 0 HD3 PRO A 78 7.278 -12.287 6.413 1.00 0.00 H new ATOM 1199 N ILE A 79 8.541 -11.505 11.541 1.00 0.00 N ATOM 1200 CA ILE A 79 8.831 -11.999 12.883 1.00 0.00 C ATOM 1201 C ILE A 79 8.819 -10.866 13.907 1.00 0.00 C ATOM 1202 O ILE A 79 8.311 -11.031 15.017 1.00 0.00 O ATOM 1203 CB ILE A 79 10.193 -12.730 12.930 1.00 0.00 C ATOM 1204 CG1 ILE A 79 10.428 -13.345 14.312 1.00 0.00 C ATOM 1205 CG2 ILE A 79 11.333 -11.785 12.563 1.00 0.00 C ATOM 1206 CD1 ILE A 79 11.145 -14.677 14.267 1.00 0.00 C ATOM 0 H ILE A 79 9.274 -10.918 11.143 1.00 0.00 H new ATOM 0 HA ILE A 79 8.044 -12.709 13.138 1.00 0.00 H new ATOM 0 HB ILE A 79 10.170 -13.534 12.194 1.00 0.00 H new ATOM 0 HG12 ILE A 79 11.009 -12.649 14.916 1.00 0.00 H new ATOM 0 HG13 ILE A 79 9.468 -13.475 14.811 1.00 0.00 H new ATOM 0 HG21 ILE A 79 12.280 -12.324 12.604 1.00 0.00 H new ATOM 0 HG22 ILE A 79 11.177 -11.401 11.555 1.00 0.00 H new ATOM 0 HG23 ILE A 79 11.358 -10.954 13.268 1.00 0.00 H new ATOM 0 HD11 ILE A 79 11.277 -15.053 15.281 1.00 0.00 H new ATOM 0 HD12 ILE A 79 10.555 -15.389 13.690 1.00 0.00 H new ATOM 0 HD13 ILE A 79 12.120 -14.550 13.797 1.00 0.00 H new ATOM 1218 N ALA A 80 9.380 -9.717 13.522 1.00 0.00 N ATOM 1219 CA ALA A 80 9.440 -8.547 14.396 1.00 0.00 C ATOM 1220 C ALA A 80 10.346 -8.798 15.604 1.00 0.00 C ATOM 1221 O ALA A 80 10.584 -9.944 15.993 1.00 0.00 O ATOM 1222 CB ALA A 80 8.041 -8.152 14.851 1.00 0.00 C ATOM 0 H ALA A 80 9.801 -9.574 12.604 1.00 0.00 H new ATOM 0 HA ALA A 80 9.869 -7.724 13.824 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.103 -7.279 15.501 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.429 -7.914 13.981 1.00 0.00 H new ATOM 0 HB3 ALA A 80 7.589 -8.980 15.397 1.00 0.00 H new ATOM 1228 N ALA A 81 10.849 -7.714 16.196 1.00 0.00 N ATOM 1229 CA ALA A 81 11.725 -7.811 17.360 1.00 0.00 C ATOM 1230 C ALA A 81 10.913 -7.800 18.654 1.00 0.00 C ATOM 1231 O ALA A 81 10.555 -6.736 19.165 1.00 0.00 O ATOM 1232 CB ALA A 81 12.742 -6.677 17.356 1.00 0.00 C ATOM 0 H ALA A 81 10.664 -6.760 15.887 1.00 0.00 H new ATOM 0 HA ALA A 81 12.262 -8.758 17.305 1.00 0.00 H new ATOM 0 HB1 ALA A 81 13.387 -6.764 18.230 1.00 0.00 H new ATOM 0 HB2 ALA A 81 13.347 -6.734 16.451 1.00 0.00 H new ATOM 0 HB3 ALA A 81 12.220 -5.720 17.384 1.00 0.00 H new ATOM 1238 N ALA A 82 10.622 -8.995 19.175 1.00 0.00 N ATOM 1239 CA ALA A 82 9.849 -9.143 20.409 1.00 0.00 C ATOM 1240 C ALA A 82 8.441 -8.567 20.254 1.00 0.00 C ATOM 1241 O ALA A 82 8.145 -7.475 20.747 1.00 0.00 O ATOM 1242 CB ALA A 82 10.575 -8.485 21.575 1.00 0.00 C ATOM 0 H ALA A 82 10.913 -9.879 18.757 1.00 0.00 H new ATOM 0 HA ALA A 82 9.751 -10.208 20.618 1.00 0.00 H new ATOM 0 HB1 ALA A 82 9.986 -8.605 22.484 1.00 0.00 H new ATOM 0 HB2 ALA A 82 11.549 -8.955 21.709 1.00 0.00 H new ATOM 0 HB3 ALA A 82 10.710 -7.424 21.367 1.00 0.00 H new ATOM 1248 N ALA A 83 7.576 -9.311 19.566 1.00 0.00 N ATOM 1249 CA ALA A 83 6.197 -8.884 19.342 1.00 0.00 C ATOM 1250 C ALA A 83 5.263 -9.486 20.386 1.00 0.00 C ATOM 1251 O ALA A 83 5.358 -10.671 20.710 1.00 0.00 O ATOM 1252 CB ALA A 83 5.748 -9.272 17.939 1.00 0.00 C ATOM 0 H ALA A 83 7.807 -10.215 19.153 1.00 0.00 H new ATOM 0 HA ALA A 83 6.155 -7.799 19.438 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.719 -8.949 17.784 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.394 -8.791 17.204 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.810 -10.354 17.824 1.00 0.00 H new TER 1258 ALA A 83 HETATM 1259 ZN ZN A 84 -1.625 13.501 4.863 1.00 0.00 ZN