USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=13 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 68 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.12) 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 180:sc= 0 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 -173:sc= -1.17 (180deg=-1.34!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.0613 X(o=-0.061,f=-0.34) USER MOD Single : A 20 GLN : amide:sc= -3.16 K(o=-3.2,f=-4!) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.684 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 35 TYR OH : rot -73:sc= 0.0359 USER MOD Single : A 39 MET CE :methyl 156:sc= -1.93 (180deg=-3.48!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -140:sc= 0 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 150:sc= -0.0978 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.172 -4.554 15.477 1.00 0.00 N ATOM 2 CA MET A 1 16.089 -4.877 16.449 1.00 0.00 C ATOM 3 C MET A 1 14.773 -4.208 16.052 1.00 0.00 C ATOM 4 O MET A 1 14.681 -2.980 16.006 1.00 0.00 O ATOM 5 CB MET A 1 16.520 -4.408 17.844 1.00 0.00 C ATOM 6 CG MET A 1 17.265 -5.465 18.644 1.00 0.00 C ATOM 7 SD MET A 1 17.777 -4.872 20.269 1.00 0.00 S ATOM 8 CE MET A 1 19.544 -4.709 20.031 1.00 0.00 C ATOM 0 H1 MET A 1 18.053 -5.021 15.771 1.00 0.00 H new ATOM 0 H2 MET A 1 16.901 -4.890 14.531 1.00 0.00 H new ATOM 0 H3 MET A 1 17.318 -3.525 15.450 1.00 0.00 H new ATOM 0 HA MET A 1 15.924 -5.954 16.451 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.156 -3.529 17.741 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.636 -4.099 18.402 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.627 -6.340 18.765 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.144 -5.786 18.085 1.00 0.00 H new ATOM 0 HE1 MET A 1 20.004 -4.350 20.952 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.967 -5.679 19.769 1.00 0.00 H new ATOM 0 HE3 MET A 1 19.739 -3.999 19.227 1.00 0.00 H new ATOM 20 N VAL A 2 13.758 -5.024 15.765 1.00 0.00 N ATOM 21 CA VAL A 2 12.447 -4.513 15.371 1.00 0.00 C ATOM 22 C VAL A 2 11.328 -5.203 16.153 1.00 0.00 C ATOM 23 O VAL A 2 11.289 -6.432 16.248 1.00 0.00 O ATOM 24 CB VAL A 2 12.205 -4.691 13.854 1.00 0.00 C ATOM 25 CG1 VAL A 2 12.231 -6.163 13.464 1.00 0.00 C ATOM 26 CG2 VAL A 2 10.890 -4.045 13.438 1.00 0.00 C ATOM 0 H VAL A 2 13.820 -6.042 15.798 1.00 0.00 H new ATOM 0 HA VAL A 2 12.436 -3.448 15.604 1.00 0.00 H new ATOM 0 HB VAL A 2 13.015 -4.190 13.324 1.00 0.00 H new ATOM 0 HG11 VAL A 2 12.058 -6.258 12.392 1.00 0.00 H new ATOM 0 HG12 VAL A 2 13.203 -6.589 13.714 1.00 0.00 H new ATOM 0 HG13 VAL A 2 11.451 -6.697 14.006 1.00 0.00 H new ATOM 0 HG21 VAL A 2 10.740 -4.182 12.367 1.00 0.00 H new ATOM 0 HG22 VAL A 2 10.068 -4.510 13.982 1.00 0.00 H new ATOM 0 HG23 VAL A 2 10.920 -2.980 13.667 1.00 0.00 H new ATOM 36 N SER A 3 10.421 -4.402 16.711 1.00 0.00 N ATOM 37 CA SER A 3 9.298 -4.927 17.485 1.00 0.00 C ATOM 38 C SER A 3 8.056 -5.081 16.607 1.00 0.00 C ATOM 39 O SER A 3 7.943 -4.439 15.561 1.00 0.00 O ATOM 40 CB SER A 3 8.994 -4.004 18.666 1.00 0.00 C ATOM 41 OG SER A 3 8.255 -4.682 19.667 1.00 0.00 O ATOM 0 H SER A 3 10.443 -3.385 16.641 1.00 0.00 H new ATOM 0 HA SER A 3 9.575 -5.911 17.864 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.927 -3.630 19.089 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.431 -3.137 18.319 1.00 0.00 H new ATOM 0 HG SER A 3 8.075 -4.071 20.411 1.00 0.00 H new ATOM 47 N THR A 4 7.130 -5.939 17.036 1.00 0.00 N ATOM 48 CA THR A 4 5.898 -6.181 16.284 1.00 0.00 C ATOM 49 C THR A 4 4.741 -6.546 17.213 1.00 0.00 C ATOM 50 O THR A 4 4.934 -7.231 18.221 1.00 0.00 O ATOM 51 CB THR A 4 6.114 -7.302 15.260 1.00 0.00 C ATOM 52 OG1 THR A 4 6.469 -8.513 15.906 1.00 0.00 O ATOM 53 CG2 THR A 4 7.195 -6.993 14.246 1.00 0.00 C ATOM 0 H THR A 4 7.209 -6.477 17.899 1.00 0.00 H new ATOM 0 HA THR A 4 5.640 -5.259 15.763 1.00 0.00 H new ATOM 0 HB THR A 4 5.163 -7.395 14.736 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.600 -9.215 15.235 1.00 0.00 H new ATOM 0 HG21 THR A 4 7.294 -7.829 13.553 1.00 0.00 H new ATOM 0 HG22 THR A 4 6.928 -6.093 13.693 1.00 0.00 H new ATOM 0 HG23 THR A 4 8.143 -6.835 14.761 1.00 0.00 H new ATOM 61 N TYR A 5 3.540 -6.088 16.863 1.00 0.00 N ATOM 62 CA TYR A 5 2.345 -6.368 17.658 1.00 0.00 C ATOM 63 C TYR A 5 1.417 -7.348 16.936 1.00 0.00 C ATOM 64 O TYR A 5 0.822 -8.225 17.565 1.00 0.00 O ATOM 65 CB TYR A 5 1.596 -5.071 17.976 1.00 0.00 C ATOM 66 CG TYR A 5 2.095 -4.375 19.224 1.00 0.00 C ATOM 67 CD1 TYR A 5 3.246 -3.597 19.195 1.00 0.00 C ATOM 68 CD2 TYR A 5 1.417 -4.499 20.430 1.00 0.00 C ATOM 69 CE1 TYR A 5 3.706 -2.962 20.333 1.00 0.00 C ATOM 70 CE2 TYR A 5 1.870 -3.866 21.573 1.00 0.00 C ATOM 71 CZ TYR A 5 3.015 -3.099 21.519 1.00 0.00 C ATOM 72 OH TYR A 5 3.472 -2.467 22.654 1.00 0.00 O ATOM 0 H TYR A 5 3.368 -5.521 16.033 1.00 0.00 H new ATOM 0 HA TYR A 5 2.667 -6.829 18.592 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.688 -4.391 17.129 1.00 0.00 H new ATOM 0 HB3 TYR A 5 0.535 -5.293 18.093 1.00 0.00 H new ATOM 0 HD1 TYR A 5 3.790 -3.487 18.268 1.00 0.00 H new ATOM 0 HD2 TYR A 5 0.521 -5.100 20.476 1.00 0.00 H new ATOM 0 HE1 TYR A 5 4.603 -2.361 20.294 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.330 -3.972 22.503 1.00 0.00 H new ATOM 0 HH TYR A 5 2.871 -2.664 23.403 1.00 0.00 H new ATOM 82 N ASP A 6 1.300 -7.194 15.617 1.00 0.00 N ATOM 83 CA ASP A 6 0.446 -8.068 14.811 1.00 0.00 C ATOM 84 C ASP A 6 0.891 -8.081 13.346 1.00 0.00 C ATOM 85 O ASP A 6 1.800 -7.342 12.957 1.00 0.00 O ATOM 86 CB ASP A 6 -1.017 -7.619 14.909 1.00 0.00 C ATOM 87 CG ASP A 6 -1.982 -8.790 14.922 1.00 0.00 C ATOM 88 OD1 ASP A 6 -2.271 -9.308 16.021 1.00 0.00 O ATOM 89 OD2 ASP A 6 -2.448 -9.188 13.834 1.00 0.00 O ATOM 0 H ASP A 6 1.785 -6.473 15.084 1.00 0.00 H new ATOM 0 HA ASP A 6 0.538 -9.080 15.204 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -1.153 -7.029 15.816 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -1.252 -6.968 14.067 1.00 0.00 H new ATOM 94 N GLU A 7 0.244 -8.924 12.537 1.00 0.00 N ATOM 95 CA GLU A 7 0.568 -9.033 11.116 1.00 0.00 C ATOM 96 C GLU A 7 -0.701 -9.064 10.262 1.00 0.00 C ATOM 97 O GLU A 7 -1.592 -9.885 10.488 1.00 0.00 O ATOM 98 CB GLU A 7 1.415 -10.284 10.851 1.00 0.00 C ATOM 99 CG GLU A 7 0.805 -11.571 11.388 1.00 0.00 C ATOM 100 CD GLU A 7 1.847 -12.524 11.941 1.00 0.00 C ATOM 101 OE1 GLU A 7 2.367 -12.260 13.045 1.00 0.00 O ATOM 102 OE2 GLU A 7 2.142 -13.535 11.270 1.00 0.00 O ATOM 0 H GLU A 7 -0.508 -9.541 12.844 1.00 0.00 H new ATOM 0 HA GLU A 7 1.146 -8.152 10.837 1.00 0.00 H new ATOM 0 HB2 GLU A 7 1.566 -10.387 9.776 1.00 0.00 H new ATOM 0 HB3 GLU A 7 2.399 -10.146 11.300 1.00 0.00 H new ATOM 0 HG2 GLU A 7 0.087 -11.329 12.172 1.00 0.00 H new ATOM 0 HG3 GLU A 7 0.251 -12.067 10.591 1.00 0.00 H new ATOM 109 N ILE A 8 -0.773 -8.160 9.283 1.00 0.00 N ATOM 110 CA ILE A 8 -1.931 -8.071 8.392 1.00 0.00 C ATOM 111 C ILE A 8 -1.525 -8.296 6.933 1.00 0.00 C ATOM 112 O ILE A 8 -0.388 -8.021 6.546 1.00 0.00 O ATOM 113 CB ILE A 8 -2.635 -6.700 8.515 1.00 0.00 C ATOM 114 CG1 ILE A 8 -2.904 -6.361 9.985 1.00 0.00 C ATOM 115 CG2 ILE A 8 -3.936 -6.694 7.722 1.00 0.00 C ATOM 116 CD1 ILE A 8 -2.669 -4.905 10.325 1.00 0.00 C ATOM 0 H ILE A 8 -0.041 -7.478 9.087 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.624 -8.855 8.697 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.974 -5.938 8.101 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.935 -6.620 10.226 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.265 -6.980 10.615 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.418 -5.721 7.820 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.722 -6.889 6.671 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.600 -7.468 8.107 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.879 -4.740 11.382 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.631 -4.646 10.117 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -3.327 -4.280 9.722 1.00 0.00 H new ATOM 128 N GLU A 9 -2.463 -8.797 6.129 1.00 0.00 N ATOM 129 CA GLU A 9 -2.204 -9.059 4.714 1.00 0.00 C ATOM 130 C GLU A 9 -2.714 -7.917 3.837 1.00 0.00 C ATOM 131 O GLU A 9 -3.718 -7.278 4.158 1.00 0.00 O ATOM 132 CB GLU A 9 -2.867 -10.373 4.288 1.00 0.00 C ATOM 133 CG GLU A 9 -2.255 -11.609 4.931 1.00 0.00 C ATOM 134 CD GLU A 9 -3.235 -12.764 5.027 1.00 0.00 C ATOM 135 OE1 GLU A 9 -4.097 -12.737 5.931 1.00 0.00 O ATOM 136 OE2 GLU A 9 -3.139 -13.695 4.201 1.00 0.00 O ATOM 0 H GLU A 9 -3.408 -9.029 6.434 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.125 -9.138 4.582 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.927 -10.332 4.539 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -2.800 -10.468 3.204 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -1.386 -11.922 4.353 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -1.899 -11.356 5.930 1.00 0.00 H new ATOM 143 N ILE A 10 -2.019 -7.674 2.723 1.00 0.00 N ATOM 144 CA ILE A 10 -2.405 -6.616 1.788 1.00 0.00 C ATOM 145 C ILE A 10 -3.827 -6.832 1.267 1.00 0.00 C ATOM 146 O ILE A 10 -4.541 -5.870 0.978 1.00 0.00 O ATOM 147 CB ILE A 10 -1.424 -6.522 0.594 1.00 0.00 C ATOM 148 CG1 ILE A 10 -1.776 -5.330 -0.303 1.00 0.00 C ATOM 149 CG2 ILE A 10 -1.426 -7.815 -0.212 1.00 0.00 C ATOM 150 CD1 ILE A 10 -1.468 -3.986 0.322 1.00 0.00 C ATOM 0 H ILE A 10 -1.187 -8.195 2.447 1.00 0.00 