USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 604 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.164 X(o=-0.16,f=-0.4) USER MOD Single : A 17 MET CE :methyl 160:sc= -0.891 (180deg=-1.53) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -138:sc= 0.116 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -0.585 X(o=-0.58,f=-0.12) USER MOD Single : A 47 MET CE :methyl 160:sc= -3.79! (180deg=-6.11!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.024 K(o=-0.024,f=-1.1!) USER MOD Single : A 54 SER OG : rot 43:sc= 0.0749 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= 0.0385 X(o=0.038,f=-0.27) USER MOD Single : A 64 THR OG1 : rot -16:sc= 0.433 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN : amide:sc= -0.0718 K(o=-0.072,f=-1.8!) USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.0948 USER MOD Single : A 84 SER OG : rot 180:sc= 0.00722 USER MOD Single : A 87 SER OG : rot 30:sc= 0.229 USER MOD Single : A 88 SER OG : rot 34:sc= 0.209 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -40.710 -4.079 4.443 1.00 0.00 N ATOM 2 CA GLY A 1 -41.572 -5.132 3.940 1.00 0.00 C ATOM 3 C GLY A 1 -40.908 -5.956 2.855 1.00 0.00 C ATOM 4 O GLY A 1 -40.629 -7.140 3.047 1.00 0.00 O ATOM 0 H1 GLY A 1 -41.210 -3.545 5.182 1.00 0.00 H new ATOM 0 H2 GLY A 1 -39.846 -4.499 4.843 1.00 0.00 H new ATOM 0 H3 GLY A 1 -40.455 -3.438 3.665 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -41.860 -5.786 4.763 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -42.488 -4.691 3.548 1.00 0.00 H new ATOM 8 N SER A 2 -40.655 -5.330 1.710 1.00 0.00 N ATOM 9 CA SER A 2 -40.024 -6.014 0.588 1.00 0.00 C ATOM 10 C SER A 2 -38.532 -5.704 0.531 1.00 0.00 C ATOM 11 O SER A 2 -37.696 -6.603 0.615 1.00 0.00 O ATOM 12 CB SER A 2 -40.692 -5.605 -0.727 1.00 0.00 C ATOM 13 OG SER A 2 -41.989 -6.168 -0.837 1.00 0.00 O ATOM 0 H SER A 2 -40.878 -4.350 1.535 1.00 0.00 H new ATOM 0 HA SER A 2 -40.149 -7.087 0.733 1.00 0.00 H new ATOM 0 HB2 SER A 2 -40.758 -4.518 -0.783 1.00 0.00 H new ATOM 0 HB3 SER A 2 -40.078 -5.931 -1.567 1.00 0.00 H new ATOM 0 HG SER A 2 -42.395 -5.891 -1.685 1.00 0.00 H new ATOM 19 N SER A 3 -38.206 -4.423 0.387 1.00 0.00 N ATOM 20 CA SER A 3 -36.814 -3.993 0.314 1.00 0.00 C ATOM 21 C SER A 3 -36.612 -2.681 1.067 1.00 0.00 C ATOM 22 O SER A 3 -37.563 -2.094 1.581 1.00 0.00 O ATOM 23 CB SER A 3 -36.384 -3.828 -1.144 1.00 0.00 C ATOM 24 OG SER A 3 -36.162 -5.088 -1.756 1.00 0.00 O ATOM 0 H SER A 3 -38.886 -3.666 0.319 1.00 0.00 H new ATOM 0 HA SER A 3 -36.197 -4.760 0.782 1.00 0.00 H new ATOM 0 HB2 SER A 3 -37.152 -3.283 -1.694 1.00 0.00 H new ATOM 0 HB3 SER A 3 -35.473 -3.231 -1.193 1.00 0.00 H new ATOM 0 HG SER A 3 -35.890 -4.956 -2.688 1.00 0.00 H new ATOM 30 N GLY A 4 -35.364 -2.227 1.127 1.00 0.00 N ATOM 31 CA GLY A 4 -35.057 -0.988 1.818 1.00 0.00 C ATOM 32 C GLY A 4 -34.103 -0.108 1.034 1.00 0.00 C ATOM 33 O GLY A 4 -33.956 -0.266 -0.177 1.00 0.00 O ATOM 0 H GLY A 4 -34.560 -2.695 0.709 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -35.981 -0.441 2.004 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -34.620 -1.216 2.790 1.00 0.00 H new ATOM 37 N SER A 5 -33.456 0.823 1.728 1.00 0.00 N ATOM 38 CA SER A 5 -32.515 1.736 1.088 1.00 0.00 C ATOM 39 C SER A 5 -31.076 1.349 1.415 1.00 0.00 C ATOM 40 O SER A 5 -30.764 0.969 2.542 1.00 0.00 O ATOM 41 CB SER A 5 -32.783 3.174 1.536 1.00 0.00 C ATOM 42 OG SER A 5 -33.942 3.696 0.910 1.00 0.00 O ATOM 0 H SER A 5 -33.566 0.965 2.732 1.00 0.00 H new ATOM 0 HA SER A 5 -32.655 1.667 0.009 1.00 0.00 H new ATOM 0 HB2 SER A 5 -32.906 3.204 2.619 1.00 0.00 H new ATOM 0 HB3 SER A 5 -31.923 3.799 1.296 1.00 0.00 H new ATOM 0 HG SER A 5 -34.092 4.615 1.214 1.00 0.00 H new ATOM 48 N SER A 6 -30.202 1.449 0.417 1.00 0.00 N ATOM 49 CA SER A 6 -28.797 1.107 0.595 1.00 0.00 C ATOM 50 C SER A 6 -28.191 1.887 1.758 1.00 0.00 C ATOM 51 O SER A 6 -28.431 3.084 1.910 1.00 0.00 O ATOM 52 CB SER A 6 -28.014 1.391 -0.688 1.00 0.00 C ATOM 53 OG SER A 6 -28.236 0.381 -1.656 1.00 0.00 O ATOM 0 H SER A 6 -30.444 1.764 -0.523 1.00 0.00 H new ATOM 0 HA SER A 6 -28.734 0.043 0.822 1.00 0.00 H new ATOM 0 HB2 SER A 6 -28.312 2.358 -1.093 1.00 0.00 H new ATOM 0 HB3 SER A 6 -26.950 1.454 -0.462 1.00 0.00 H new ATOM 0 HG SER A 6 -27.726 0.587 -2.467 1.00 0.00 H new ATOM 59 N GLY A 7 -27.402 1.198 2.578 1.00 0.00 N ATOM 60 CA GLY A 7 -26.774 1.840 3.717 1.00 0.00 C ATOM 61 C GLY A 7 -26.583 0.893 4.885 1.00 0.00 C ATOM 62 O GLY A 7 -25.469 0.463 5.187 1.00 0.00 O ATOM 0 H GLY A 7 -27.187 0.206 2.473 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -25.806 2.240 3.416 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -27.384 2.686 4.035 1.00 0.00 H new ATOM 66 N PRO A 8 -27.688 0.555 5.564 1.00 0.00 N ATOM 67 CA PRO A 8 -27.663 -0.351 6.716 1.00 0.00 C ATOM 68 C PRO A 8 -27.349 -1.788 6.318 1.00 0.00 C ATOM 69 O PRO A 8 -27.362 -2.692 7.155 1.00 0.00 O ATOM 70 CB PRO A 8 -29.083 -0.250 7.279 1.00 0.00 C ATOM 71 CG PRO A 8 -29.922 0.155 6.116 1.00 0.00 C ATOM 72 CD PRO A 8 -29.048 1.028 5.258 1.00 0.00 C ATOM 0 HA PRO A 8 -26.886 -0.079 7.431 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -29.414 -1.202 7.693 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -29.139 0.484 8.083 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -30.267 -0.717 5.561 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -30.810 0.695 6.445 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -29.284 0.916 4.200 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -29.171 2.083 5.502 1.00 0.00 H new ATOM 80 N ARG A 9 -27.067 -1.994 5.036 1.00 0.00 N ATOM 81 CA ARG A 9 -26.749 -3.322 4.526 1.00 0.00 C ATOM 82 C ARG A 9 -25.371 -3.773 5.001 1.00 0.00 C ATOM 83 O ARG A 9 -24.601 -2.979 5.541 1.00 0.00 O ATOM 84 CB ARG A 9 -26.803 -3.332 2.998 1.00 0.00 C ATOM 85 CG ARG A 9 -26.941 -4.724 2.402 1.00 0.00 C ATOM 86 CD ARG A 9 -27.589 -4.679 1.027 1.00 0.00 C ATOM 87 NE ARG A 9 -29.039 -4.533 1.108 1.00 0.00 N ATOM 88 CZ ARG A 9 -29.782 -4.015 0.136 1.00 0.00 C ATOM 89 NH1 ARG A 9 -29.213 -3.598 -0.987 1.00 0.00 N ATOM 90 NH2 ARG A 9 -31.096 -3.916 0.286 1.00 0.00 N ATOM 0 H ARG A 9 -27.052 -1.257 4.331 1.00 0.00 H new ATOM 0 HA ARG A 9 -27.492 -4.019 4.913 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -27.643 -2.720 2.669 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -25.898 -2.867 2.608 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -25.958 -5.188 2.327 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -27.538 -5.348 3.067 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -27.173 -3.848 0.458 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -27.347 -5.592 0.482 1.00 0.00 H new ATOM 0 HE ARG A 9 -29.508 -4.846 1.958 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -28.203 -3.675 -1.106 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -29.786 -3.201 -1.732 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -31.537 -4.238 1.148 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -31.666 -3.518 -0.461 1.00 0.00 H new ATOM 104 N GLU A 10 -25.067 -5.050 4.794 1.00 0.00 N ATOM 105 CA GLU A 10 -23.781 -5.604 5.202 1.00 0.00 C ATOM 106 C GLU A 10 -22.977 -6.064 3.989 1.00 0.00 C ATOM 107 O GLU A 10 -23.336 -7.017 3.299 1.00 0.00 O ATOM 108 CB GLU A 10 -23.988 -6.776 6.164 1.00 0.00 C ATOM 109 CG GLU A 10 -24.767 -6.407 7.415 1.00 0.00 C ATOM 110 CD GLU A 10 -26.221 -6.086 7.124 1.00 0.00 C ATOM 111 OE1 GLU A 10 -26.836 -6.809 6.311 1.00 0.00 O ATOM 112 OE2 GLU A 10 -26.743 -5.114 7.707 1.00 0.00 O ATOM 0 H GLU A 10 -25.693 -5.720 4.347 1.00 0.00 H new ATOM 0 HA GLU A 10 -23.221 -4.819 5.711 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -24.514 -7.575 5.642 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -23.015 -7.172 6.456 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -24.716 -7.231 8.126 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -24.297 -5.546 7.890 1.00 0.00 H new ATOM 119 N PRO A 11 -21.862 -5.368 3.722 1.00 0.00 N ATOM 120 CA PRO A 11 -20.983 -5.685 2.592 1.00 0.00 C ATOM 121 C PRO A 11 -20.234 -6.998 2.791 1.00 0.00 C ATOM 122 O PRO A 11 -20.384 -7.661 3.818 1.00 0.00 O ATOM 123 CB PRO A 11 -20.003 -4.510 2.565 1.00 0.00 C ATOM 124 CG PRO A 11 -19.986 -3.997 3.962 1.00 0.00 C ATOM 125 CD PRO A 11 -21.372 -4.219 4.502 1.00 0.00 C ATOM 0 HA PRO A 11 -21.541 -5.814 1.665 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -19.010 -4.830 2.249 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -20.328 -3.740 1.865 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -19.244 -4.524 4.562 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -19.723 -2.940 3.986 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -21.357 -4.435 5.570 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -22.003 -3.341 4.363 1.00 0.00 H new ATOM 133 N VAL A 12 -19.426 -7.369 1.803 1.00 0.00 N ATOM 134 CA VAL A 12 -18.652 -8.603 1.870 1.00 0.00 C ATOM 135 C VAL A 12 -17.269 -8.352 2.463 1.00 0.00 C ATOM 136 O VAL A 12 -16.619 -7.355 2.150 1.00 0.00 O ATOM 137 CB VAL A 12 -18.494 -9.243 0.478 1.00 0.00 C ATOM 138 CG1 VAL A 12 -19.853 -9.601 -0.103 1.00 0.00 C ATOM 139 CG2 VAL A 12 -17.735 -8.310 -0.454 1.00 0.00 C ATOM 0 H VAL A 12 -19.290 -6.832 0.946 1.00 0.00 H new ATOM 0 HA VAL A 12 -19.202 -9.288 2.515 1.00 0.00 H new ATOM 0 HB VAL A 12 -17.918 -10.162 0.583 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -19.721 -10.052 -1.087 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -20.355 -10.309 0.556 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -20.458 -8.699 -0.196 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -17.632 -8.778 -1.433 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -18.282 -7.373 -0.555 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -16.746 -8.110 -0.042 1.00 0.00 H new ATOM 149 N VAL A 13 -16.825 -9.265 3.320 1.00 0.00 N ATOM 150 CA VAL A 13 -15.519 -9.146 3.957 1.00 0.00 C ATOM 151 C VAL A 13 -14.423 -8.917 2.922 1.00 0.00 C ATOM 152 O VAL A 13 -14.463 -9.475 1.826 1.00 0.00 O ATOM 153 CB VAL A 13 -15.177 -10.403 4.779 1.00 0.00 C ATOM 154 CG1 VAL A 13 -16.184 -10.594 5.904 1.00 0.00 C ATOM 155 CG2 VAL A 13 -15.127 -11.629 3.881 1.00 0.00 C ATOM 0 H VAL A 13 -17.351 -10.096 3.590 1.00 0.00 H new ATOM 0 HA VAL A 13 -15.571 -8.287 4.626 1.00 0.00 H new ATOM 0 HB VAL A 13 -14.191 -10.269 5.225 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -15.927 -11.487 6.475 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -16.164 -9.725 6.562 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -17.183 -10.708 5.483 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -14.884 -12.508 4.478 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -16.097 -11.771 3.405 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -14.364 -11.488 3.115 1.00 0.00 H new ATOM 165 N ASN A 14 -13.444 -8.091 3.278 1.00 0.00 N ATOM 166 CA ASN A 14 -12.336 -7.786 2.379 1.00 0.00 C ATOM 167 C ASN A 14 -11.016 -8.292 2.953 1.00 0.00 C ATOM 168 O ASN A 14 -10.917 -8.586 4.145 1.00 0.00 O ATOM 169 CB ASN A 14 -12.253 -6.279 2.130 1.00 0.00 C ATOM 170 CG ASN A 14 -13.275 -5.803 1.116 1.00 0.00 C ATOM 171 OD1 ASN A 14 -14.476 -6.019 1.280 1.00 0.00 O ATOM 172 ND2 ASN A 14 -12.800 -5.151 0.061 1.00 0.00 N ATOM 0 H ASN A 14 -13.395 -7.621 4.182 1.00 0.00 H new ATOM 0 HA ASN A 14 -12.519 -8.294 1.432 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -12.405 -5.749 3.071 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -11.252 -6.026 1.779 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -13.439 -4.806 -0.655 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -11.796 -4.995 -0.033 1.00 0.00 H new ATOM 179 N ASP A 15 -10.005 -8.390 2.098 1.00 0.00 N ATOM 180 CA ASP A 15 -8.690 -8.859 2.520 1.00 0.00 C ATOM 181 C ASP A 15 -7.666 -7.730 2.461 1.00 0.00 C ATOM 182 O ASP A 15 -6.835 -7.586 3.356 1.00 0.00 O ATOM 183 CB ASP A 15 -8.234 -10.024 1.640 1.00 0.00 C ATOM 184 CG ASP A 15 -9.371 -10.963 1.287 1.00 0.00 C ATOM 185 OD1 ASP A 15 -9.855 -11.675 2.191 1.00 0.00 O ATOM 186 OD2 ASP A 15 -9.777 -10.983 0.106 1.00 0.00 O ATOM 0 H ASP A 15 -10.070 -8.151 1.109 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.767 -9.202 3.552 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.793 -9.632 0.724 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.453 -10.582 2.157 1.00 0.00 H new ATOM 191 N GLU A 16 -7.732 -6.932 1.399 1.00 0.00 N ATOM 192 CA GLU A 16 -6.809 -5.817 1.223 1.00 0.00 C ATOM 193 C GLU A 16 -7.241 -4.616 2.060 1.00 0.00 C ATOM 194 O GLU A 16 -7.332 -3.497 1.556 1.00 0.00 O ATOM 195 CB GLU A 16 -6.729 -5.422 -0.253 1.00 0.00 C ATOM 196 CG GLU A 16 -5.741 -6.255 -1.053 1.00 0.00 C ATOM 197 CD GLU A 16 -5.388 -5.622 -2.386 1.00 0.00 C ATOM 198 OE1 GLU A 16 -6.272 -5.565 -3.266 1.00 0.00 O ATOM 199 OE2 GLU A 16 -4.231 -5.183 -2.546 1.00 0.00 O ATOM 0 H GLU A 16 -8.415 -7.037 0.648 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.823 -6.137 1.560 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.718 -5.518 -0.700 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.447 -4.371 -0.325 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.831 -6.393 -0.469 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.163 -7.245 -1.226 1.00 0.00 H new ATOM 206 N MET A 17 -7.506 -4.859 3.339 1.00 0.00 N ATOM 207 CA MET A 17 -7.927 -3.798 4.246 1.00 0.00 C ATOM 208 C MET A 17 -6.812 -3.445 5.226 1.00 0.00 C ATOM 209 O MET A 17 -6.269 -4.317 5.904 1.00 0.00 O ATOM 210 CB MET A 17 -9.180 -4.221 5.014 1.00 0.00 C ATOM 211 CG MET A 17 -10.354 -4.573 4.114 1.00 0.00 C ATOM 212 SD MET A 17 -10.750 -3.260 2.944 1.00 0.00 S ATOM 213 CE MET A 17 -12.421 -2.853 3.443 1.00 0.00 C ATOM 0 H MET A 17 -7.437 -5.781 3.771 1.00 0.00 H new ATOM 0 HA MET A 17 -8.156 -2.915 3.649 1.00 0.00 H new ATOM 0 HB2 MET A 