H new ATOM 0 HA ILE A 10 -2.367 -5.677 2.341 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.421 -6.369 0.992 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.228 -5.418 -1.241 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.837 -5.372 -0.548 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.729 -7.725 -1.046 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.121 -8.643 0.428 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.429 -8.003 -0.596 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -1.743 -3.191 -0.371 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.036 -3.875 1.246 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.402 -3.923 0.542 1.00 0.00 H new ATOM 162 N GLU A 11 -4.236 -8.099 1.155 1.00 0.00 N ATOM 163 CA GLU A 11 -5.577 -8.434 0.677 1.00 0.00 C ATOM 164 C GLU A 11 -6.649 -7.816 1.578 1.00 0.00 C ATOM 165 O GLU A 11 -7.723 -7.439 1.105 1.00 0.00 O ATOM 166 CB GLU A 11 -5.765 -9.953 0.608 1.00 0.00 C ATOM 167 CG GLU A 11 -5.492 -10.671 1.923 1.00 0.00 C ATOM 168 CD GLU A 11 -6.454 -11.817 2.178 1.00 0.00 C ATOM 169 OE1 GLU A 11 -7.645 -11.547 2.446 1.00 0.00 O ATOM 170 OE2 GLU A 11 -6.016 -12.984 2.114 1.00 0.00 O ATOM 0 H GLU A 11 -3.658 -8.906 1.389 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.685 -8.021 -0.326 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.786 -10.169 0.293 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.103 -10.356 -0.159 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.471 -11.054 1.918 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.560 -9.956 2.743 1.00 0.00 H new ATOM 177 N ASP A 12 -6.347 -7.707 2.874 1.00 0.00 N ATOM 178 CA ASP A 12 -7.282 -7.128 3.833 1.00 0.00 C ATOM 179 C ASP A 12 -6.956 -5.654 4.095 1.00 0.00 C ATOM 180 O ASP A 12 -7.104 -5.162 5.216 1.00 0.00 O ATOM 181 CB ASP A 12 -7.254 -7.918 5.149 1.00 0.00 C ATOM 182 CG ASP A 12 -8.599 -7.930 5.855 1.00 0.00 C ATOM 183 OD1 ASP A 12 -9.343 -6.931 5.745 1.00 0.00 O ATOM 184 OD2 ASP A 12 -8.909 -8.939 6.522 1.00 0.00 O ATOM 0 H ASP A 12 -5.463 -8.013 3.280 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.284 -7.186 3.407 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.946 -8.944 4.946 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.504 -7.485 5.812 1.00 0.00 H new ATOM 189 N MET A 13 -6.514 -4.951 3.051 1.00 0.00 N ATOM 190 CA MET A 13 -6.171 -3.537 3.163 1.00 0.00 C ATOM 191 C MET A 13 -7.017 -2.699 2.206 1.00 0.00 C ATOM 192 O MET A 13 -7.522 -3.206 1.203 1.00 0.00 O ATOM 193 CB MET A 13 -4.682 -3.327 2.870 1.00 0.00 C ATOM 194 CG MET A 13 -4.006 -2.342 3.809 1.00 0.00 C ATOM 195 SD MET A 13 -2.243 -2.670 4.001 1.00 0.00 S ATOM 196 CE MET A 13 -1.967 -2.102 5.677 1.00 0.00 C ATOM 0 H MET A 13 -6.386 -5.341 2.117 1.00 0.00 H new ATOM 0 HA MET A 13 -6.380 -3.214 4.183 1.00 0.00 H new ATOM 0 HB2 MET A 13 -4.169 -4.287 2.935 1.00 0.00 H new ATOM 0 HB3 MET A 13 -4.569 -2.974 1.845 1.00 0.00 H new ATOM 0 HG2 MET A 13 -4.145 -1.330 3.430 1.00 0.00 H new ATOM 0 HG3 MET A 13 -4.489 -2.386 4.785 1.00 0.00 H new ATOM 0 HE1 MET A 13 -0.900 -2.124 5.898 1.00 0.00 H new ATOM 0 HE2 MET A 13 -2.338 -1.082 5.781 1.00 0.00 H new ATOM 0 HE3 MET A 13 -2.495 -2.753 6.373 1.00 0.00 H new ATOM 206 N THR A 14 -7.162 -1.413 2.520 1.00 0.00 N ATOM 207 CA THR A 14 -7.943 -0.503 1.687 1.00 0.00 C ATOM 208 C THR A 14 -7.115 -0.016 0.503 1.00 0.00 C ATOM 209 O THR A 14 -5.893 0.097 0.595 1.00 0.00 O ATOM 210 CB THR A 14 -8.437 0.695 2.508 1.00 0.00 C ATOM 211 OG1 THR A 14 -9.080 0.262 3.695 1.00 0.00 O ATOM 212 CG2 THR A 14 -9.410 1.581 1.758 1.00 0.00 C ATOM 0 H THR A 14 -6.749 -0.979 3.345 1.00 0.00 H new ATOM 0 HA THR A 14 -8.808 -1.049 1.310 1.00 0.00 H new ATOM 0 HB THR A 14 -7.542 1.275 2.731 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.386 1.041 4.204 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.718 2.407 2.399 1.00 0.00 H new ATOM 0 HG22 THR A 14 -8.928 1.975 0.863 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.286 0.999 1.471 1.00 0.00 H new ATOM 220 N PHE A 15 -7.788 0.275 -0.604 1.00 0.00 N ATOM 221 CA PHE A 15 -7.116 0.754 -1.807 1.00 0.00 C ATOM 222 C PHE A 15 -7.644 2.125 -2.213 1.00 0.00 C ATOM 223 O PHE A 15 -8.829 2.419 -2.051 1.00 0.00 O ATOM 224 CB PHE A 15 -7.298 -0.243 -2.958 1.00 0.00 C ATOM 225 CG PHE A 15 -8.713 -0.725 -3.129 1.00 0.00 C ATOM 226 CD1 PHE A 15 -9.183 -1.807 -2.401 1.00 0.00 C ATOM 227 CD2 PHE A 15 -9.572 -0.097 -4.017 1.00 0.00 C ATOM 228 CE1 PHE A 15 -10.482 -2.253 -2.554 1.00 0.00 C ATOM 229 CE2 PHE A 15 -10.872 -0.539 -4.175 1.00 0.00 C ATOM 230 CZ PHE A 15 -11.328 -1.618 -3.442 1.00 0.00 C ATOM 0 H PHE A 15 -8.800 0.188 -0.694 1.00 0.00 H new ATOM 0 HA PHE A 15 -6.052 0.845 -1.586 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -6.969 0.225 -3.886 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -6.650 -1.103 -2.787 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -8.526 -2.308 -1.706 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -9.222 0.747 -4.592 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -10.835 -3.097 -1.980 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -11.531 -0.041 -4.871 1.00 0.00 H new ATOM 0 HZ PHE A 15 -12.344 -1.964 -3.563 1.00 0.00 H new ATOM 240 N GLU A 16 -6.754 2.960 -2.742 1.00 0.00 N ATOM 241 CA GLU A 16 -7.120 4.303 -3.177 1.00 0.00 C ATOM 242 C GLU A 16 -6.884 4.469 -4.678 1.00 0.00 C ATOM 243 O GLU A 16 -5.801 4.883 -5.103 1.00 0.00 O ATOM 244 CB GLU A 16 -6.320 5.350 -2.399 1.00 0.00 C ATOM 245 CG GLU A 16 -7.162 6.515 -1.908 1.00 0.00 C ATOM 246 CD GLU A 16 -7.643 6.325 -0.482 1.00 0.00 C ATOM 247 OE1 GLU A 16 -8.380 5.348 -0.226 1.00 0.00 O ATOM 248 OE2 GLU A 16 -7.283 7.153 0.380 1.00 0.00 O ATOM 0 H GLU A 16 -5.770 2.728 -2.880 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.181 4.449 -2.977 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.844 4.870 -1.544 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.522 5.732 -3.035 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.578 7.433 -1.972 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.023 6.639 -2.565 1.00 0.00 H new ATOM 255 N PRO A 17 -7.897 4.136 -5.506 1.00 0.00 N ATOM 256 CA PRO A 17 -7.802 4.241 -6.969 1.00 0.00 C ATOM 257 C PRO A 17 -7.727 5.695 -7.446 1.00 0.00 C ATOM 258 O PRO A 17 -8.685 6.227 -8.010 1.00 0.00 O ATOM 259 CB PRO A 17 -9.094 3.569 -7.470 1.00 0.00 C ATOM 260 CG PRO A 17 -9.645 2.838 -6.291 1.00 0.00 C ATOM 261 CD PRO A 17 -9.207 3.617 -5.088 1.00 0.00 C ATOM 0 HA PRO A 17 -6.895 3.772 -7.350 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -9.804 4.309 -7.840 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -8.887 2.886 -8.294 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -10.732 2.776 -6.342 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -9.269 1.816 -6.254 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -9.904 4.420 -4.848 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -9.130 2.987 -4.202 1.00 0.00 H new ATOM 269 N GLU A 18 -6.579 6.330 -7.216 1.00 0.00 N ATOM 270 CA GLU A 18 -6.371 7.718 -7.620 1.00 0.00 C ATOM 271 C GLU A 18 -4.891 7.993 -7.895 1.00 0.00 C ATOM 272 O GLU A 18 -4.540 8.528 -8.949 1.00 0.00 O ATOM 273 CB GLU A 18 -6.911 8.681 -6.552 1.00 0.00 C ATOM 274 CG GLU A 18 -6.510 8.328 -5.123 1.00 0.00 C ATOM 275 CD GLU A 18 -5.358 9.170 -4.603 1.00 0.00 C ATOM 276 OE1 GLU A 18 -5.331 10.389 -4.881 1.00 0.00 O ATOM 277 OE2 GLU A 18 -4.483 8.610 -3.911 1.00 0.00 O ATOM 0 H GLU A 18 -5.778 5.904 -6.751 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.923 7.886 -8.545 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.559 9.688 -6.777 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.999 8.702 -6.616 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -7.371 8.457 -4.468 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.231 7.275 -5.080 1.00 0.00 H new ATOM 284 N ASN A 19 -4.026 7.617 -6.950 1.00 0.00 N ATOM 285 CA ASN A 19 -2.584 7.815 -7.099 1.00 0.00 C ATOM 286 C ASN A 19 -1.814 6.523 -6.809 1.00 0.00 C ATOM 287 O ASN A 19 -0.650 6.562 -6.405 1.00 0.00 O ATOM 288 CB ASN A 19 -2.100 8.931 -6.167 1.00 0.00 C ATOM 289 CG ASN A 19 -2.130 10.296 -6.828 1.00 0.00 C ATOM 290 OD1 ASN A 19 -1.687 10.458 -7.966 1.00 0.00 O ATOM 291 ND2 ASN A 19 -2.652 11.289 -6.117 1.00 0.00 N ATOM 0 H ASN A 19 -4.300 7.174 -6.073 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.392 8.103 -8.133 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -2.725 8.950 -5.274 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.083 8.712 -5.841 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -2.697 12.229 -6.510 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -3.008 11.112 -5.178 1.00 0.00 H new ATOM 298 N GLN A 20 -2.468 5.378 -7.024 1.00 0.00 N ATOM 299 CA GLN A 20 -1.851 4.074 -6.792 1.00 0.00 C ATOM 300 C GLN A 20 -1.350 3.940 -5.350 1.00 0.00 C ATOM 301 O GLN A 20 -0.179 3.632 -5.110 1.00 0.00 O ATOM 302 CB GLN A 20 -0.703 3.845 -7.780 1.00 0.00 C ATOM 303 CG GLN A 20 -0.508 2.383 -8.145 1.00 0.00 C ATOM 304 CD GLN A 20 -0.971 2.059 -9.555 1.00 0.00 C ATOM 305 OE1 GLN A 20 -0.279 1.371 -10.298 1.00 0.00 O ATOM 306 NE2 GLN A 20 -2.147 2.551 -9.929 1.00 0.00 N ATOM 0 H GLN A 20 -3.430 5.331 -7.360 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.613 3.311 -6.952 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.895 4.417 -8.688 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.221 4.231 -7.349 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.547 2.127 -8.046 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -1.055 1.761 -7.436 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -2.692 3.119 -9.280 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.505 2.361 -10.865 1.00 0.00 H new ATOM 315 N MET A 21 -2.247 4.166 -4.393 1.00 0.00 N ATOM 316 CA MET A 21 -1.896 4.062 -2.980 1.00 0.00 C ATOM 317 C MET A 21 -2.949 3.265 -2.214 1.00 0.00 C ATOM 318 O MET A 21 -4.110 3.202 -2.620 1.00 0.00 O ATOM 319 CB MET A 21 -1.725 5.453 -2.361 1.00 0.00 C ATOM 320 CG MET A 21 -3.006 6.270 -2.298 1.00 0.00 C ATOM 321 SD MET A 21 -2.824 7.762 -1.300 1.00 0.00 S ATOM 322 CE MET A 21 -3.579 7.238 0.238 1.00 0.00 C ATOM 0 H MET A 21 -3.219 4.421 -4.570 1.00 0.00 H new ATOM 0 HA MET A 21 -0.946 3.532 -2.908 1.00 0.00 H new ATOM 0 HB2 MET A 21 -1.328 5.343 -1.352 1.00 0.00 H new ATOM 0 HB3 MET A 21 -0.983 6.006 -2.937 1.00 0.00 H new ATOM 0 HG2 MET A 21 -3.307 6.547 -3.308 1.00 0.00 H new ATOM 0 HG3 MET A 21 -3.806 5.655 -1.885 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.543 8.055 0.958 1.00 0.00 H new ATOM 0 HE2 MET A 21 -4.617 6.959 0.057 1.00 0.00 H new ATOM 0 HE3 MET A 21 -3.037 6.380 0.636 1.00 0.00 H new ATOM 332 N PHE A 22 -2.530 2.652 -1.110 1.00 0.00 N ATOM 333 CA PHE A 22 -3.428 1.851 -0.284 1.00 0.00 C ATOM 334 C PHE A 22 -3.529 2.421 1.127 1.00 0.00 C ATOM 335 O PHE A 22 -2.566 2.986 1.650 1.00 0.00 O ATOM 336 CB PHE A 22 -2.939 0.402 -0.223 1.00 0.00 C ATOM 337 CG PHE A 22 -3.436 -0.455 -1.356 1.00 0.00 C ATOM 338 CD1 PHE A 22 -3.230 -0.077 -2.675 1.00 0.00 C ATOM 339 CD2 PHE A 22 -4.108 -1.639 -1.102 1.00 0.00 C ATOM 340 CE1 PHE A 22 -3.683 -0.864 -3.715 1.00 0.00 C ATOM 341 CE2 PHE A 22 -4.564 -2.431 -2.138 1.00 0.00 C ATOM 342 CZ PHE A 22 -4.352 -2.043 -3.447 1.00 0.00 C ATOM 0 H PHE A 22 -1.571 2.695 -0.766 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.418 1.879 -0.739 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.849 0.396 -0.226 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -3.258 -0.040 0.721 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -2.709 0.844 -2.891 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.278 -1.947 -0.081 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.515 -0.558 -4.737 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.086 -3.352 -1.925 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.708 -2.660 -4.259 1.00 0.00 H new ATOM 352 N THR A 23 -4.700 2.265 1.740 1.00 0.00 N ATOM 353 CA THR A 23 -4.934 2.760 3.092 1.00 0.00 C ATOM 354 C THR A 23 -5.385 1.634 4.023 1.00 0.00 C ATOM 355 O THR A 23 -5.618 0.508 3.585 1.00 0.00 O ATOM 356 CB THR A 23 -5.979 3.879 3.076 1.00 0.00 C ATOM 357 OG1 THR A 23 -7.117 3.498 2.320 1.00 0.00 O ATOM 358 CG2 THR A 23 -5.455 5.176 2.499 1.00 0.00 C ATOM 0 H THR A 23 -5.503 1.798 1.319 1.00 0.00 H new ATOM 0 HA THR A 23 -3.992 3.158 3.471 1.00 0.00 H new ATOM 0 HB THR A 23 -6.241 4.044 4.121 1.00 0.00 H new ATOM 0 HG1 THR A 23 -7.772 4.227 2.325 1.00 0.00 H new ATOM 0 HG21 THR A 23 -6.245 5.927 2.517 1.00 0.00 H new ATOM 0 HG22 THR A 23 -4.610 5.524 3.093 1.00 0.00 H new ATOM 0 HG23 THR A 23 -5.132 5.013 1.471 1.00 0.00 H new ATOM 366 N TYR A 24 -5.504 1.948 5.313 1.00 0.00 N ATOM 367 CA TYR A 24 -5.927 0.967 6.309 1.00 0.00 C ATOM 368 C TYR A 24 -6.164 1.637 7.658 1.00 0.00 C ATOM 369 O TYR A 24 -5.216 1.908 8.396 1.00 0.00 O ATOM 370 CB TYR A 24 -4.873 -0.137 6.451 1.00 0.00 C ATOM 371 CG TYR A 24 -5.318 -1.306 7.307 1.00 0.00 C ATOM 372 CD1 TYR A 24 -6.264 -2.212 6.845 1.00 0.00 C ATOM 373 CD2 TYR A 24 -4.787 -1.503 8.576 1.00 0.00 C ATOM 374 CE1 TYR A 24 -6.669 -3.280 7.622 1.00 0.00 C ATOM 375 CE2 TYR A 24 -5.185 -2.569 9.358 1.00 0.00 C ATOM 376 CZ TYR A 24 -6.126 -3.455 8.878 1.00 0.00 C ATOM 377 OH TYR A 24 -6.524 -4.520 9.656 1.00 0.00 O ATOM 0 H TYR A 24 -5.313 2.876 5.692 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.863 0.522 5.972 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.611 -0.505 5.459 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.968 0.292 6.881 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.690 -2.079 5.862 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -4.051 -0.811 8.957 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -7.407 -3.974 7.248 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.761 -2.708 10.341 1.00 0.00 H new ATOM 0 HH TYR A 24 -6.045 -4.498 10.511 1.00 0.00 H new ATOM 387 N PRO A 25 -7.438 1.920 7.999 1.00 0.00 N ATOM 388 CA PRO A 25 -7.794 2.565 9.268 1.00 0.00 C ATOM 389 C PRO A 25 -7.169 1.857 10.467 1.00 0.00 C ATOM 390 O PRO A 25 -7.669 0.827 10.923 1.00 0.00 O ATOM 391 CB PRO A 25 -9.321 2.457 9.310 1.00 0.00 C ATOM 392 CG PRO A 25 -9.736 2.364 7.883 1.00 0.00 C ATOM 393 CD PRO A 25 -8.628 1.636 7.172 1.00 0.00 C ATOM 0 HA PRO A 25 -7.430 3.591 9.323 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -9.640 1.580 9.873 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -9.766 3.326 9.795 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.680 1.827 7.786 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.888 3.355 7.456 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -8.827 0.566 7.110 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -8.502 1.997 6.151 1.00 0.00 H new ATOM 401 N CYS A 26 -6.067 2.413 10.965 1.00 0.00 N ATOM 402 CA CYS A 26 -5.363 1.839 12.107 1.00 0.00 C ATOM 403 C CYS A 26 -6.269 1.793 13.334 1.00 0.00 C ATOM 404 O CYS A 26 -7.008 2.743 13.602 1.00 0.00 O ATOM 405 CB CYS A 26 -4.102 2.651 12.420 1.00 0.00 C ATOM 406 SG CYS A 26 -3.061 1.942 13.740 1.00 0.00 S ATOM 0 H CYS A 26 -5.642 3.263 10.594 1.00 0.00 H new ATOM 0 HA CYS A 26 -5.074 0.820 11.849 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.506 2.739 11.512 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.396 3.660 12.708 1.00 0.00 H new ATOM 411 N PRO A 27 -6.223 0.683 14.098 1.00 0.00 N ATOM 412 CA PRO A 27 -7.041 0.517 15.305 1.00 0.00 C ATOM 413 C PRO A 27 -6.911 1.692 16.276 1.00 0.00 C ATOM 414 O PRO A 27 -7.818 1.945 17.071 1.00 0.00 O ATOM 415 CB PRO A 27 -6.483 -0.761 15.937 1.00 0.00 C ATOM 416 CG PRO A 27 -5.912 -1.525 14.797 1.00 0.00 C ATOM 417 CD PRO A 27 -5.371 -0.495 13.844 1.00 0.00 C ATOM 0 HA PRO A 27 -8.104 0.468 15.068 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -5.722 -0.534 16.683 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.265 -1.328 16.442 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.124 -2.199 15.133 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -6.674 -2.140 14.317 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -4.320 -0.281 14.038 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.443 -0.828 12.809 1.00 0.00 H new ATOM 425 N CYS A 28 -5.784 2.409 16.209 1.00 0.00 N ATOM 426 CA CYS A 28 -5.554 3.554 17.087 1.00 0.00 C ATOM 427 C CYS A 28 -6.523 4.699 16.771 1.00 0.00 C ATOM 428 O CYS A 28 -7.000 5.385 17.679 1.00 0.00 O ATOM 429 CB CYS A 28 -4.099 4.032 16.977 1.00 0.00 C ATOM 430 SG CYS A 28 -3.793 5.260 15.662 1.00 0.00 S ATOM 0 H CYS A 28 -5.022 2.216 15.559 1.00 0.00 H new ATOM 0 HA CYS A 28 -5.738 3.234 18.112 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -3.800 4.462 17.933 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -3.459 3.167 16.802 1.00 0.00 H new ATOM 435 N GLY A 29 -6.810 4.901 15.483 1.00 0.00 N ATOM 436 CA GLY A 29 -7.719 5.963 15.080 1.00 0.00 C ATOM 437 C GLY A 29 -7.430 6.493 13.686 1.00 0.00 C ATOM 438 O GLY A 29 -8.350 6.696 12.893 1.00 0.00 O ATOM 0 H GLY A 29 -6.429 4.349 14.715 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.743 5.591 15.116 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -7.652 6.782 15.796 1.00 0.00 H new ATOM 442 N ASP A 30 -6.152 6.723 13.388 1.00 0.00 N ATOM 443 CA ASP A 30 -5.745 7.238 12.080 1.00 0.00 C ATOM 444 C ASP A 30 -5.883 6.168 10.992 1.00 0.00 C ATOM 445 O ASP A 30 -6.417 5.085 11.239 1.00 0.00 O ATOM 446 CB ASP A 30 -4.300 7.745 12.145 1.00 0.00 C ATOM 447 CG ASP A 30 -4.081 8.997 11.318 1.00 0.00 C ATOM 448 OD1 ASP A 30 -4.719 10.029 11.618 1.00 0.00 O ATOM 449 OD2 ASP A 30 -3.273 8.945 10.367 1.00 0.00 O ATOM 0 H ASP A 30 -5.380 6.561 14.034 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.406 8.065 11.820 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.038 7.950 13.183 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.628 6.961 11.795 1.00 0.00 H new ATOM 454 N ARG A 31 -5.405 6.477 9.784 1.00 0.00 N ATOM 455 CA ARG A 31 -5.482 5.542 8.666 1.00 0.00 C ATOM 456 C ARG A 31 -4.122 5.380 7.992 1.00 0.00 C ATOM 457 O ARG A 31 -3.516 6.360 7.554 1.00 0.00 O ATOM 458 CB ARG A 31 -6.515 6.024 7.645 1.00 0.00 C ATOM 459 CG ARG A 31 -6.823 4.999 6.563 1.00 0.00 C ATOM 460 CD ARG A 31 -8.072 5.365 5.772 1.00 0.00 C ATOM 461 NE ARG A 31 -9.240 5.551 6.634 1.00 0.00 N ATOM 462 CZ ARG A 31 -10.405 6.050 6.216 1.00 0.00 C ATOM 463 NH1 ARG A 31 -10.569 6.411 4.946 1.00 0.00 N ATOM 464 NH2 ARG A 31 -11.410 6.193 7.073 1.00 0.00 N ATOM 0 H ARG A 31 -4.961 7.367 9.558 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.789 4.572 9.057 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.438 6.279 8.166 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.151 6.938 7.176 