17 -8.940 -5.082 5.638 1.00 0.00 H new ATOM 0 HB3 MET A 17 -9.476 -3.414 5.684 1.00 0.00 H new ATOM 0 HG2 MET A 17 -10.125 -5.486 3.565 1.00 0.00 H new ATOM 0 HG3 MET A 17 -11.229 -4.782 4.730 1.00 0.00 H new ATOM 0 HE1 MET A 17 -12.677 -1.858 3.080 1.00 0.00 H new ATOM 0 HE2 MET A 17 -13.114 -3.582 3.023 1.00 0.00 H new ATOM 0 HE3 MET A 17 -12.491 -2.871 4.531 1.00 0.00 H new ATOM 223 N CYS A 18 -6.475 -2.161 5.294 1.00 0.00 N ATOM 224 CA CYS A 18 -5.424 -1.693 6.189 1.00 0.00 C ATOM 225 C CYS A 18 -5.511 -2.391 7.543 1.00 0.00 C ATOM 226 O CYS A 18 -6.596 -2.763 7.993 1.00 0.00 O ATOM 227 CB CYS A 18 -5.522 -0.178 6.377 1.00 0.00 C ATOM 228 SG CYS A 18 -4.121 0.552 7.285 1.00 0.00 S ATOM 0 H CYS A 18 -6.915 -1.426 4.740 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.462 -1.935 5.736 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -5.592 0.295 5.397 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -6.445 0.052 6.909 1.00 0.00 H new ATOM 233 N ASP A 19 -4.364 -2.565 8.188 1.00 0.00 N ATOM 234 CA ASP A 19 -4.310 -3.216 9.492 1.00 0.00 C ATOM 235 C ASP A 19 -4.555 -2.211 10.612 1.00 0.00 C ATOM 236 O ASP A 19 -4.564 -2.568 11.791 1.00 0.00 O ATOM 237 CB ASP A 19 -2.955 -3.898 9.690 1.00 0.00 C ATOM 238 CG ASP A 19 -2.899 -4.714 10.967 1.00 0.00 C ATOM 239 OD1 ASP A 19 -3.459 -5.829 10.984 1.00 0.00 O ATOM 240 OD2 ASP A 19 -2.295 -4.235 11.950 1.00 0.00 O ATOM 0 H ASP A 19 -3.458 -2.264 7.829 1.00 0.00 H new ATOM 0 HA ASP A 19 -5.096 -3.970 9.526 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.750 -4.547 8.838 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.170 -3.142 9.711 1.00 0.00 H new ATOM 245 N VAL A 20 -4.755 -0.951 10.237 1.00 0.00 N ATOM 246 CA VAL A 20 -5.001 0.107 11.210 1.00 0.00 C ATOM 247 C VAL A 20 -6.291 0.855 10.894 1.00 0.00 C ATOM 248 O VAL A 20 -6.827 1.574 11.739 1.00 0.00 O ATOM 249 CB VAL A 20 -3.834 1.112 11.254 1.00 0.00 C ATOM 250 CG1 VAL A 20 -4.124 2.223 12.252 1.00 0.00 C ATOM 251 CG2 VAL A 20 -2.533 0.403 11.594 1.00 0.00 C ATOM 0 H VAL A 20 -4.751 -0.638 9.266 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.093 -0.374 12.184 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.727 1.562 10.267 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.289 2.923 12.270 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.032 2.749 11.958 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.259 1.794 13.245 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.720 1.128 11.621 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.624 -0.076 12.569 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.321 -0.352 10.837 1.00 0.00 H new ATOM 261 N CYS A 21 -6.786 0.680 9.674 1.00 0.00 N ATOM 262 CA CYS A 21 -8.014 1.339 9.245 1.00 0.00 C ATOM 263 C CYS A 21 -9.043 0.315 8.772 1.00 0.00 C ATOM 264 O CYS A 21 -10.248 0.539 8.878 1.00 0.00 O ATOM 265 CB CYS A 21 -7.718 2.337 8.124 1.00 0.00 C ATOM 266 SG CYS A 21 -6.450 3.574 8.546 1.00 0.00 S ATOM 0 H CYS A 21 -6.356 0.087 8.964 1.00 0.00 H new ATOM 0 HA CYS A 21 -8.427 1.876 10.099 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -7.395 1.788 7.239 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -8.640 2.854 7.859 1.00 0.00 H new ATOM 271 N GLU A 22 -8.556 -0.806 8.251 1.00 0.00 N ATOM 272 CA GLU A 22 -9.433 -1.863 7.760 1.00 0.00 C ATOM 273 C GLU A 22 -10.271 -1.373 6.584 1.00 0.00 C ATOM 274 O GLU A 22 -11.466 -1.658 6.495 1.00 0.00 O ATOM 275 CB GLU A 22 -10.351 -2.356 8.883 1.00 0.00 C ATOM 276 CG GLU A 22 -9.600 -2.839 10.112 1.00 0.00 C ATOM 277 CD GLU A 22 -10.522 -3.427 11.164 1.00 0.00 C ATOM 278 OE1 GLU A 22 -11.075 -4.521 10.923 1.00 0.00 O ATOM 279 OE2 GLU A 22 -10.690 -2.794 12.227 1.00 0.00 O ATOM 0 H GLU A 22 -7.560 -1.006 8.158 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.809 -2.689 7.420 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.024 -1.549 9.172 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.972 -3.168 8.504 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.868 -3.590 9.814 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.045 -2.007 10.545 1.00 0.00 H new ATOM 286 N VAL A 23 -9.636 -0.633 5.680 1.00 0.00 N ATOM 287 CA VAL A 23 -10.322 -0.103 4.507 1.00 0.00 C ATOM 288 C VAL A 23 -9.383 -0.032 3.307 1.00 0.00 C ATOM 289 O VAL A 23 -8.202 0.284 3.448 1.00 0.00 O ATOM 290 CB VAL A 23 -10.896 1.300 4.779 1.00 0.00 C ATOM 291 CG1 VAL A 23 -12.015 1.229 5.807 1.00 0.00 C ATOM 292 CG2 VAL A 23 -9.796 2.245 5.241 1.00 0.00 C ATOM 0 H VAL A 23 -8.648 -0.387 5.738 1.00 0.00 H new ATOM 0 HA VAL A 23 -11.142 -0.786 4.284 1.00 0.00 H new ATOM 0 HB VAL A 23 -11.312 1.690 3.850 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -12.408 2.230 5.986 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -12.813 0.587 5.433 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.627 0.819 6.739 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -10.219 3.232 5.429 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.348 1.862 6.158 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.031 2.319 4.468 1.00 0.00 H new ATOM 302 N TRP A 24 -9.916 -0.329 2.129 1.00 0.00 N ATOM 303 CA TRP A 24 -9.126 -0.299 0.903 1.00 0.00 C ATOM 304 C TRP A 24 -9.602 0.813 -0.025 1.00 0.00 C ATOM 305 O TRP A 24 -10.575 1.510 0.271 1.00 0.00 O ATOM 306 CB TRP A 24 -9.208 -1.647 0.186 1.00 0.00 C ATOM 307 CG TRP A 24 -10.376 -1.755 -0.747 1.00 0.00 C ATOM 308 CD1 TRP A 24 -11.669 -2.039 -0.411 1.00 0.00 C ATOM 309 CD2 TRP A 24 -10.357 -1.581 -2.168 1.00 0.00 C ATOM 310 NE1 TRP A 24 -12.455 -2.053 -1.538 1.00 0.00 N ATOM 311 CE2 TRP A 24 -11.675 -1.774 -2.629 1.00 0.00 C ATOM 312 CE3 TRP A 24 -9.356 -1.280 -3.096 1.00 0.00 C ATOM 313 CZ2 TRP A 24 -12.013 -1.675 -3.976 1.00 0.00 C ATOM 314 CZ3 TRP A 24 -9.695 -1.183 -4.432 1.00 0.00 C ATOM 315 CH2 TRP A 24 -11.013 -1.380 -4.862 1.00 0.00 C ATOM 0 H TRP A 24 -10.892 -0.594 1.996 1.00 0.00 H new ATOM 0 HA TRP A 24 -8.089 -0.102 1.174 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -8.288 -1.808 -0.376 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -9.271 -2.442 0.929 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -12.022 -2.225 0.593 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -13.457 -2.241 -1.559 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -8.336 -1.126 -2.775 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -13.029 -1.826 -4.310 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -8.930 -0.951 -5.158 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -11.245 -1.297 -5.914 1.00 0.00 H new ATOM 326 N THR A 25 -8.912 0.977 -1.150 1.00 0.00 N ATOM 327 CA THR A 25 -9.264 2.006 -2.120 1.00 0.00 C ATOM 328 C THR A 25 -8.914 1.568 -3.537 1.00 0.00 C ATOM 329 O THR A 25 -7.968 0.810 -3.747 1.00 0.00 O ATOM 330 CB THR A 25 -8.548 3.334 -1.814 1.00 0.00 C ATOM 331 OG1 THR A 25 -7.154 3.100 -1.588 1.00 0.00 O ATOM 332 CG2 THR A 25 -9.157 4.010 -0.595 1.00 0.00 C ATOM 0 H THR A 25 -8.106 0.410 -1.411 1.00 0.00 H new ATOM 0 HA THR A 25 -10.341 2.157 -2.045 1.00 0.00 H new ATOM 0 HB THR A 25 -8.671 3.992 -2.674 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.706 3.950 -1.396 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.634 4.946 -0.399 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.211 4.215 -0.781 1.00 0.00 H new ATOM 0 HG23 THR A 25 -9.063 3.354 0.270 1.00 0.00 H new ATOM 340 N ALA A 26 -9.684 2.050 -4.508 1.00 0.00 N ATOM 341 CA ALA A 26 -9.454 1.710 -5.906 1.00 0.00 C ATOM 342 C ALA A 26 -7.992 1.915 -6.286 1.00 0.00 C ATOM 343 O ALA A 26 -7.413 1.110 -7.016 1.00 0.00 O ATOM 344 CB ALA A 26 -10.358 2.539 -6.806 1.00 0.00 C ATOM 0 H ALA A 26 -10.473 2.677 -4.351 1.00 0.00 H new ATOM 0 HA ALA A 26 -9.693 0.655 -6.043 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.176 2.275 -7.848 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.400 2.339 -6.558 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.147 3.598 -6.658 1.00 0.00 H new ATOM 350 N GLU A 27 -7.401 2.997 -5.788 1.00 0.00 N ATOM 351 CA GLU A 27 -6.006 3.306 -6.079 1.00 0.00 C ATOM 352 C GLU A 27 -5.073 2.325 -5.377 1.00 0.00 C ATOM 353 O GLU A 27 -5.517 1.470 -4.610 1.00 0.00 O ATOM 354 CB GLU A 27 -5.678 4.738 -5.647 1.00 0.00 C ATOM 355 CG GLU A 27 -5.753 4.952 -4.145 1.00 0.00 C ATOM 356 CD GLU A 27 -5.878 6.416 -3.770 1.00 0.00 C ATOM 357 OE1 GLU A 27 -6.868 7.054 -4.187 1.00 0.00 O ATOM 358 OE2 GLU A 27 -4.986 6.924 -3.058 1.00 0.00 O ATOM 0 H GLU A 27 -7.866 3.673 -5.182 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.857 3.215 -7.155 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.676 4.992 -5.992 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.368 5.424 -6.138 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.607 4.404 -3.746 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.861 4.536 -3.677 1.00 0.00 H new ATOM 365 N SER A 28 -3.777 2.455 -5.644 1.00 0.00 N ATOM 366 CA SER A 28 -2.781 1.577 -5.041 1.00 0.00 C ATOM 367 C SER A 28 -2.705 1.796 -3.534 1.00 0.00 C ATOM 368 O SER A 28 -2.658 2.933 -3.061 1.00 0.00 O ATOM 369 CB SER A 28 -1.409 1.819 -5.674 1.00 0.00 C ATOM 370 OG SER A 28 -1.248 1.049 -6.853 1.00 0.00 O ATOM 0 H SER A 28 -3.393 3.159 -6.274 1.00 0.00 H new ATOM 0 HA SER A 28 -3.082 0.546 -5.225 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.295 2.877 -5.909 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.626 1.565 -4.960 1.00 0.00 H new ATOM 0 HG SER A 28 -0.346 0.666 -6.873 1.00 0.00 H new ATOM 376 N LEU A 29 -2.691 0.701 -2.783 1.00 0.00 N ATOM 377 CA LEU A 29 -2.621 0.771 -1.328 1.00 0.00 C ATOM 378 C LEU A 29 -1.193 0.545 -0.840 1.00 0.00 C ATOM 379 O LEU A 29 -0.520 -0.393 -1.270 1.00 0.00 O ATOM 380 CB LEU A 29 -3.556 -0.265 -0.701 1.00 0.00 C ATOM 381 CG LEU A 29 -4.202 0.131 0.627 1.00 0.00 C ATOM 382 CD1 LEU A 29 -5.393 -0.766 0.929 1.00 0.00 C ATOM 383 CD2 LEU A 29 -3.184 0.068 1.756 1.00 0.00 C ATOM 0 H LEU A 29 -2.727 -0.247 -3.158 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.937 1.768 -1.022 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.348 -0.489 -1.415 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.994 -1.187 -0.548 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.558 1.158 0.544 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.840 -0.470 1.878 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.132 -0.670 0.134 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.061 -1.802 0.992 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.662 0.353 2.693 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.797 -0.947 1.840 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.363 0.753 1.544 1.00 0.00 H new ATOM 395 N PHE A 30 -0.737 1.408 0.061 1.00 0.00 N ATOM 396 CA PHE A 30 0.611 1.302 0.608 1.00 0.00 C ATOM 397 C PHE A 30 0.652 0.304 1.761 1.00 0.00 C ATOM 398 O PHE A 30 -0.336 0.085 2.462 1.00 0.00 O ATOM 399 CB PHE A 30 1.099 2.671 1.085 1.00 0.00 C ATOM 400 CG PHE A 30 0.693 3.801 0.183 1.00 0.00 C ATOM 401 CD1 PHE A 30 0.955 3.748 -1.176 1.00 0.00 C ATOM 402 CD2 PHE A 30 0.047 4.916 0.695 1.00 0.00 C ATOM 403 CE1 PHE A 30 0.581 4.787 -2.009 1.00 0.00 C ATOM 404 CE2 PHE A 30 -0.328 5.956 -0.133 1.00 0.00 C ATOM 405 CZ PHE A 30 -0.060 5.892 -1.487 1.00 0.00 C ATOM 0 H PHE A 30 -1.281 2.189 0.428 1.00 0.00 H new ATOM 0 HA PHE A 30 1.271 0.944 -0.182 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.710 2.858 2.086 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.186 2.653 1.164 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.457 2.886 -1.590 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.165 4.972 1.752 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.790 4.733 -3.067 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.831 6.819 0.278 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.352 6.705 -2.135 1.00 0.00 H new ATOM 415 N PRO A 31 1.823 -0.317 1.964 1.00 0.00 N ATOM 416 CA PRO A 31 3.007 -0.065 1.135 1.00 0.00 C ATOM 417 C PRO A 31 2.850 -0.611 -0.281 1.00 0.00 C ATOM 418 O PRO A 31 3.078 0.100 -1.259 1.00 0.00 O ATOM 419 CB PRO A 31 4.122 -0.809 1.875 1.00 0.00 C ATOM 420 CG PRO A 31 3.422 -1.881 2.635 1.00 0.00 C ATOM 421 CD PRO A 31 2.083 -1.313 3.016 1.00 0.00 C ATOM 0 HA PRO A 31 3.198 1.001 1.009 1.00 0.00 H new ATOM 0 HB2 PRO A 31 4.849 -1.227 1.179 1.00 0.00 H new ATOM 0 HB3 PRO A 31 4.668 -0.142 2.543 1.00 0.00 H new ATOM 0 HG2 PRO A 31 3.306 -2.778 2.027 1.00 0.00 H new ATOM 0 HG3 PRO A 31 3.991 -2.167 3.520 1.00 0.00 H new ATOM 0 HD2 PRO A 31 1.312 -2.083 3.040 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.107 -0.856 4.005 1.00 0.00 H new ATOM 429 N CYS A 32 2.460 -1.876 -0.382 1.00 0.00 N ATOM 430 CA CYS A 32 2.272 -2.518 -1.677 1.00 0.00 C ATOM 431 C CYS A 32 0.962 -3.300 -1.713 1.00 0.00 C ATOM 432 O CYS A 32 0.202 -3.302 -0.745 1.00 0.00 O ATOM 433 CB CYS A 32 3.445 -3.452 -1.981 1.00 0.00 C ATOM 434 SG CYS A 32 3.525 -4.920 -0.904 1.00 0.00 S ATOM 0 H CYS A 32 2.268 -2.478 0.419 1.00 0.00 H new ATOM 0 HA CYS A 32 2.229 -1.739 -2.438 1.00 0.00 H new ATOM 0 HB2 CYS A 32 3.376 -3.779 -3.018 1.00 0.00 H new ATOM 0 HB3 CYS A 32 4.376 -2.893 -1.885 1.00 0.00 H new ATOM 439 N ARG A 33 0.706 -3.962 -2.836 1.00 0.00 N ATOM 440 CA ARG A 33 -0.512 -4.746 -2.999 1.00 0.00 C ATOM 441 C ARG A 33 -0.191 -6.235 -3.097 1.00 0.00 C ATOM 442 O ARG A 33 -1.018 -7.083 -2.760 1.00 0.00 O ATOM 443 CB ARG A 33 -1.273 -4.295 -4.247 1.00 0.00 C ATOM 444 CG ARG A 33 -0.471 -4.432 -5.532 1.00 0.00 C ATOM 445 CD ARG A 33 -1.379 -4.617 -6.737 1.00 0.00 C ATOM 446 NE ARG A 33 -0.642 -4.532 -7.995 1.00 0.00 N ATOM 447 CZ ARG A 33 -1.096 -5.014 -9.147 1.00 0.00 C ATOM 448 NH1 ARG A 33 -2.279 -5.611 -9.199 1.00 0.00 N ATOM 449 NH2 ARG A 33 -0.367 -4.898 -10.249 1.00 0.00 N ATOM 0 H ARG A 33 1.325 -3.971 -3.646 1.00 0.00 H new ATOM 0 HA ARG A 33 -1.138 -4.583 -2.122 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -2.188 -4.880 -4.336 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -1.571 -3.254 -4.124 1.00 0.00 H new ATOM 0 HG2 ARG A 33 0.147 -3.545 -5.673 1.00 0.00 H new ATOM 0 HG3 ARG A 33 0.206 -5.282 -5.451 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -1.875 -5.585 -6.672 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -2.160 -3.857 -6.722 1.00 0.00 H new ATOM 0 HE ARG A 33 0.271 -4.078 -7.989 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -2.842 -5.701 -8.354 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -2.625 -5.980 -10.084 1.00 0.00 H new ATOM 0 HH21 ARG A 33 0.543 -4.439 -10.213 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -0.716 -5.268 -11.133 1.00 0.00 H new ATOM 463 N VAL A 34 1.015 -6.546 -3.561 1.00 0.00 N ATOM 464 CA VAL A 34 1.446 -7.931 -3.704 1.00 0.00 C ATOM 465 C VAL A 34 1.476 -8.639 -2.353 1.00 0.00 C ATOM 466 O VAL A 34 1.185 -9.831 -2.258 1.00 0.00 O ATOM 467 CB VAL A 34 2.841 -8.022 -4.349 1.00 0.00 C ATOM 468 CG1 VAL A 34 2.786 -7.582 -5.804 1.00 0.00 C ATOM 469 CG2 VAL A 34 3.845 -7.186 -3.568 1.00 0.00 C ATOM 0 H VAL A 34 1.711 -5.857 -3.844 1.00 0.00 H new ATOM 0 HA VAL A 34 0.721 -8.422 -4.353 1.00 0.00 H new ATOM 0 HB VAL A 34 3.168 -9.061 -4.321 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.781 -7.653 -6.243 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.100 -8.227 -6.353 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.438 -6.551 -5.859 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.826 -7.262 -4.038 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.525 -6.144 -3.563 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.905 -7.552 -2.543 1.00 0.00 H new ATOM 479 N CYS A 35 1.830 -7.896 -1.310 1.00 0.00 N ATOM 480 CA CYS A 35 1.899 -8.451 0.036 1.00 0.00 C ATOM 481 C CYS A 35 0.542 -8.364 0.730 1.00 0.00 C ATOM 482 O CYS A 35 0.110 -7.287 1.143 1.00 0.00 O ATOM 483 CB CYS A 35 2.954 -7.712 0.861 1.00 0.00 C ATOM 484 SG CYS A 35 4.659 -7.934 0.259 1.00 0.00 S ATOM 0 H CYS A 35 2.074 -6.907 -1.371 1.00 0.00 H new ATOM 0 HA CYS A 35 2.180 -9.501 -0.044 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.717 -6.648 0.865 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.897 -8.055 1.894 1.00 0.00 H new ATOM 489 N THR A 36 -0.127 -9.506 0.854 1.00 0.00 N ATOM 490 CA THR A 36 -1.434 -9.561 1.497 1.00 0.00 C ATOM 491 C THR A 36 -1.548 -8.515 2.601 1.00 0.00 C ATOM 492 O THR A 36 -2.557 -7.818 2.705 1.00 0.00 O ATOM 493 CB THR A 36 -1.708 -10.954 2.095 1.00 0.00 C ATOM 494 OG1 THR A 36 -1.540 -11.960 1.090 1.00 0.00 O ATOM 495 CG2 THR A 36 -3.117 -11.030 2.664 1.00 0.00 C ATOM 0 H THR A 36 0.215 -10.406 0.517 1.00 0.00 H new ATOM 0 HA THR A 36 -2.175 -9.353 0.725 1.00 0.00 H new ATOM 0 HB THR A 36 -0.996 -11.125 2.903 1.00 0.00 H new ATOM 0 HG1 THR A 36 -1.714 -12.843 1.478 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.288 -12.023 3.081 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.233 -10.282 3.448 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.840 -10.840 1.871 1.00 0.00 H new ATOM 503 N ARG A 37 -0.508 -8.412 3.421 1.00 0.00 N ATOM 504 CA ARG A 37 -0.492 -7.451 4.518 1.00 0.00 C ATOM 505 C ARG A 37 -0.446 -6.020 3.987 1.00 0.00 C ATOM 506 O ARG A 37 0.609 -5.531 3.584 1.00 0.00 O ATOM 507 CB ARG A 37 0.708 -7.706 5.430 1.00 0.00 C ATOM 508 CG ARG A 37 0.543 -7.133 6.828 1.00 0.00 C ATOM 509 CD ARG A 37 1.599 -7.673 7.781 1.00 0.00 C ATOM 510 NE ARG A 37 1.405 -7.189 9.145 1.00 0.00 N ATOM 511 CZ ARG A 37 1.833 -7.838 10.222 1.00 0.00 C ATOM 512 NH1 ARG A 37 2.474 -8.991 10.095 1.00 0.00 N ATOM 513 NH2 ARG A 37 1.617 -7.333 11.431 1.00 0.00 N ATOM 0 H ARG A 37 0.335 -8.982 3.347 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.410 -7.578 5.092 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.875 -8.781 5.504 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.599 -7.276 4.973 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.611 -6.046 6.787 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -0.449 -7.377 7.207 1.00 0.00 H new ATOM 0 HD2 ARG A 37 1.569 -8.763 7.775 1.00 0.00 H new ATOM 0 HD3 ARG A 37 2.588 -7.380 7.430 1.00 0.00 H new ATOM 0 HE ARG A 37 0.914 -6.305 9.278 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.640 -9.383 9.168 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.801 -9.487 10.924 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.122 -6.447 11.533 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.946 -7.831 12.258 1.00 0.00 H new ATOM 527 N VAL A 38 -1.598 -5.357 3.989 1.00 0.00 N ATOM 528 CA VAL A 38 -1.689 -3.984 3.509 1.00 0.00 C ATOM 529 C VAL A 38 -1.843 -3.005 4.668 1.00 0.00 C ATOM 530 O VAL A 38 -2.703 -3.179 5.531 1.00 0.00 O ATOM 531 CB VAL A 38 -2.874 -3.805 2.540 1.00 0.00 C ATOM 532 CG1 VAL A 38 -2.661 -4.629 1.280 1.00 0.00 C ATOM 533 CG2 VAL A 38 -4.180 -4.184 3.221 1.00 0.00 C ATOM 0 H VAL A 38 -2.481 -5.749 4.318 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.760 -3.772 2.979 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.932 -2.755 2.253 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.507 -4.490 0.607 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.746 -4.305 0.784 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.577 -5.683 1.545 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.006 -4.052 2.523 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.136 -5.226 3.538 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.335 -3.546 4.091 1.00 0.00 H new ATOM 543 N PHE A 39 -1.003 -1.975 4.680 1.00 0.00 N ATOM 544 CA PHE A 39 -1.045 -0.967 5.734 1.00 0.00 C ATOM 545 C PHE A 39 -0.555 0.381 5.216 1.00 0.00 C ATOM 546 O PHE A 39 0.558 0.496 4.701 1.00 0.00 O ATOM 547 CB PHE A 39 -0.192 -1.409 6.925 1.00 0.00 C ATOM 548 CG PHE A 39 1.045 -2.163 6.530 1.00 0.00 C ATOM 549 CD1 PHE A 39 0.981 -3.514 6.224 1.00 0.00 C ATOM 550 CD2 PHE A 39 2.272 -1.524 6.465 1.00 0.00 C ATOM 551 CE1 PHE A 39 2.117 -4.211 5.859 1.00 0.00 C ATOM 552 CE2 PHE A 39 3.411 -2.216 6.101 1.00 0.00 C ATOM 553 CZ PHE A 39 3.334 -3.561 5.799 1.00 0.00 C ATOM 0 H PHE A 39 -0.286 -1.816 3.973 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.080 -0.858 6.058 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.097 -0.530 7.501 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.796 -2.036 7.581 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.032 -4.028 6.272 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.339 -0.472 6.702 1.00 0.00 H new ATOM 0 HE1 PHE A 39 2.053 -5.263 5.621 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.361 -1.705 6.053 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.224 -4.104 5.516 1.00 0.00 H new ATOM 563 N HIS A 40 -1.395 1.403 5.355 1.00 0.00 N ATOM 564 CA HIS A 40 -1.048 2.745 4.902 1.00 0.00 C ATOM 565 C HIS A 40 0.325 3.158 5.424 1.00 0.00 C