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -5.974 4.921 5.884 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.957 4.018 7.020 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -7.888 6.281 5.210 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.281 4.581 5.044 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.159 5.283 7.615 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -9.801 6.307 4.283 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.463 6.791 4.635 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.291 5.922 8.049 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -12.301 6.574 6.755 1.00 0.00 H new ATOM 478 N PHE A 32 -3.651 4.134 7.906 1.00 0.00 N ATOM 479 CA PHE A 32 -2.364 3.835 7.278 1.00 0.00 C ATOM 480 C PHE A 32 -2.365 4.253 5.809 1.00 0.00 C ATOM 481 O PHE A 32 -3.421 4.338 5.180 1.00 0.00 O ATOM 482 CB PHE A 32 -2.053 2.339 7.387 1.00 0.00 C ATOM 483 CG PHE A 32 -1.073 1.998 8.476 1.00 0.00 C ATOM 484 CD1 PHE A 32 0.278 2.270 8.323 1.00 0.00 C ATOM 485 CD2 PHE A 32 -1.502 1.399 9.649 1.00 0.00 C ATOM 486 CE1 PHE A 32 1.181 1.951 9.319 1.00 0.00 C ATOM 487 CE2 PHE A 32 -0.603 1.076 10.649 1.00 0.00 C ATOM 488 CZ PHE A 32 0.740 1.353 10.483 1.00 0.00 C ATOM 0 H PHE A 32 -4.143 3.315 8.264 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.594 4.401 7.802 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.982 1.797 7.565 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.657 1.990 6.433 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.629 2.737 7.414 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.551 1.182 9.784 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.231 2.169 9.187 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.950 0.608 11.558 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.444 1.102 11.262 1.00 0.00 H new ATOM 498 N GLN A 33 -1.174 4.510 5.265 1.00 0.00 N ATOM 499 CA GLN A 33 -1.040 4.914 3.867 1.00 0.00 C ATOM 500 C GLN A 33 0.263 4.392 3.265 1.00 0.00 C ATOM 501 O GLN A 33 1.352 4.829 3.645 1.00 0.00 O ATOM 502 CB GLN A 33 -1.103 6.441 3.738 1.00 0.00 C ATOM 503 CG GLN A 33 -0.273 7.184 4.775 1.00 0.00 C ATOM 504 CD GLN A 33 0.075 8.595 4.341 1.00 0.00 C ATOM 505 OE1 GLN A 33 -0.661 9.541 4.621 1.00 0.00 O ATOM 506 NE2 GLN A 33 1.202 8.745 3.653 1.00 0.00 N ATOM 0 H GLN A 33 -0.291 4.445 5.771 1.00 0.00 H new ATOM 0 HA GLN A 33 -1.872 4.478 3.314 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.762 6.726 2.743 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.142 6.760 3.822 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.823 7.222 5.715 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.646 6.629 4.965 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.783 7.933 3.443 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.486 9.672 3.335 1.00 0.00 H new ATOM 515 N ILE A 34 0.143 3.457 2.325 1.00 0.00 N ATOM 516 CA ILE A 34 1.309 2.874 1.666 1.00 0.00 C ATOM 517 C ILE A 34 1.046 2.664 0.174 1.00 0.00 C ATOM 518 O ILE A 34 -0.015 2.175 -0.217 1.00 0.00 O ATOM 519 CB ILE A 34 1.713 1.530 2.318 1.00 0.00 C ATOM 520 CG1 ILE A 34 3.025 1.014 1.715 1.00 0.00 C ATOM 521 CG2 ILE A 34 0.605 0.497 2.161 1.00 0.00 C ATOM 522 CD1 ILE A 34 3.961 0.399 2.735 1.00 0.00 C ATOM 0 H ILE A 34 -0.751 3.087 2.002 1.00 0.00 H new ATOM 0 HA ILE A 34 2.132 3.578 1.786 1.00 0.00 H new ATOM 0 HB ILE A 34 1.867 1.700 3.384 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.796 0.272 0.950 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.535 1.838 1.217 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.912 -0.439 2.627 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.303 0.861 2.642 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.412 0.329 1.102 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.868 0.056 2.237 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.220 1.144 3.487 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.470 -0.447 3.216 1.00 0.00 H new ATOM 534 N TYR A 35 2.018 3.043 -0.653 1.00 0.00 N ATOM 535 CA TYR A 35 1.897 2.903 -2.104 1.00 0.00 C ATOM 536 C TYR A 35 2.379 1.527 -2.562 1.00 0.00 C ATOM 537 O TYR A 35 3.095 0.836 -1.834 1.00 0.00 O ATOM 538 CB TYR A 35 2.699 4.003 -2.806 1.00 0.00 C ATOM 539 CG TYR A 35 2.065 5.376 -2.709 1.00 0.00 C ATOM 540 CD1 TYR A 35 1.847 5.979 -1.475 1.00 0.00 C ATOM 541 CD2 TYR A 35 1.684 6.068 -3.852 1.00 0.00 C ATOM 542 CE1 TYR A 35 1.268 7.230 -1.383 1.00 0.00 C ATOM 543 CE2 TYR A 35 1.106 7.321 -3.768 1.00 0.00 C ATOM 544 CZ TYR A 35 0.900 7.897 -2.532 1.00 0.00 C ATOM 545 OH TYR A 35 0.323 9.143 -2.445 1.00 0.00 O ATOM 0 H TYR A 35 2.900 3.450 -0.343 1.00 0.00 H new ATOM 0 HA TYR A 35 0.845 3.002 -2.371 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.699 4.043 -2.374 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.816 3.740 -3.857 1.00 0.00 H new ATOM 0 HD1 TYR A 35 2.135 5.460 -0.573 1.00 0.00 H new ATOM 0 HD2 TYR A 35 1.842 5.620 -4.822 1.00 0.00 H new ATOM 0 HE1 TYR A 35 1.105 7.683 -0.416 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.817 7.846 -4.666 1.00 0.00 H new ATOM 0 HH TYR A 35 -0.597 9.055 -2.120 1.00 0.00 H new ATOM 555 N LEU A 36 1.983 1.137 -3.775 1.00 0.00 N ATOM 556 CA LEU A 36 2.373 -0.159 -4.336 1.00 0.00 C ATOM 557 C LEU A 36 3.893 -0.270 -4.463 1.00 0.00 C ATOM 558 O LEU A 36 4.478 -1.285 -4.082 1.00 0.00 O ATOM 559 CB LEU A 36 1.712 -0.376 -5.704 1.00 0.00 C ATOM 560 CG LEU A 36 0.232 -0.785 -5.672 1.00 0.00 C ATOM 561 CD1 LEU A 36 0.033 -2.046 -4.842 1.00 0.00 C ATOM 562 CD2 LEU A 36 -0.635 0.349 -5.138 1.00 0.00 C ATOM 0 H LEU A 36 1.393 1.699 -4.388 1.00 0.00 H new ATOM 0 HA LEU A 36 2.029 -0.935 -3.652 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.803 0.544 -6.281 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.271 -1.144 -6.239 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.077 -0.998 -6.695 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.023 -2.314 -4.835 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.612 -2.862 -5.275 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.368 -1.866 -3.821 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.678 0.034 -5.125 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.320 0.602 -4.126 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.527 1.223 -5.781 1.00 0.00 H new ATOM 574 N ASP A 37 4.529 0.778 -4.991 1.00 0.00 N ATOM 575 CA ASP A 37 5.986 0.796 -5.153 1.00 0.00 C ATOM 576 C ASP A 37 6.683 0.658 -3.801 1.00 0.00 C ATOM 577 O ASP A 37 7.726 0.012 -3.694 1.00 0.00 O ATOM 578 CB ASP A 37 6.436 2.089 -5.830 1.00 0.00 C ATOM 579 CG ASP A 37 6.374 2.004 -7.341 1.00 0.00 C ATOM 580 OD1 ASP A 37 7.329 1.472 -7.945 1.00 0.00 O ATOM 581 OD2 ASP A 37 5.371 2.470 -7.920 1.00 0.00 O ATOM 0 H ASP A 37 4.060 1.624 -5.313 1.00 0.00 H new ATOM 0 HA ASP A 37 6.262 -0.051 -5.782 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.807 2.912 -5.489 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.456 2.320 -5.524 1.00 0.00 H new ATOM 586 N ASP A 38 6.094 1.270 -2.772 1.00 0.00 N ATOM 587 CA ASP A 38 6.647 1.214 -1.423 1.00 0.00 C ATOM 588 C ASP A 38 6.713 -0.229 -0.931 1.00 0.00 C ATOM 589 O ASP A 38 7.696 -0.641 -0.318 1.00 0.00 O ATOM 590 CB ASP A 38 5.800 2.056 -0.466 1.00 0.00 C ATOM 591 CG ASP A 38 6.643 2.779 0.563 1.00 0.00 C ATOM 592 OD1 ASP A 38 7.175 3.860 0.237 1.00 0.00 O ATOM 593 OD2 ASP A 38 6.773 2.263 1.693 1.00 0.00 O ATOM 0 H ASP A 38 5.233 1.810 -2.850 1.00 0.00 H new ATOM 0 HA ASP A 38 7.658 1.620 -1.449 1.00 0.00 H new ATOM 0 HB2 ASP A 38 5.225 2.784 -1.038 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.082 1.412 0.043 1.00 0.00 H new ATOM 598 N MET A 39 5.658 -0.993 -1.221 1.00 0.00 N ATOM 599 CA MET A 39 5.586 -2.399 -0.828 1.00 0.00 C ATOM 600 C MET A 39 6.132 -3.311 -1.936 1.00 0.00 C ATOM 601 O MET A 39 5.703 -4.457 -2.074 1.00 0.00 O ATOM 602 CB MET A 39 4.138 -2.776 -0.496 1.00 0.00 C ATOM 603 CG MET A 39 3.698 -2.343 0.894 1.00 0.00 C ATOM 604 SD MET A 39 3.798 -3.679 2.101 1.00 0.00 S ATOM 605 CE MET A 39 2.095 -4.229 2.135 1.00 0.00 C ATOM 0 H MET A 39 4.839 -0.658 -1.729 1.00 0.00 H new ATOM 0 HA MET A 39 6.205 -2.539 0.059 1.00 0.00 H new ATOM 0 HB2 MET A 39 3.476 -2.324 -1.234 1.00 0.00 H new ATOM 0 HB3 MET A 39 4.024 -3.856 -0.584 1.00 0.00 H new ATOM 0 HG2 MET A 39 4.320 -1.512 1.225 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.673 -1.976 0.848 1.00 0.00 H new ATOM 0 HE1 MET A 39 2.054 -5.265 2.471 1.00 0.00 H new ATOM 0 HE2 MET A 39 1.524 -3.602 2.820 1.00 0.00 H new ATOM 0 HE3 MET A 39 1.669 -4.155 1.135 1.00 0.00 H new ATOM 615 N PHE A 40 7.082 -2.794 -2.719 1.00 0.00 N ATOM 616 CA PHE A 40 7.693 -3.556 -3.809 1.00 0.00 C ATOM 617 C PHE A 40 9.219 -3.569 -3.687 1.00 0.00 C ATOM 618 O PHE A 40 9.854 -4.607 -3.883 1.00 0.00 O ATOM 619 CB PHE A 40 7.285 -2.970 -5.166 1.00 0.00 C ATOM 620 CG PHE A 40 7.834 -3.731 -6.345 1.00 0.00 C ATOM 621 CD1 PHE A 40 7.803 -5.117 -6.370 1.00 0.00 C ATOM 622 CD2 PHE A 40 8.382 -3.059 -7.427 1.00 0.00 C ATOM 623 CE1 PHE A 40 8.307 -5.817 -7.449 1.00 0.00 C ATOM 624 CE2 PHE A 40 8.887 -3.754 -8.510 1.00 0.00 C ATOM 625 CZ PHE A 40 8.850 -5.135 -8.520 1.00 0.00 C ATOM 0 H PHE A 40 7.446 -1.846 -2.617 1.00 0.00 H new ATOM 0 HA PHE A 40 7.333 -4.583 -3.740 1.00 0.00 H new ATOM 0 HB2 PHE A 40 6.197 -2.952 -5.231 1.00 0.00 H new ATOM 0 HB3 PHE A 40 7.625 -1.936 -5.222 1.00 0.00 