ATOM 566 O HIS A 40 0.770 2.684 6.469 1.00 0.00 O ATOM 567 CB HIS A 40 -2.105 3.750 5.361 1.00 0.00 C ATOM 568 CG HIS A 40 -3.481 3.447 4.854 1.00 0.00 C ATOM 569 ND1 HIS A 40 -4.629 3.837 5.512 1.00 0.00 N ATOM 570 CD2 HIS A 40 -3.890 2.790 3.744 1.00 0.00 C ATOM 571 CE1 HIS A 40 -5.684 3.430 4.829 1.00 0.00 C ATOM 572 NE2 HIS A 40 -5.263 2.792 3.751 1.00 0.00 N ATOM 0 H HIS A 40 -2.320 1.327 5.778 1.00 0.00 H new ATOM 0 HA HIS A 40 -1.014 2.736 3.813 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -2.125 3.771 6.451 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -1.815 4.747 5.028 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -3.254 2.346 2.992 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -6.716 3.591 5.105 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -5.861 2.370 3.040 1.00 0.00 H new ATOM 580 N ASP A 41 0.990 4.042 4.690 1.00 0.00 N ATOM 581 CA ASP A 41 2.312 4.518 5.079 1.00 0.00 C ATOM 582 C ASP A 41 2.223 5.441 6.290 1.00 0.00 C ATOM 583 O ASP A 41 3.081 5.412 7.170 1.00 0.00 O ATOM 584 CB ASP A 41 2.978 5.250 3.913 1.00 0.00 C ATOM 585 CG ASP A 41 3.801 4.322 3.039 1.00 0.00 C ATOM 586 OD1 ASP A 41 3.521 3.106 3.041 1.00 0.00 O ATOM 587 OD2 ASP A 41 4.724 4.813 2.357 1.00 0.00 O ATOM 0 H ASP A 41 0.636 4.444 3.822 1.00 0.00 H new ATOM 0 HA ASP A 41 2.917 3.652 5.348 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.212 5.732 3.305 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.619 6.040 4.303 1.00 0.00 H new ATOM 592 N GLY A 42 1.177 6.262 6.326 1.00 0.00 N ATOM 593 CA GLY A 42 0.994 7.183 7.433 1.00 0.00 C ATOM 594 C GLY A 42 0.654 6.473 8.729 1.00 0.00 C ATOM 595 O GLY A 42 1.276 6.719 9.762 1.00 0.00 O ATOM 0 H GLY A 42 0.453 6.306 5.608 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.904 7.767 7.570 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.198 7.887 7.188 1.00 0.00 H new ATOM 599 N CYS A 43 -0.337 5.589 8.674 1.00 0.00 N ATOM 600 CA CYS A 43 -0.761 4.843 9.852 1.00 0.00 C ATOM 601 C CYS A 43 0.442 4.406 10.682 1.00 0.00 C ATOM 602 O CYS A 43 0.425 4.488 11.911 1.00 0.00 O ATOM 603 CB CYS A 43 -1.581 3.619 9.438 1.00 0.00 C ATOM 604 SG CYS A 43 -3.372 3.930 9.311 1.00 0.00 S ATOM 0 H CYS A 43 -0.861 5.372 7.826 1.00 0.00 H new ATOM 0 HA CYS A 43 -1.382 5.499 10.462 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -1.217 3.260 8.476 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -1.412 2.821 10.161 1.00 0.00 H new ATOM 609 N LEU A 44 1.484 3.940 10.003 1.00 0.00 N ATOM 610 CA LEU A 44 2.698 3.490 10.676 1.00 0.00 C ATOM 611 C LEU A 44 3.327 4.623 11.479 1.00 0.00 C ATOM 612 O LEU A 44 3.403 4.560 12.706 1.00 0.00 O ATOM 613 CB LEU A 44 3.702 2.954 9.655 1.00 0.00 C ATOM 614 CG LEU A 44 3.171 1.905 8.677 1.00 0.00 C ATOM 615 CD1 LEU A 44 4.147 1.704 7.527 1.00 0.00 C ATOM 616 CD2 LEU A 44 2.912 0.589 9.395 1.00 0.00 C ATOM 0 H LEU A 44 1.513 3.864 8.986 1.00 0.00 H new ATOM 0 HA LEU A 44 2.427 2.689 11.364 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.089 3.795 9.080 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.545 2.524 10.196 1.00 0.00 H new ATOM 0 HG LEU A 44 2.227 2.264 8.267 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.752 0.954 6.842 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.282 2.646 6.996 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.107 1.368 7.919 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.535 -0.146 8.684 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.841 0.225 9.834 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.175 0.743 10.183 1.00 0.00 H new ATOM 628 N ARG A 45 3.775 5.659 10.779 1.00 0.00 N ATOM 629 CA ARG A 45 4.397 6.808 11.427 1.00 0.00 C ATOM 630 C ARG A 45 3.493 7.372 12.518 1.00 0.00 C ATOM 631 O ARG A 45 3.968 7.833 13.557 1.00 0.00 O ATOM 632 CB ARG A 45 4.710 7.894 10.396 1.00 0.00 C ATOM 633 CG ARG A 45 3.490 8.688 9.958 1.00 0.00 C ATOM 634 CD ARG A 45 3.887 9.987 9.273 1.00 0.00 C ATOM 635 NE ARG A 45 2.727 10.817 8.961 1.00 0.00 N ATOM 636 CZ ARG A 45 2.172 11.660 9.825 1.00 0.00 C ATOM 637 NH1 ARG A 45 2.669 11.784 11.048 1.00 0.00 N ATOM 638 NH2 ARG A 45 1.118 12.381 9.466 1.00 0.00 N ATOM 0 H ARG A 45 3.719 5.727 9.763 1.00 0.00 H new ATOM 0 HA ARG A 45 5.327 6.475 11.887 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.448 8.579 10.815 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.165 7.431 9.520 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.888 8.086 9.278 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.867 8.908 10.825 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.568 10.543 9.917 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.429 9.762 8.355 1.00 0.00 H new ATOM 0 HE ARG A 45 2.320 10.746 8.028 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.479 11.231 11.328 1.00 0.00 H new ATOM 0 HH12 ARG A 45 2.241 12.432 11.709 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.733 12.288 8.526 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.693 13.028 10.130 1.00 0.00 H new ATOM 652 N ARG A 46 2.187 7.335 12.275 1.00 0.00 N ATOM 653 CA ARG A 46 1.215 7.844 13.236 1.00 0.00 C ATOM 654 C ARG A 46 1.414 7.197 14.603 1.00 0.00 C ATOM 655 O ARG A 46 1.473 7.885 15.623 1.00 0.00 O ATOM 656 CB ARG A 46 -0.208 7.587 12.739 1.00 0.00 C ATOM 657 CG ARG A 46 -1.280 8.239 13.598 1.00 0.00 C ATOM 658 CD ARG A 46 -1.742 7.313 14.712 1.00 0.00 C ATOM 659 NE ARG A 46 -2.680 7.971 15.617 1.00 0.00 N ATOM 660 CZ ARG A 46 -3.956 8.190 15.321 1.00 0.00 C ATOM 661 NH1 ARG A 46 -4.445 7.806 14.151 1.00 0.00 N ATOM 662 NH2 ARG A 46 -4.747 8.795 16.198 1.00 0.00 N ATOM 0 H ARG A 46 1.777 6.958 11.421 1.00 0.00 H new ATOM 0 HA ARG A 46 1.368 8.919 13.336 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.299 7.956 11.717 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.384 6.512 12.707 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -0.891 9.162 14.029 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -2.131 8.512 12.974 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.215 6.432 14.278 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.877 6.965 15.277 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.336 8.279 16.527 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -3.841 7.340 13.474 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.426 7.976 13.927 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.375 9.092 17.100 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.727 8.963 15.970 1.00 0.00 H new ATOM 676 N MET A 47 1.516 5.873 14.617 1.00 0.00 N ATOM 677 CA MET A 47 1.707 5.134 15.859 1.00 0.00 C ATOM 678 C MET A 47 3.183 5.086 16.241 1.00 0.00 C ATOM 679 O MET A 47 3.562 5.479 17.344 1.00 0.00 O ATOM 680 CB MET A 47 1.158 3.713 15.722 1.00 0.00 C ATOM 681 CG MET A 47 -0.332 3.662 15.425 1.00 0.00 C ATOM 682 SD MET A 47 -0.889 2.018 14.941 1.00 0.00 S ATOM 683 CE MET A 47 -0.278 1.936 13.259 1.00 0.00 C ATOM 0 H MET A 47 1.470 5.289 13.782 1.00 0.00 H new ATOM 0 HA MET A 47 1.162 5.652 16.648 1.00 0.00 H new ATOM 0 HB2 MET A 47 1.696 3.200 14.925 1.00 0.00 H new ATOM 0 HB3 MET A 47 1.355 3.166 16.644 1.00 0.00 H new ATOM 0 HG2 MET A 47 -0.885 3.983 16.307 1.00 0.00 H new ATOM 0 HG3 MET A 47 -0.564 4.369 14.628 1.00 0.00 H new ATOM 0 HE1 MET A 47 -0.219 0.894 12.944 1.00 0.00 H new ATOM 0 HE2 MET A 47 -0.956 2.477 12.599 1.00 0.00 H new ATOM 0 HE3 MET A 47 0.713 2.387 13.210 1.00 0.00 H new ATOM 693 N GLY A 48 4.013 4.603 15.321 1.00 0.00 N ATOM 694 CA GLY A 48 5.438 4.513 15.581 1.00 0.00 C ATOM 695 C GLY A 48 6.003 3.146 15.251 1.00 0.00 C ATOM 696 O GLY A 48 6.570 2.476 16.113 1.00 0.00 O ATOM 0 H GLY A 48 3.724 4.273 14.400 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.960 5.269 14.994 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.627 4.737 16.631 1.00 0.00 H new ATOM 700 N TYR A 49 5.846 2.730 13.998 1.00 0.00 N ATOM 701 CA TYR A 49 6.340 1.431 13.557 1.00 0.00 C ATOM 702 C TYR A 49 7.511 1.594 12.593 1.00 0.00 C ATOM 703 O TYR A 49 8.478 0.832 12.638 1.00 0.00 O ATOM 704 CB TYR A 49 5.219 0.637 12.886 1.00 0.00 C ATOM 705 CG TYR A 49 4.263 -0.007 13.865 1.00 0.00 C ATOM 706 CD1 TYR A 49 4.710 -0.947 14.786 1.00 0.00 C ATOM 707 CD2 TYR A 49 2.914 0.323 13.868 1.00 0.00 C ATOM 708 CE1 TYR A 49 3.840 -1.538 15.682 1.00 0.00 C ATOM 709 CE2 TYR A 49 2.037 -0.262 14.761 1.00 0.00 C ATOM 710 CZ TYR A 49 2.505 -1.192 15.666 1.00 0.00 C ATOM 711 OH TYR A 49 1.635 -1.778 16.557 1.00 0.00 O ATOM 0 H TYR A 49 5.381 3.274 13.271 1.00 0.00 H new ATOM 0 HA TYR A 49 6.687 0.885 14.434 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.659 1.301 12.227 1.00 0.00 H new ATOM 0 HB3 TYR A 49 5.659 -0.138 12.258 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.755 -1.220 14.802 1.00 0.00 H new ATOM 0 HD2 TYR A 49 2.544 1.050 13.160 1.00 0.00 H new ATOM 0 HE1 TYR A 49 4.203 -2.267 16.391 1.00 0.00 H new ATOM 0 HE2 TYR A 49 0.991 0.007 14.751 1.00 0.00 H new ATOM 0 HH TYR A 49 0.733 -1.424 16.414 1.00 0.00 H new ATOM 721 N ILE A 50 7.418 2.593 11.721 1.00 0.00 N ATOM 722 CA ILE A 50 8.469 2.858 10.747 1.00 0.00 C ATOM 723 C ILE A 50 9.792 3.170 11.437 1.00 0.00 C ATOM 724 O ILE A 50 10.784 2.468 11.245 1.00 0.00 O ATOM 725 CB ILE A 50 8.095 4.030 9.821 1.00 0.00 C ATOM 726 CG1 ILE A 50 6.671 3.858 9.293 1.00 0.00 C ATOM 727 CG2 ILE A 50 9.084 4.131 8.668 1.00 0.00 C ATOM 728 CD1 ILE A 50 6.252 4.938 8.321 1.00 0.00 C ATOM 0 H ILE A 50 6.625 3.232 11.670 1.00 0.00 H new ATOM 0 HA ILE A 50 8.580 1.954 10.148 1.00 0.00 H new ATOM 0 HB ILE A 50 8.140 4.955 10.396 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.589 2.888 8.803 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.979 3.850 10.135 1.00 0.00 H new ATOM 0 HG21 ILE A 50 8.806 4.964 8.022 1.00 0.00 H new ATOM 0 HG22 ILE A 50 10.087 4.296 9.062 1.00 0.00 H new ATOM 0 HG23 ILE A 50 9.068 3.205 8.093 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.231 4.752 7.988 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.302 5.909 8.813 1.00 0.00 H new ATOM 0 HD13 ILE A 50 6.921 4.933 7.460 1.00 0.00 H new ATOM 740 N GLN A 51 9.797 4.227 12.243 1.00 0.00 N ATOM 741 CA GLN A 51 10.999 4.632 12.963 1.00 0.00 C ATOM 742 C GLN A 51 11.161 3.826 14.247 1.00 0.00 C ATOM 743 O GLN A 51 10.194 3.596 14.974 1.00 0.00 O ATOM 744 CB GLN A 51 10.944 6.127 13.287 1.00 0.00 C ATOM 745 CG GLN A 51 12.313 6.786 13.343 1.00 0.00 C ATOM 746 CD GLN A 51 12.266 8.177 13.945 1.00 0.00 C ATOM 747 OE1 GLN A 51 11.431 8.467 14.802 1.00 0.00 O ATOM 748 NE2 GLN A 51 13.164 9.046 13.496 1.00 0.00 N ATOM 0 H GLN A 51 8.983 4.818 12.414 1.00 0.00 H new ATOM 0 HA GLN A 51 11.860 4.437 12.323 1.00 0.00 H new ATOM 0 HB2 GLN A 51 10.337 6.632 12.535 1.00 0.00 H new ATOM 0 HB3 GLN A 51 10.444 6.265 14.246 1.00 0.00 H new ATOM 0 HG2 GLN A 51 12.988 6.163 13.929 1.00 0.00 H new ATOM 0 HG3 GLN A 51 12.726 6.844 12.336 1.00 0.00 H new ATOM 0 HE21 GLN A 51 13.837 8.762 12.785 1.00 0.00 H new ATOM 0 HE22 GLN A 51 13.180 9.998 13.862 1.00 0.00 H new ATOM 757 N GLY A 52 12.390 3.400 14.521 1.00 0.00 N ATOM 758 CA GLY A 52 12.656 2.624 15.719 1.00 0.00 C ATOM 759 C GLY A 52 14.117 2.239 15.848 1.00 0.00 C ATOM 760 O GLY A 52 14.533 1.186 15.366 1.00 0.00 O ATOM 0 H GLY A 52 13.206 3.578 13.935 1.00 0.00 H new ATOM 0 HA2 GLY A 52 12.356 3.199 16.595 1.00 0.00 H new ATOM 0 HA3 GLY A 52 12.045 1.721 15.707 1.00 0.00 H new ATOM 764 N ASP A 53 14.897 3.096 16.497 1.00 0.00 N ATOM 765 CA ASP A 53 16.320 2.840 16.687 1.00 0.00 C ATOM 766 C ASP A 53 17.047 2.789 15.347 1.00 0.00 C ATOM 767 O ASP A 53 18.023 2.056 15.187 1.00 0.00 O ATOM 768 CB ASP A 53 16.528 1.528 17.445 1.00 0.00 C ATOM 769 CG ASP A 53 15.822 1.516 18.787 1.00 0.00 C ATOM 770 OD1 ASP A 53 16.162 2.358 19.644 1.00 0.00 O ATOM 771 OD2 ASP A 53 14.929 0.664 18.980 1.00 0.00 O ATOM 0 H ASP A 53 14.568 3.973 16.900 1.00 0.00 H new ATOM 0 HA ASP A 53 16.736 3.659 17.274 1.00 0.00 H new ATOM 0 HB2 ASP A 53 16.163 0.699 16.838 1.00 0.00 H new ATOM 0 HB3 ASP A 53 17.595 1.365 17.598 1.00 0.00 H new ATOM 776 N SER A 54 16.563 3.572 14.387 1.00 0.00 N ATOM 777 CA SER A 54 17.164 3.611 13.059 1.00 0.00 C ATOM 778 C SER A 54 16.632 4.795 12.258 1.00 0.00 C ATOM 779 O SER A 54 15.427 4.918 12.038 1.00 0.00 O ATOM 780 CB SER A 54 16.884 2.307 12.310 1.00 0.00 C ATOM 781 OG SER A 54 15.520 1.940 12.418 1.00 0.00 O ATOM 0 H SER A 54 15.758 4.187 14.504 1.00 0.00 H new ATOM 0 HA SER A 54 18.241 3.729 13.178 1.00 0.00 H new ATOM 0 HB2 SER A 54 17.151 2.423 11.259 1.00 0.00 H new ATOM 0 HB3 SER A 54 17.511 1.511 12.712 1.00 0.00 H new ATOM 0 HG SER A 54 14.957 2.733 12.294 1.00 0.00 H new ATOM 787 N ALA A 55 17.539 5.665 11.825 1.00 0.00 N ATOM 788 CA ALA A 55 17.162 6.838 11.046 1.00 0.00 C ATOM 789 C ALA A 55 18.059 6.995 9.823 1.00 0.00 C ATOM 790 O ALA A 55 17.971 7.989 9.102 1.00 0.00 O ATOM 791 CB ALA A 55 17.223 8.088 11.912 1.00 0.00 C ATOM 0 H ALA A 55 18.540 5.579 12.001 1.00 0.00 H new ATOM 0 HA ALA A 55 16.138 6.700 10.698 1.00 0.00 H new ATOM 0 HB1 ALA A 55 16.939 8.957 11.318 1.00 0.00 H new ATOM 0 HB2 ALA A 55 16.536 7.983 12.752 1.00 0.00 H new ATOM 0 HB3 ALA A 55 18.238 8.221 12.288 1.00 0.00 H new ATOM 797 N ALA A 56 18.920 6.010 9.596 1.00 0.00 N ATOM 798 CA ALA A 56 19.831 6.039 8.458 1.00 0.00 C ATOM 799 C ALA A 56 19.573 4.867 7.518 1.00 0.00 C ATOM 800 O ALA A 56 20.267 4.701 6.515 1.00 0.00 O ATOM 801 CB ALA A 56 21.275 6.025 8.938 1.00 0.00 C ATOM 0 H ALA A 56 19.006 5.182 10.185 1.00 0.00 H new ATOM 0 HA ALA A 56 19.652 6.961 7.904 1.00 0.00 H new ATOM 0 HB1 ALA A 56 21.944 6.047 8.078 1.00 0.00 H new ATOM 0 HB2 ALA A 56 21.459 6.899 9.563 1.00 0.00 H new ATOM 0 HB3 ALA A 56 21.457 5.119 9.517 1.00 0.00 H new ATOM 807 N GLU A 57 18.571 4.058 7.848 1.00 0.00 N ATOM 808 CA GLU A 57 18.223 2.901 7.032 1.00 0.00 C ATOM 809 C GLU A 57 16.717 2.825 