H new ATOM 0 HD1 PHE A 40 7.380 -5.656 -5.535 1.00 0.00 H new ATOM 0 HD2 PHE A 40 8.415 -1.980 -7.424 1.00 0.00 H new ATOM 0 HE1 PHE A 40 8.276 -6.897 -7.455 1.00 0.00 H new ATOM 0 HE2 PHE A 40 9.310 -3.218 -9.347 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.245 -5.680 -9.364 1.00 0.00 H new ATOM 635 N GLU A 41 9.802 -2.409 -3.376 1.00 0.00 N ATOM 636 CA GLU A 41 11.253 -2.281 -3.240 1.00 0.00 C ATOM 637 C GLU A 41 11.797 -3.209 -2.156 1.00 0.00 C ATOM 638 O GLU A 41 12.515 -4.165 -2.450 1.00 0.00 O ATOM 639 CB GLU A 41 11.628 -0.829 -2.923 1.00 0.00 C ATOM 640 CG GLU A 41 11.896 0.013 -4.160 1.00 0.00 C ATOM 641 CD GLU A 41 10.638 0.270 -4.972 1.00 0.00 C ATOM 642 OE1 GLU A 41 10.245 -0.619 -5.758 1.00 0.00 O ATOM 643 OE2 GLU A 41 10.043 1.358 -4.819 1.00 0.00 O ATOM 0 H GLU A 41 9.289 -1.543 -3.213 1.00 0.00 H new ATOM 0 HA GLU A 41 11.703 -2.572 -4.189 1.00 0.00 H new ATOM 0 HB2 GLU A 41 10.822 -0.371 -2.349 1.00 0.00 H new ATOM 0 HB3 GLU A 41 12.515 -0.821 -2.289 1.00 0.00 H new ATOM 0 HG2 GLU A 41 12.332 0.966 -3.860 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.632 -0.491 -4.786 1.00 0.00 H new ATOM 650 N GLY A 42 11.456 -2.919 -0.904 1.00 0.00 N ATOM 651 CA GLY A 42 11.927 -3.738 0.197 1.00 0.00 C ATOM 652 C GLY A 42 11.238 -3.405 1.503 1.00 0.00 C ATOM 653 O GLY A 42 11.895 -3.089 2.495 1.00 0.00 O ATOM 0 H GLY A 42 10.864 -2.134 -0.633 1.00 0.00 H new ATOM 0 HA2 GLY A 42 11.762 -4.789 -0.040 1.00 0.00 H new ATOM 0 HA3 GLY A 42 13.002 -3.603 0.312 1.00 0.00 H new ATOM 657 N GLU A 43 9.911 -3.472 1.501 1.00 0.00 N ATOM 658 CA GLU A 43 9.129 -3.173 2.692 1.00 0.00 C ATOM 659 C GLU A 43 8.488 -4.431 3.255 1.00 0.00 C ATOM 660 O GLU A 43 8.346 -5.435 2.555 1.00 0.00 O ATOM 661 CB GLU A 43 8.050 -2.137 2.369 1.00 0.00 C ATOM 662 CG GLU A 43 8.399 -0.724 2.817 1.00 0.00 C ATOM 663 CD GLU A 43 9.734 -0.248 2.279 1.00 0.00 C ATOM 664 OE1 GLU A 43 10.774 -0.572 2.894 1.00 0.00 O ATOM 665 OE2 GLU A 43 9.742 0.448 1.243 1.00 0.00 O ATOM 0 H GLU A 43 9.355 -3.731 0.686 1.00 0.00 H new ATOM 0 HA GLU A 43 9.803 -2.766 3.445 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.873 -2.134 1.293 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.117 -2.438 2.844 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.616 -0.040 2.489 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.418 -0.688 3.906 1.00 0.00 H new ATOM 672 N LYS A 44 8.103 -4.368 4.526 1.00 0.00 N ATOM 673 CA LYS A 44 7.474 -5.505 5.186 1.00 0.00 C ATOM 674 C LYS A 44 6.771 -5.089 6.479 1.00 0.00 C ATOM 675 O LYS A 44 5.640 -5.502 6.735 1.00 0.00 O ATOM 676 CB LYS A 44 8.508 -6.599 5.471 1.00 0.00 C ATOM 677 CG LYS A 44 9.822 -6.084 6.046 1.00 0.00 C ATOM 678 CD LYS A 44 10.997 -6.403 5.132 1.00 0.00 C ATOM 679 CE LYS A 44 11.204 -7.905 4.994 1.00 0.00 C ATOM 680 NZ LYS A 44 12.226 -8.425 5.948 1.00 0.00 N ATOM 0 H LYS A 44 8.215 -3.544 5.117 1.00 0.00 H new ATOM 0 HA LYS A 44 6.717 -5.901 4.509 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.077 -7.318 6.168 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.715 -7.137 4.546 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.757 -5.006 6.194 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.991 -6.531 7.026 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.823 -5.967 4.148 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.903 -5.945 5.529 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.257 -8.417 5.164 1.00 0.00 H new ATOM 0 HE3 LYS A 44 11.512 -8.135 3.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.333 -9.451 5.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 13.137 -7.957 5.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.922 -8.230 6.923 1.00 0.00 H new ATOM 694 N VAL A 45 7.441 -4.273 7.291 1.00 0.00 N ATOM 695 CA VAL A 45 6.871 -3.813 8.552 1.00 0.00 C ATOM 696 C VAL A 45 6.683 -2.297 8.550 1.00 0.00 C ATOM 697 O VAL A 45 7.654 -1.537 8.528 1.00 0.00 O ATOM 698 CB VAL A 45 7.751 -4.237 9.750 1.00 0.00 C ATOM 699 CG1 VAL A 45 9.152 -3.651 9.636 1.00 0.00 C ATOM 700 CG2 VAL A 45 7.096 -3.838 11.065 1.00 0.00 C ATOM 0 H VAL A 45 8.377 -3.918 7.097 1.00 0.00 H new ATOM 0 HA VAL A 45 5.893 -4.283 8.658 1.00 0.00 H new ATOM 0 HB VAL A 45 7.845 -5.323 9.734 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.749 -3.966 10.492 1.00 0.00 H new ATOM 0 HG12 VAL A 45 9.621 -4.004 8.717 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.091 -2.563 9.617 1.00 0.00 H new ATOM 0 HG21 VAL A 45 7.731 -4.145 11.896 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.962 -2.757 11.091 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.125 -4.326 11.151 1.00 0.00 H new ATOM 710 N ALA A 46 5.424 -1.865 8.564 1.00 0.00 N ATOM 711 CA ALA A 46 5.101 -0.443 8.555 1.00 0.00 C ATOM 712 C ALA A 46 4.869 0.088 9.968 1.00 0.00 C ATOM 713 O ALA A 46 4.749 -0.685 10.922 1.00 0.00 O ATOM 714 CB ALA A 46 3.878 -0.188 7.688 1.00 0.00 C ATOM 0 H ALA A 46 4.611 -2.481 8.582 1.00 0.00 H new ATOM 0 HA ALA A 46 5.954 0.091 8.136 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.647 0.877 7.689 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.081 -0.514 6.668 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.029 -0.744 8.085 1.00 0.00 H new ATOM 720 N VAL A 47 4.809 1.414 10.091 1.00 0.00 N ATOM 721 CA VAL A 47 4.595 2.057 11.384 1.00 0.00 C ATOM 722 C VAL A 47 3.646 3.246 11.259 1.00 0.00 C ATOM 723 O VAL A 47 3.876 4.152 10.456 1.00 0.00 O ATOM 724 CB VAL A 47 5.927 2.540 11.999 1.00 0.00 C ATOM 725 CG1 VAL A 47 5.724 3.000 13.436 1.00 0.00 C ATOM 726 CG2 VAL A 47 6.980 1.442 11.929 1.00 0.00 C ATOM 0 H VAL A 47 4.906 2.063 9.310 1.00 0.00 H new ATOM 0 HA VAL A 47 4.150 1.308 12.039 1.00 0.00 H new ATOM 0 HB VAL A 47 6.281 3.391 11.417 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.675 3.336 13.848 1.00 0.00 H new ATOM 0 HG12 VAL A 47 5.009 3.822 13.457 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.342 2.172 14.033 1.00 0.00 H new ATOM 0 HG21 VAL A 47 7.911 1.802 12.367 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.633 0.569 12.482 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.151 1.168 10.888 1.00 0.00 H new ATOM 736 N CYS A 48 2.585 3.237 12.063 1.00 0.00 N ATOM 737 CA CYS A 48 1.602 4.318 12.053 1.00 0.00 C ATOM 738 C CYS A 48 2.178 5.563 12.724 1.00 0.00 C ATOM 739 O CYS A 48 2.453 5.550 13.920 1.00 0.00 O ATOM 740 CB CYS A 48 0.321 3.881 12.775 1.00 0.00 C ATOM 741 SG CYS A 48 -0.957 5.176 12.906 1.00 0.00 S ATOM 0 H CYS A 48 2.384 2.492 12.730 1.00 0.00 H new ATOM 0 HA CYS A 48 1.359 4.555 11.017 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -0.101 3.024 12.251 1.00 0.00 H new ATOM 0 HB3 CYS A 48 0.582 3.544 13.778 1.00 0.00 H new ATOM 746 N PRO A 49 2.374 6.657 11.965 1.00 0.00 N ATOM 747 CA PRO A 49 2.922 7.910 12.508 1.00 0.00 C ATOM 748 C PRO A 49 2.068 8.493 13.638 1.00 0.00 C ATOM 749 O PRO A 49 2.553 9.301 14.431 1.00 0.00 O ATOM 750 CB PRO A 49 2.926 8.856 11.302 1.00 0.00 C ATOM 751 CG PRO A 49 2.889 7.962 10.111 1.00 0.00 C ATOM 752 CD PRO A 49 2.085 6.764 10.525 1.00 0.00 C ATOM 0 HA PRO A 49 3.906 7.755 12.951 1.00 0.00 H new ATOM 0 HB2 PRO A 49 2.065 9.524 11.321 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.817 9.485 11.296 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.432 8.465 9.259 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.895 7.672 9.808 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.021 6.906 10.336 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.388 5.867 9.984 1.00 0.00 H new ATOM 760 N SER A 50 0.797 8.087 13.703 1.00 0.00 N ATOM 761 CA SER A 50 -0.114 8.579 14.733 1.00 0.00 C ATOM 762 C SER A 50 0.171 7.924 16.087 1.00 0.00 C ATOM 763 O SER A 50 0.612 8.593 17.023 1.00 0.00 O ATOM 764 CB SER A 50 -1.570 8.332 14.323 1.00 0.00 C ATOM 765 OG SER A 50 -2.353 9.500 14.495 1.00 0.00 O ATOM 0 H SER A 50 0.379 7.420 13.055 1.00 0.00 H new ATOM 0 HA SER A 50 0.048 9.652 14.835 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.609 8.015 13.281 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.986 7.520 14.919 1.00 0.00 H new ATOM 0 HG SER A 50 -3.232 9.255 14.852 1.00 0.00 H new ATOM 771 N CYS A 51 -0.084 6.618 16.188 1.00 0.00 N ATOM 772 CA CYS A 51 0.145 5.888 17.439 1.00 0.00 C ATOM 773 C CYS A 51 1.604 5.447 17.585 1.00 0.00 C ATOM 774 O CYS A 51 2.073 5.195 18.698 1.00 0.00 O ATOM 775 CB CYS A 51 -0.780 4.668 17.529 1.00 0.00 C ATOM 776 SG CYS A 51 -0.418 3.353 16.320 1.00 0.00 S ATOM 0 H CYS A 51 -0.447 6.046 15.425 1.00 0.00 H new ATOM 0 HA CYS A 51 -0.081 6.573 18.256 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -0.712 4.250 18.533 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -1.810 4.998 17.391 1.00 0.00 H new ATOM 781 N SER A 52 2.314 5.347 16.462 1.00 0.00 N ATOM 782 CA SER A 52 3.715 4.930 16.459 1.00 0.00 C ATOM 783 C SER A 52 3.842 3.441 16.799 1.00 0.00 C ATOM 784 O SER A 52 4.754 3.032 17.522 1.00 0.00 O ATOM 785 CB SER A 52 4.527 5.778 17.444 1.00 0.00 C ATOM 786 OG SER A 52 5.869 5.916 17.011 1.00 0.00 O ATOM 0 H SER A 52 1.938 5.551 15.536 1.00 0.00 H new ATOM 0 HA SER A 52 4.115 5.084 15.457 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.070 6.763 17.543 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.506 5.316 18.431 1.00 0.00 H new ATOM 0 HG SER A 52 6.366 6.462 17.655 1.00 0.00 H new ATOM 792 N LEU A 53 2.918 2.637 16.271 1.00 0.00 N ATOM 793 CA LEU A 53 2.916 1.196 16.510 1.00 0.00 C ATOM 794 C LEU A 53 3.502 0.443 15.316 1.00 0.00 C ATOM 795 O LEU A 53 3.299 0.832 14.164 1.00 0.00 O ATOM 796 CB LEU A 53 1.489 0.716 16.794 1.00 0.00 C ATOM 797 CG LEU A 53 1.351 -0.770 17.134 1.00 0.00 C ATOM 798 CD1 LEU A 53 1.541 -0.996 18.625 1.00 0.00 C ATOM 799 CD2 LEU A 53 -0.004 -1.293 16.680 1.00 0.00 C ATOM 0 H LEU A 53 2.159 2.963 15.673 1.00 0.00 H new ATOM 0 HA LEU A 53 3.541 0.989 17.379 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.086 1.300 17.622 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.871 0.931 15.922 1.00 0.00 H new ATOM 0 HG LEU A 53 2.128 -1.321 16.604 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.439 -2.058 18.848 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.534 -0.656 18.921 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.786 -0.436 19.177 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.088 -2.351 16.929 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.796 -0.738 17.184 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.101 -1.165 15.602 1.00 0.00 H new ATOM 811 N MET A 54 4.233 -0.636 15.601 1.00 0.00 N ATOM 812 CA MET A 54 4.855 -1.446 14.554 1.00 0.00 C ATOM 813 C MET A 54 3.971 -2.638 14.182 1.00 0.00 C ATOM 814 O MET A 54 3.393 -3.290 15.056 1.00 0.00 O ATOM 815 CB MET A 54 6.231 -1.942 15.011 1.00 0.00 C ATOM 816 CG MET A 54 7.336 -0.898 14.901 1.00 0.00 C ATOM 817 SD MET A 54 8.931 -1.515 15.478 1.00 0.00 S ATOM 818 CE MET A 54 9.801 0.017 15.805 1.00 0.00 C ATOM 0 H MET A 54 4.408 -0.969 16.549 1.00 0.00 H new ATOM 0 HA MET A 54 4.975 -0.818 13.672 1.00 0.00 H new ATOM 0 HB2 MET A 54 6.160 -2.273 16.047 1.00 0.00 H new ATOM 0 HB3 MET A 54 6.508 -2.813 14.416 1.00 0.00 H new ATOM 0 HG2 MET A 54 7.428 -0.579 13.863 1.00 0.00 H new ATOM 0 HG3 MET A 54 7.059 -0.018 15.482 1.00 0.00 H new ATOM 0 HE1 MET A 54 10.804 -0.205 16.169 1.00 0.00 H new ATOM 0 HE2 MET A 54 9.869 0.600 14.887 1.00 0.00 H new ATOM 0 HE3 MET A 54 9.260 0.589 16.559 1.00 0.00 H new ATOM 828 N ILE A 55 3.871 -2.917 12.880 1.00 0.00 N ATOM 829 CA ILE A 55 3.056 -4.029 12.387 1.00 0.00 C ATOM 830 C ILE A 55 3.648 -4.643 11.115 1.00 0.00 C ATOM 831 O ILE A 55 4.210 -3.934 10.277 1.00 0.00 O ATOM 832 CB ILE A 55 1.607 -3.581 12.088 1.00 0.00 C ATOM 833 CG1 ILE A 55 1.594 -2.372 11.142 1.00 0.00 C ATOM 834 CG2 ILE A 55 0.869 -3.256 13.380 1.00 0.00 C ATOM 835 CD1 ILE A 55 1.440 -2.746 9.682 1.00 0.00 C ATOM 0 H ILE A 55 4.345 -2.388 12.148 1.00 0.00 H new ATOM 0 HA ILE A 55 3.049 -4.777 13.180 1.00 0.00 H new ATOM 0 HB ILE A 55 1.092 -4.405 11.595 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.778 -1.708 11.426 1.00 0.00 H new ATOM 0 HG13 ILE A 55 2.520 -1.812 11.269 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.149 -2.943 13.149 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.841 -4.141 14.015 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.387 -2.451 13.902 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.439 -1.842 9.073 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.270 -3.386 9.381 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.500 -3.280 9.540 1.00 0.00 H new ATOM 847 N ASP A 56 3.505 -5.962 10.971 1.00 0.00 N ATOM 848 CA ASP A 56 4.014 -6.670 9.795 1.00 0.00 C ATOM 849 C ASP A 56 2.932 -6.783 8.723 1.00 0.00 C ATOM 850 O ASP A 56 2.008 -7.590 8.845 1.00 0.00 O ATOM 851 CB ASP A 56 4.504 -8.072 10.171 1.00 0.00 C ATOM 852 CG ASP A 56 5.423 -8.070 11.375 1.00 0.00 C ATOM 853 OD1 ASP A 56 4.907 -8.051 12.512 1.00 0.00 O ATOM 854 OD2 ASP A 56 6.657 -8.090 11.182 1.00 0.00 O ATOM 0 H ASP A 56 3.041 -6.561 11.654 1.00 0.00 H new ATOM 0 HA ASP A 56 4.852 -6.095 9.400 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.644 -8.709 10.377 1.00 0.00 H new ATOM 0 HB3 ASP A 56 5.028 -8.509 9.321 1.00 0.00 H new ATOM 859 N VAL A 57 3.050 -5.977 7.671 1.00 0.00 N ATOM 860 CA VAL A 57 2.079 -5.999 6.579 1.00 0.00 C ATOM 861 C VAL A 57 2.680 -6.622 5.318 1.00 0.00 C ATOM 862 O VAL A 57 3.595 -6.065 4.708 1.00 0.00 O ATOM 863 CB VAL A 57 1.537 -4.583 6.264 1.00 0.00 C ATOM 864 CG1 VAL A 57 2.647 -3.654 5.787 1.00 0.00 C ATOM 865 CG2 VAL A 57 0.412 -4.659 5.238 1.00 0.00 C ATOM 0 H VAL A 57 3.806 -5.302 7.551 1.00 0.00 H new ATOM 0 HA VAL A 57 1.244 -6.616 6.910 1.00 0.00 H new ATOM 0 HB VAL A 57 1.136 -4.165 7.187 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.231 -2.669 5.575 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.408 -3.567 6.563 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.097 -4.060 4.881 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.043 -3.655 5.028 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.788 -5.107 4.318 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.400 -5.269 5.633 1.00 0.00 H new ATOM 875 N VAL A 58 2.161 -7.788 4.938 1.00 0.00 N ATOM 876 CA VAL A 58 2.645 -8.496 3.754 1.00 0.00 C ATOM 877 C VAL A 58 1.983 -7.966 2.481 1.00 0.00 C ATOM 878 O VAL A 58 0.846 -7.492 2.513 1.00 0.00 O ATOM 879 CB VAL A 58 2.406 -10.019 3.871 1.00 0.00 C ATOM 880 CG1 VAL A 58 0.919 -10.337 3.941 1.00 0.00 C ATOM 881 CG2 VAL A 58 3.064 -10.759 2.715 1.00 0.00 C ATOM 0 H VAL A 58 1.406 -8.263 5.432 1.00 0.00 H new ATOM 0 HA VAL A 58 3.718 -8.316 3.692 1.00 0.00 H new ATOM 0 HB VAL A 58 2.865 -10.360 4.799 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.781 -11.415 4.023 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.483 -9.848 4.812 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.427 -9.976 3.038 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.883 -11.829 2.818 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.643 -10.409 1.772 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.137 -10.570 2.726 1.00 0.00 H new ATOM 891 N PHE A 59 2.707 -8.047 1.366 1.00 0.00 N ATOM 892 CA PHE A 59 2.202 -7.576 0.078 1.00 0.00 C ATOM 893 C PHE A 59 2.136 -8.715 -0.941 1.00 0.00 C ATOM 894 O PHE A 59 2.526 -9.847 -0.647 1.00 0.00 O ATOM 895 CB PHE A 59 3.091 -6.447 -0.457 1.00 0.00 C ATOM 896 CG PHE A 59 4.528 -6.850 -0.657 1.00 0.00 C ATOM 897 CD1 PHE A 59 4.935 -7.462 -1.833 1.00 0.00 C ATOM 898 CD2 PHE A 59 5.471 -6.617 0.332 1.00 0.00 C ATOM 899 CE1 PHE A 59 6.254 -7.832 -2.018 1.00 0.00 C ATOM 900 CE2 PHE A 59 6.791 -6.985 0.152 1.00 0.00 C ATOM 901 CZ PHE A 59 7.183 -7.594 -1.024 1.00 0.00 C ATOM 0 H PHE A 59 3.649 -8.436 1.329 1.00 0.00 H new ATOM 0 HA PHE A 59 1.191 -7.197 0.231 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.686 -6.097 -1.406 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.052 -5.607 0.236 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.213 -7.652 -2.613 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.171 -6.142 1.254 1.00 0.00 H new ATOM 0 HE1 PHE A 59 6.558 -8.307 -2.939 1.00 0.00 H new ATOM 0 HE2 PHE A 59 7.515 -6.796 0.930 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.214 -7.883 -1.166 1.00 0.00 H new ATOM 911 N ASP A 60 1.645 -8.402 -2.141 1.00 0.00 N ATOM 912 CA ASP A 60 1.528 -9.389 -3.212 1.00 0.00 C ATOM 913 C ASP A 60 2.306 -8.951 -4.451 1.00 0.00 C ATOM 914 O ASP A 60 2.811 -7.829 -4.514 1.00 0.00 O ATOM 915 CB ASP A 60 0.057 -9.605 -3.577 1.00 0.00 C ATOM 916 CG ASP A 60 -0.598 -10.691 -2.746 1.00 0.00 C ATOM 917 OD1 ASP A 60 -0.041 -11.808 -2.678 1.00 0.00 O ATOM 918 OD2 ASP A 60 -1.671 -10.426 -2.164 1.00 0.00 O ATOM 0 H ASP A 60 1.321 -7.469 -2.395 1.00 0.00 H new ATOM 0 HA ASP A 60 1.952 -10.326 -2.851 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.488 -8.671 -3.441 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.017 -9.867 -4.633 1.00 0.00 H new ATOM 923 N LYS A 61 2.391 -9.844 -5.437 1.00 0.00 N ATOM 924 CA LYS A 61 3.100 -9.553 -6.683 1.00 0.00 C ATOM 925 C LYS A 61 2.114 -9.303 -7.822 1.00 0.00 C ATOM 926 O LYS A 61 2.260 -8.340 -8.578 1.00 0.00 O ATOM 927 CB LYS A 61 4.041 -10.705 -7.046 1.00 0.00 C ATOM 928 CG LYS A 61 5.164 -10.917 -6.042 1.00 0.00 C ATOM 929 CD LYS A 61 6.435 -10.193 -6.462 1.00 0.00 C ATOM 930 CE LYS A 61 7.639 -10.673 -5.666 1.00 0.00 C ATOM 931 NZ LYS A 61 8.872 -10.734 -6.500 1.00 0.00 N ATOM 0 H LYS A 61 1.977 -10.776 -5.397 1.00 0.00 H new ATOM 0 HA LYS A 61 3.691 -8.650 -6.533 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.461 -11.624 -7.128 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.475 -10.513 -8.027 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.848 -10.560 -5.062 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.368 -11.983 -5.943 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.613 -10.355 -7.525 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.308 -9.120 -6.320 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.805 -10.004 -4.822 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.431 -11.660 -5.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.668 -11.066 -5.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.723 -11.392 -7.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.086 -9.787 -6.873 1.00 0.00 H new ATOM 945 N GLU A 62 1.108 -10.173 -7.939 1.00 0.00 N ATOM 946 CA GLU A 62 0.095 -10.039 -8.987 1.00 0.00 C ATOM 947 C GLU A 62 -0.750 -8.784 -8.771 1.00 0.00 C ATOM 948 O GLU A 62 -1.072 -8.079 -9.725 1.00 0.00 O ATOM 949 CB GLU A 62 -0.809 -11.277 -9.042 1.00 0.00 C ATOM 950 CG GLU A 62 -1.580 -11.546 -7.756 1.00 0.00 C ATOM 951 CD GLU A 62 -2.429 -12.801 -7.836 1.00 0.00 C ATOM 952 OE1 GLU A 62 -1.850 -13.905 -7.924 1.00 0.00 O ATOM 953 OE2 GLU A 62 -3.672 -12.681 -7.811 1.00 0.00 O ATOM 0 H GLU A 62 0.974 -10.975 -7.323 1.00 0.00 H new ATOM 0 HA GLU A 62 0.617 -9.949 -9.940 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.520 -11.158 -9.860 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.198 -12.149 -9.275 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.877 -11.640 -6.928 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.220 -10.692 -7.535 1.00 0.00 H new ATOM 960 N ASP A 63 -1.102 -8.511 -7.513 1.00 0.00 N ATOM 961 CA ASP A 63 -1.908 -7.338 -7.178 1.00 0.00 C ATOM 962 C ASP A 63 -1.229 -6.050 -7.642 1.00 0.00 C ATOM 963 O ASP A 63 -1.895 -5.122 -8.097 1.00 0.00 O ATOM 964 CB ASP A 63 -2.169 -7.273 -5.670 1.00 0.00 C ATOM 965 CG ASP A 63 -3.204 -6.224 -5.306 1.00 0.00 C ATOM 966 OD1 ASP A 63 -4.384 -6.396 -5.682 1.00 0.00 O ATOM 967 OD2 ASP A 63 -2.835 -5.231 -4.646 1.00 0.00 O ATOM 0 H ASP A 63 -0.842 -9.086 -6.712 1.00 0.00 H new ATOM 0 HA ASP A 63 -2.860 -7.434 -7.699 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.506 -8.249 -5.320 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.236 -7.054 -5.152 1.00 0.00 H new ATOM 972 N LEU A 64 0.099 -5.998 -7.526 1.00 0.00 N ATOM 973 CA LEU A 64 0.856 -4.817 -7.940 1.00 0.00 C ATOM 974 C LEU A 64 0.661 -4.535 -9.431 1.00 0.00 C ATOM 975 O LEU A 64 0.511 -3.382 -9.835 1.00 0.00 O ATOM 976 CB LEU A 64 2.345 -4.995 -7.628 1.00 0.00 C ATOM 977 CG LEU A 64 2.860 -4.165 -6.450 1.00 0.00 C ATOM 978 CD1 LEU A 64 2.690 -4.926 -5.143 1.00 0.00 C ATOM 979 CD2 LEU A 64 4.318 -3.782 -6.665 1.00 0.00 C ATOM 0 H LEU A 64 0.669 -6.756 -7.151 1.00 0.00 H new ATOM 0 HA LEU A 64 0.478 -3.964 -7.377 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.535 -6.048 -7.422 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.921 -4.735 -8.516 1.00 0.00 H new ATOM 0 HG LEU A 64 2.271 -3.250 -6.390 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.062 -4.319 -4.318 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.634 -5.146 -4.985 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.252 -5.859 -5.189 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.668 -3.192 -5.818 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.922 -4.685 -6.753 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.409 -3.194 -7.579 1.00 0.00 H new ATOM 991 N ALA A 65 0.658 -5.594 -10.241 1.00 0.00 N ATOM 992 CA ALA A 65 0.474 -5.456 -11.683 1.00 0.00 C ATOM 993 C ALA A 65 -1.008 -5.343 -12.038 1.00 0.00 C ATOM 994 O ALA A 65 -1.394 -4.519 -12.869 1.00 0.00 O ATOM 995 CB ALA A 65 1.111 -6.629 -12.416 1.00 0.00 C ATOM 0 H ALA A 65 0.781 -6.555 -9.922 1.00 0.00 H new ATOM 0 HA ALA A 65 0.968 -4.538 -12.001 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.964 -6.510 -13.490 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.178 -6.659 -12.197 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.647 -7.559 -12.087 1.00 0.00 H new ATOM 1001 N GLU A 66 -1.833 -6.173 -11.400 1.00 0.00 N ATOM 1002 CA GLU A 66 -3.274 -6.166 -11.644 1.00 0.00 C ATOM 1003 C GLU A 66 -3.875 -4.808 -11.284 1.00 0.00 C ATOM 1004 O GLU A 66 -4.594 -4.207 -12.083 1.00 0.00 O ATOM 1005 CB GLU A 66 -3.961 -7.274 -10.836 1.00 0.00 C ATOM 1006 CG GLU A 66 -5.103 -7.951 -11.578 1.00 0.00 C ATOM 1007 CD GLU A 66 -5.256 -9.414 -11.209 1.00 0.00 C ATOM 1008 OE1 GLU A 66 -4.410 -10.227 -11.639 1.00 0.00 O ATOM 1009 OE2 GLU A 66 -6.223 -9.747 -10.492 1.00 0.00 O ATOM 0 H GLU A 66 -1.527 -6.859 -10.710 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.439 -6.350 -12.705 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.220 -8.026 -10.563 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.343 -6.851 -9.907 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.033 -7.427 -11.360 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.933 -7.867 -12.651 1.00 0.00 H new ATOM 1016 N TYR A 67 -3.566 -4.329 -10.080 1.00 0.00 N ATOM 1017 CA TYR A 67 -4.067 -3.038 -9.612 1.00 0.00 C ATOM 1018 C TYR A 67 -3.547 -1.891 -10.481 1.00 0.00 C ATOM 1019 O TYR A 67 -4.234 -0.887 -10.661 1.00 0.00 O ATOM 1020 CB TYR A 67 -3.667 -2.811 -8.151 1.00 0.00 C ATOM 1021 CG TYR A 67 -4.345 -1.619 -7.510 1.00 0.00 C ATOM 1022 CD1 TYR A 67 -5.651 -1.706 -7.045 1.00 0.00 C ATOM 1023 CD2 TYR A 67 -3.677 -0.408 -7.370 1.00 0.00 C ATOM 1024 CE1 TYR A 67 -6.272 -0.620 -6.458 1.00 0.00 C ATOM 1025 CE2 TYR A 67 -4.292 0.682 -6.784 1.00 0.00 C ATOM 1026 CZ TYR A 67 -5.589 0.571 -6.330 1.00 0.00 C ATOM 1027 OH TYR A 67 -6.202 1.654 -5.743 1.00 0.00 O ATOM 0 H TYR A 67 -2.970 -4.816 -9.410 1.00 0.00 H new ATOM 0 HA TYR A 67 -5.154 -3.055 -9.688 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -3.905 -3.706 -7.576 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.587 -2.675 -8.097 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -6.190 -2.637 -7.144 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.661 -0.318 -7.725 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -7.288 -0.704 -6.101 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.759 1.616 -6.682 1.00 0.00 H new ATOM 0 HH TYR A 67 -5.528 2.211 -5.300 1.00 0.00 H new ATOM 1037 N TYR A 68 -2.335 -2.045 -11.019 1.00 0.00 N ATOM 1038 CA TYR A 68 -1.742 -1.013 -11.867 1.00 0.00 C ATOM 1039 C TYR A 68 -2.588 -0.785 -13.118 1.00 0.00 C ATOM 1040 O TYR A 68 -3.072 0.323 -13.353 1.00 0.00 O ATOM 1041 CB TYR A 68 -0.309 -1.389 -12.267 1.00 0.00 C ATOM 1042 CG TYR A 68 0.541 -0.198 -12.661 1.00 0.00 C ATOM 1043 CD1 TYR A 68 0.195 0.604 -13.744 1.00 0.00 C ATOM 1044 CD2 TYR A 68 1.686 0.129 -11.945 1.00 0.00 C ATOM 1045 CE1 TYR A 68 0.965 1.695 -14.100 1.00 0.00 C ATOM 1046 CE2 TYR A 68 2.460 1.220 -12.294 1.00 0.00 C ATOM 1047 CZ TYR A 68 2.096 1.999 -13.372 1.00 0.00 C ATOM 1048 OH TYR A 68 2.863 3.089 -13.723 1.00 0.00 O ATOM 0 H TYR A 68 -1.750 -2.869 -10.883 1.00 0.00 H new ATOM 0 HA TYR A 68 -1.712 -0.088 -11.291 1.00 0.00 H new ATOM 0 HB2 TYR A 68 0.168 -1.906 -11.435 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -0.345 -2.091 -13.100 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -0.691 0.370 -14.316 1.00 0.00 H new ATOM 0 HD2 TYR A 68 1.976 -0.480 -11.101 1.00 0.00 H new ATOM 0 HE1 TYR A 68 0.682 2.306 -14.944 1.00 0.00 H new ATOM 0 HE2 TYR A 68 3.346 1.461 -11.725 1.00 0.00 H new ATOM 0 HH TYR A 68 3.623 3.165 -13.109 1.00 0.00 H new ATOM 1058 N GLU A 69 -2.762 -1.838 -13.916 1.00 0.00 N ATOM 1059 CA GLU A 69 -3.551 -1.748 -15.144 1.00 0.00 C ATOM 1060 C GLU A 69 -5.014 -1.421 -14.844 1.00 0.00 C ATOM 1061 O GLU A 69 -5.664 -0.705 -15.607 1.00 0.00 O ATOM 1062 CB GLU A 69 -3.462 -3.055 -15.936 1.00 0.00 C ATOM 1063 CG GLU A 69 -3.446 -2.851 -17.443 1.00 0.00 C ATOM 1064 CD GLU A 69 -2.059 -2.543 -17.975 1.00 0.00 C ATOM 1065 OE1 GLU A 69 -1.269 -3.493 -18.157 1.00 0.00 O ATOM 1066 OE2 GLU A 69 -1.764 -1.352 -18.209 1.00 0.00 O ATOM 0 H GLU A 69 -2.368 -2.761 -13.735 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.136 -0.938 -15.743 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.559 -3.589 -15.640 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.308 -3.689 -15.672 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.828 -3.748 -17.931 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.120 -2.035 -17.703 1.00 0.00 H new ATOM 1073 N GLU A 70 -5.527 -1.950 -13.733 1.00 0.00 N ATOM 1074 CA GLU A 70 -6.915 -1.712 -13.340 1.00 0.00 C ATOM 1075 C GLU A 70 -7.119 -0.275 -12.857 1.00 0.00 C ATOM 1076 O GLU A 70 -8.164 0.326 -13.108 1.00 0.00 O ATOM 1077 CB GLU A 70 -7.336 -2.696 -12.247 1.00 0.00 C ATOM 1078 CG GLU A 70 -7.694 -4.077 -12.776 1.00 0.00 C ATOM 1079 CD GLU A 70 -8.447 -4.915 -11.760 1.00 0.00 C ATOM 1080 OE1 GLU A 70 -9.638 -4.623 -11.516 1.00 0.00 O ATOM 1081 OE2 GLU A 70 -7.848 -5.862 -11.210 1.00 0.00 O ATOM 0 H GLU A 70 -5.003 -2.545 -13.091 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.540 -1.866 -14.220 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.526 -2.792 -11.524 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.193 -2.287 -11.712 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -8.301 -3.971 -13.675 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.782 -4.598 -13.067 1.00 0.00 H new ATOM 1088 N ALA A 71 -6.121 0.272 -12.165 1.00 0.00 N ATOM 1089 CA ALA A 71 -6.203 1.638 -11.653 1.00 0.00 C ATOM 1090 C ALA A 71 -5.907 2.662 -12.749 1.00 0.00 C ATOM 1091 O ALA A 71 -6.568 3.698 -12.834 1.00 0.00 O ATOM 1092 CB ALA A 71 -5.253 1.823 -10.478 1.00 0.00 C ATOM 0 H ALA A 71 -5.248 -0.209 -11.947 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.223 1.806 -11.308 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.326 2.846 -10.108 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.521 1.129 -9.681 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.231 1.627 -10.802 1.00 0.00 H new ATOM 1098 N GLY A 72 -4.911 2.366 -13.588 1.00 0.00 N ATOM 1099 CA GLY A 72 -4.549 3.269 -14.668 1.00 0.00 C ATOM 1100 C GLY A 72 -3.983 4.585 -14.167 1.00 0.00 C ATOM 1101 O GLY A 72 -4.559 5.647 -14.410 1.00 0.00 O ATOM 0 H GLY A 72 -4.350 1.516 -13.537 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.815 2.784 -15.311 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.428 3.466 -15.281 1.00 0.00 H new ATOM 1105 N ILE A 73 -2.852 4.514 -13.464 1.00 0.00 N ATOM 1106 CA ILE A 73 -2.205 5.711 -12.925 1.00 0.00 C ATOM 1107 C ILE A 73 -1.861 6.711 -14.032 1.00 0.00 C ATOM 1108 O ILE A 73 -1.938 7.923 -13.827 1.00 0.00 O ATOM 1109 CB ILE A 73 -0.926 5.356 -12.127 1.00 0.00 C ATOM 1110 CG1 ILE A 73 -0.355 6.601 -11.438 1.00 0.00 C ATOM 1111 CG2 ILE A 73 0.119 4.722 -13.036 1.00 0.00 C ATOM 1112 CD1 ILE A 73 -1.317 7.259 -10.470 1.00 0.00 C ATOM 0 H ILE A 73 -2.366 3.642 -13.255 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.921 6.175 -12.247 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.196 4.631 -11.359 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.553 6.324 -10.902 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.067 7.326 -12.199 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.009 4.481 -12.455 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.286 3.810 -13.475 1.00 0.00 H new ATOM 0 HG23 ILE A 73 0.383 5.421 -13.830 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.842 8.132 -10.022 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.216 7.568 -11.004 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.586 6.551 -9.687 1.00 0.00 H new ATOM 1124 N HIS A 74 -1.490 6.196 -15.205 1.00 0.00 N ATOM 1125 CA HIS A 74 -1.145 7.044 -16.342 1.00 0.00 C ATOM 1126 C HIS A 74 -2.330 7.173 -17.299 1.00 0.00 C ATOM 1127 O HIS A 74 -3.143 6.253 -17.418 1.00 0.00 O ATOM 1128 CB HIS A 74 0.067 6.477 -17.087 1.00 0.00 C ATOM 1129 CG HIS A 74 1.380 6.975 -16.563 1.00 0.00 C ATOM 1130 ND1 HIS A 74 2.201 6.223 -15.747 1.00 0.00 N ATOM 1131 CD2 HIS A 74 2.016 8.157 -16.746 1.00 0.00 C ATOM 1132 CE1 HIS A 74 3.282 6.923 -15.450 1.00 0.00 C ATOM 1133 NE2 HIS A 74 3.194 8.099 -16.042 1.00 0.00 N ATOM 0 H HIS A 74 -1.421 5.195 -15.391 1.00 0.00 H new ATOM 0 HA HIS A 74 -0.894 8.034 -15.961 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.048 5.389 -17.020 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -0.014 6.733 -18.143 1.00 0.00 H new ATOM 0 HD2 HIS A 74 1.663 8.990 -17.336 1.00 0.00 H new ATOM 0 HE1 HIS A 74 4.099 6.589 -14.828 1.00 0.00 H new ATOM 0 HE2 HIS A 74 3.888 8.844 -15.986 1.00 0.00 H new ATOM 1142 N PRO A 75 -2.444 8.323 -17.997 1.00 0.00 N ATOM 1143 CA PRO A 75 -3.537 8.574 -18.950 1.00 0.00 C ATOM 1144 C PRO A 75 -3.662 7.476 -20.005 1.00 0.00 C ATOM 1145 O PRO A 75 -2.679 6.813 -20.342 1.00 0.00 O ATOM 1146 CB PRO A 75 -3.141 9.898 -19.611 1.00 0.00 C ATOM 1147 CG PRO A 75 -2.259 10.570 -18.618 1.00 0.00 C ATOM 1148 CD PRO A 75 -1.519 9.470 -17.910 1.00 0.00 C ATOM 0 HA PRO A 75 -4.505 8.600 -18.450 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -2.619 9.729 -20.553 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.018 10.505 -19.836 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -1.566 11.252 -19.110 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.844 11.162 -17.914 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -0.565 9.254 -18.391 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -1.302 9.733 -16.875 1.00 0.00 H new ATOM 1156 N PRO A 76 -4.879 7.273 -20.547 1.00 0.00 N ATOM 1157 CA PRO A 76 -5.126 6.252 -21.573 1.00 0.00 C ATOM 1158 C PRO A 76 -4.424 6.568 -22.894 1.00 0.00 C ATOM 1159 O PRO A 76 -4.022 5.658 -23.621 1.00 0.00 O ATOM 1160 CB PRO A 76 -6.646 6.279 -21.752 1.00 0.00 C ATOM 1161 CG PRO A 76 -7.060 7.637 -21.305 1.00 0.00 C ATOM 1162 CD PRO A 76 -6.104 8.023 -20.210 1.00 0.00 C ATOM 0 HA PRO A 76 -4.739 5.278 -21.274 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -6.925 6.103 -22.791 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -7.128 5.503 -21.157 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -7.017 8.349 -22.129 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -8.088 7.632 -20.942 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -5.925 9.098 -20.193 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -6.486 7.748 -19.227 1.00 0.00 H new ATOM 1170 N GLU A 77 -4.278 7.860 -23.198 1.00 0.00 N ATOM 1171 CA GLU A 77 -3.626 8.288 -24.429 1.00 0.00 C ATOM 1172 C GLU A 77 -2.766 9.528 -24.191 1.00 0.00 C ATOM 1173 O GLU A 77 -3.230 10.656 -24.366 1.00 0.00 O ATOM 1174 CB GLU A 77 -4.671 8.574 -25.512 1.00 0.00 C ATOM 1175 CG GLU A 77 -4.137 8.420 -26.929 1.00 0.00 C ATOM 1176 CD GLU A 77 -4.562 7.118 -27.583 1.00 0.00 C ATOM 1177 OE1 GLU A 77 -4.533 6.070 -26.902 1.00 0.00 O ATOM 1178 OE2 GLU A 77 -4.923 7.146 -28.778 1.00 0.00 O ATOM 0 H GLU A 77 -4.604 8.624 -22.606 1.00 0.00 H new ATOM 0 HA GLU A 77 -2.976 7.480 -24.766 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.517 7.900 -25.376 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.048 9.589 -25.383 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.485 9.256 -27.536 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -3.048 8.472 -26.909 1.00 0.00 H new ATOM 1185 N PRO A 78 -1.496 9.337 -23.784 1.00 0.00 N ATOM 1186 CA PRO A 78 -0.574 10.449 -23.523 1.00 0.00 C ATOM 1187 C PRO A 78 -0.155 11.171 -24.806 1.00 0.00 C ATOM 1188 O PRO A 78 -0.605 10.823 -25.899 1.00 0.00 O ATOM 1189 CB PRO A 78 0.631 9.767 -22.870 1.00 0.00 C ATOM 1190 CG PRO A 78 0.595 8.369 -23.380 1.00 0.00 C ATOM 1191 CD PRO A 78 -0.861 8.026 -23.543 1.00 0.00 C ATOM 0 HA PRO A 78 -1.030 11.220 -22.902 1.00 0.00 H new ATOM 0 HB2 PRO A 78 1.562 10.264 -23.141 1.00 0.00 H new ATOM 0 HB3 PRO A 78 0.560 9.794 -21.783 1.00 0.00 H new ATOM 0 HG2 PRO A 78 1.124 8.286 -24.329 1.00 0.00 H new ATOM 0 HG3 PRO A 78 1.081 7.686 -22.683 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -1.022 7.342 -24.376 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -1.262 7.543 -22.652 1.00 0.00 H new ATOM 1199 N ILE A 79 0.709 12.181 -24.661 1.00 0.00 N ATOM 1200 CA ILE A 79 1.193 12.965 -25.801 1.00 0.00 C ATOM 1201 C ILE A 79 0.064 13.807 -26.393 1.00 0.00 C ATOM 1202 O ILE A 79 -0.798 13.294 -27.108 1.00 0.00 O ATOM 1203 CB ILE A 79 1.803 12.069 -26.907 1.00 0.00 C ATOM 1204 CG1 ILE A 79 2.805 11.077 -26.307 1.00 0.00 C ATOM 1205 CG2 ILE A 79 2.474 12.924 -27.975 1.00 0.00 C ATOM 1206 CD1 ILE A 79 3.285 10.026 -27.286 1.00 0.00 C ATOM 0 H ILE A 79 1.089 12.475 -23.761 1.00 0.00 H new ATOM 0 HA ILE A 79 1.979 13.619 -25.424 1.00 0.00 H new ATOM 0 HB ILE A 79 0.997 11.502 -27.373 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.666 11.628 -25.929 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.344 10.581 -25.453 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.897 12.279 -28.745 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.737 13.589 -28.425 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.268 13.516 -27.521 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.991 9.361 -26.789 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.434 9.448 -27.646 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.776 10.512 -28.129 1.00 0.00 H new ATOM 1218 N ALA A 80 0.070 15.104 -26.073 1.00 0.00 N ATOM 1219 CA ALA A 80 -0.958 16.029 -26.552 1.00 0.00 C ATOM 1220 C ALA A 80 -2.349 15.599 -26.079 1.00 0.00 C ATOM 1221 O ALA A 80 -3.334 15.726 -26.811 1.00 0.00 O ATOM 1222 CB ALA A 80 -0.915 16.133 -28.072 1.00 0.00 C ATOM 0 H ALA A 80 0.779 15.538 -25.482 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.751 17.013 -26.131 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -1.686 16.825 -28.411 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.063 16.498 -28.384 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -1.092 15.150 -28.509 1.00 0.00 H new ATOM 1228 N ALA A 81 -2.423 15.091 -24.848 1.00 0.00 N ATOM 1229 CA ALA A 81 -3.686 14.642 -24.275 1.00 0.00 C ATOM 1230 C ALA A 81 -4.321 15.734 -23.417 1.00 0.00 C ATOM 1231 O ALA A 81 -3.659 16.327 -22.563 1.00 0.00 O ATOM 1232 CB ALA A 81 -3.472 13.378 -23.454 1.00 0.00 C ATOM 0 H ALA A 81 -1.619 14.981 -24.230 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.370 14.419 -25.094 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.423 13.053 -23.032 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.072 12.592 -24.094 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.768 13.583 -22.648 1.00 0.00 H new ATOM 1238 N ALA A 82 -5.608 15.991 -23.649 1.00 0.00 N ATOM 1239 CA ALA A 82 -6.337 17.010 -22.897 1.00 0.00 C ATOM 1240 C ALA A 82 -6.776 16.479 -21.534 1.00 0.00 C ATOM 1241 O ALA A 82 -6.766 15.269 -21.296 1.00 0.00 O ATOM 1242 CB ALA A 82 -7.545 17.497 -23.690 1.00 0.00 C ATOM 0 H ALA A 82 -6.167 15.507 -24.352 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.664 17.851 -22.732 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -8.076 18.255 -23.115 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -7.211 17.926 -24.635 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -8.212 16.658 -23.888 1.00 0.00 H new ATOM 1248 N ALA A 83 -7.162 17.391 -20.644 1.00 0.00 N ATOM 1249 CA ALA A 83 -7.607 17.018 -19.304 1.00 0.00 C ATOM 1250 C ALA A 83 -8.760 17.905 -18.842 1.00 0.00 C ATOM 1251 O ALA A 83 -9.183 17.842 -17.687 1.00 0.00 O ATOM 1252 CB ALA A 83 -6.447 17.097 -18.320 1.00 0.00 C ATOM 0 H ALA A 83 -7.175 18.394 -20.827 1.00 0.00 H new ATOM 0 HA ALA A 83 -7.967 15.990 -19.340 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.794 16.816 -17.325 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.656 16.416 -18.634 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.060 18.116 -18.295 1.00 0.00 H new TER 1258 ALA A 83 HETATM 1259 ZN ZN A 84 -2.050 3.929 14.650 1.00 0.00 ZN