6.810 1.00 0.00 C ATOM 810 O GLU A 57 16.115 1.755 6.912 1.00 0.00 O ATOM 811 CB GLU A 57 18.718 1.614 7.697 1.00 0.00 C ATOM 812 CG GLU A 57 18.380 1.525 9.176 1.00 0.00 C ATOM 813 CD GLU A 57 19.402 2.227 10.050 1.00 0.00 C ATOM 814 OE1 GLU A 57 19.303 3.461 10.206 1.00 0.00 O ATOM 815 OE2 GLU A 57 20.301 1.539 10.580 1.00 0.00 O ATOM 0 H GLU A 57 17.986 4.183 8.674 1.00 0.00 H new ATOM 0 HA GLU A 57 18.710 3.012 6.063 1.00 0.00 H new ATOM 0 HB2 GLU A 57 18.283 0.758 7.181 1.00 0.00 H new ATOM 0 HB3 GLU A 57 19.799 1.544 7.575 1.00 0.00 H new ATOM 0 HG2 GLU A 57 17.397 1.964 9.348 1.00 0.00 H new ATOM 0 HG3 GLU A 57 18.316 0.477 9.468 1.00 0.00 H new ATOM 822 N VAL A 58 16.111 3.968 6.505 1.00 0.00 N ATOM 823 CA VAL A 58 14.674 4.033 6.268 1.00 0.00 C ATOM 824 C VAL A 58 14.372 4.322 4.801 1.00 0.00 C ATOM 825 O VAL A 58 15.053 5.123 4.160 1.00 0.00 O ATOM 826 CB VAL A 58 14.008 5.115 7.139 1.00 0.00 C ATOM 827 CG1 VAL A 58 14.243 4.831 8.614 1.00 0.00 C ATOM 828 CG2 VAL A 58 14.528 6.495 6.764 1.00 0.00 C ATOM 0 H VAL A 58 16.594 4.862 6.416 1.00 0.00 H new ATOM 0 HA VAL A 58 14.265 3.059 6.537 1.00 0.00 H new ATOM 0 HB VAL A 58 12.934 5.095 6.956 1.00 0.00 H new ATOM 0 HG11 VAL A 58 13.765 5.605 9.214 1.00 0.00 H new ATOM 0 HG12 VAL A 58 13.818 3.860 8.870 1.00 0.00 H new ATOM 0 HG13 VAL A 58 15.314 4.823 8.817 1.00 0.00 H new ATOM 0 HG21 VAL A 58 14.047 7.247 7.389 1.00 0.00 H new ATOM 0 HG22 VAL A 58 15.607 6.531 6.917 1.00 0.00 H new ATOM 0 HG23 VAL A 58 14.303 6.696 5.717 1.00 0.00 H new ATOM 838 N THR A 59 13.345 3.663 4.273 1.00 0.00 N ATOM 839 CA THR A 59 12.952 3.846 2.881 1.00 0.00 C ATOM 840 C THR A 59 11.447 4.060 2.758 1.00 0.00 C ATOM 841 O THR A 59 10.687 3.104 2.617 1.00 0.00 O ATOM 842 CB THR A 59 13.360 2.638 2.018 1.00 0.00 C ATOM 843 OG1 THR A 59 14.727 2.294 2.272 1.00 0.00 O ATOM 844 CG2 THR A 59 13.174 2.942 0.540 1.00 0.00 C ATOM 0 H THR A 59 12.770 2.997 4.789 1.00 0.00 H new ATOM 0 HA THR A 59 13.473 4.733 2.520 1.00 0.00 H new ATOM 0 HB THR A 59 12.719 1.797 2.283 1.00 0.00 H new ATOM 0 HG1 THR A 59 14.978 1.524 1.721 1.00 0.00 H new ATOM 0 HG21 THR A 59 13.469 2.074 -0.050 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.127 3.175 0.345 1.00 0.00 H new ATOM 0 HG23 THR A 59 13.793 3.796 0.263 1.00 0.00 H new ATOM 852 N GLU A 60 11.027 5.320 2.812 1.00 0.00 N ATOM 853 CA GLU A 60 9.612 5.658 2.706 1.00 0.00 C ATOM 854 C GLU A 60 9.367 6.615 1.544 1.00 0.00 C ATOM 855 O GLU A 60 9.561 7.824 1.671 1.00 0.00 O ATOM 856 CB GLU A 60 9.116 6.283 4.011 1.00 0.00 C ATOM 857 CG GLU A 60 10.056 7.333 4.580 1.00 0.00 C ATOM 858 CD GLU A 60 9.491 8.018 5.808 1.00 0.00 C ATOM 859 OE1 GLU A 60 8.401 8.618 5.705 1.00 0.00 O ATOM 860 OE2 GLU A 60 10.140 7.955 6.874 1.00 0.00 O ATOM 0 H GLU A 60 11.645 6.123 2.928 1.00 0.00 H new ATOM 0 HA GLU A 60 9.057 4.739 2.519 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.140 6.737 3.839 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.975 5.495 4.751 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.006 6.864 4.835 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.265 8.081 3.815 1.00 0.00 H new ATOM 867 N MET A 61 8.941 6.067 0.412 1.00 0.00 N ATOM 868 CA MET A 61 8.668 6.872 -0.773 1.00 0.00 C ATOM 869 C MET A 61 7.637 6.191 -1.669 1.00 0.00 C ATOM 870 O MET A 61 7.741 4.998 -1.952 1.00 0.00 O ATOM 871 CB MET A 61 9.959 7.118 -1.556 1.00 0.00 C ATOM 872 CG MET A 61 10.875 8.145 -0.911 1.00 0.00 C ATOM 873 SD MET A 61 12.158 8.733 -2.033 1.00 0.00 S ATOM 874 CE MET A 61 12.896 10.036 -1.051 1.00 0.00 C ATOM 0 H MET A 61 8.777 5.068 0.290 1.00 0.00 H new ATOM 0 HA MET A 61 8.262 7.829 -0.446 1.00 0.00 H new ATOM 0 HB2 MET A 61 10.498 6.176 -1.658 1.00 0.00 H new ATOM 0 HB3 MET A 61 9.706 7.451 -2.563 1.00 0.00 H new ATOM 0 HG2 MET A 61 10.281 8.992 -0.569 1.00 0.00 H new ATOM 0 HG3 MET A 61 11.342 7.707 -0.029 1.00 0.00 H new ATOM 0 HE1 MET A 61 13.709 10.498 -1.611 1.00 0.00 H new ATOM 0 HE2 MET A 61 12.142 10.788 -0.819 1.00 0.00 H new ATOM 0 HE3 MET A 61 13.287 9.616 -0.124 1.00 0.00 H new ATOM 884 N ALA A 62 6.645 6.957 -2.110 1.00 0.00 N ATOM 885 CA ALA A 62 5.598 6.427 -2.974 1.00 0.00 C ATOM 886 C ALA A 62 5.327 7.364 -4.146 1.00 0.00 C ATOM 887 O ALA A 62 5.658 8.550 -4.095 1.00 0.00 O ATOM 888 CB ALA A 62 4.324 6.194 -2.177 1.00 0.00 C ATOM 0 H ALA A 62 6.544 7.946 -1.883 1.00 0.00 H new ATOM 0 HA ALA A 62 5.941 5.474 -3.376 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.550 5.798 -2.835 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.521 5.480 -1.377 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.987 7.137 -1.747 1.00 0.00 H new ATOM 894 N HIS A 63 4.725 6.826 -5.201 1.00 0.00 N ATOM 895 CA HIS A 63 4.409 7.615 -6.387 1.00 0.00 C ATOM 896 C HIS A 63 5.598 8.479 -6.797 1.00 0.00 C ATOM 897 O HIS A 63 5.433 9.629 -7.205 1.00 0.00 O ATOM 898 CB HIS A 63 3.188 8.498 -6.128 1.00 0.00 C ATOM 899 CG HIS A 63 1.956 7.726 -5.772 1.00 0.00 C ATOM 900 ND1 HIS A 63 1.121 7.163 -6.715 1.00 0.00 N ATOM 901 CD2 HIS A 63 1.417 7.424 -4.567 1.00 0.00 C ATOM 902 CE1 HIS A 63 0.122 6.548 -6.105 1.00 0.00 C ATOM 903 NE2 HIS A 63 0.279 6.691 -4.801 1.00 0.00 N ATOM 0 H HIS A 63 4.446 5.847 -5.260 1.00 0.00 H new ATOM 0 HA HIS A 63 4.184 6.927 -7.202 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.417 9.193 -5.320 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.988 9.097 -7.017 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.809 7.707 -3.601 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -0.685 6.019 -6.590 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -0.344 6.318 -4.084 1.00 0.00 H new ATOM 911 N THR A 64 6.798 7.917 -6.683 1.00 0.00 N ATOM 912 CA THR A 64 8.015 8.636 -7.041 1.00 0.00 C ATOM 913 C THR A 64 8.702 7.993 -8.239 1.00 0.00 C ATOM 914 O THR A 64 8.251 6.966 -8.747 1.00 0.00 O ATOM 915 CB THR A 64 9.004 8.685 -5.862 1.00 0.00 C ATOM 916 OG1 THR A 64 8.289 8.768 -4.624 1.00 0.00 O ATOM 917 CG2 THR A 64 9.943 9.874 -5.992 1.00 0.00 C ATOM 0 H THR A 64 6.953 6.967 -6.346 1.00 0.00 H new ATOM 0 HA THR A 64 7.717 9.652 -7.300 1.00 0.00 H new ATOM 0 HB THR A 64 9.597 7.771 -5.877 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.360 9.027 -4.799 1.00 0.00 H new ATOM 0 HG21 THR A 64 10.632 9.887 -5.148 1.00 0.00 H new ATOM 0 HG22 THR A 64 10.508 9.792 -6.920 1.00 0.00 H new ATOM 0 HG23 THR A 64 9.363 10.797 -6.001 1.00 0.00 H new ATOM 925 N GLU A 65 9.796 8.602 -8.687 1.00 0.00 N ATOM 926 CA GLU A 65 10.544 8.087 -9.827 1.00 0.00 C ATOM 927 C GLU A 65 10.505 6.562 -9.860 1.00 0.00 C ATOM 928 O GLU A 65 10.406 5.954 -10.926 1.00 0.00 O ATOM 929 CB GLU A 65 11.995 8.570 -9.772 1.00 0.00 C ATOM 930 CG GLU A 65 12.838 7.850 -8.732 1.00 0.00 C ATOM 931 CD GLU A 65 14.093 8.618 -8.366 1.00 0.00 C ATOM 932 OE1 GLU A 65 14.803 9.068 -9.290 1.00 0.00 O ATOM 933 OE2 GLU A 65 14.367 8.768 -7.158 1.00 0.00 O ATOM 0 H GLU A 65 10.183 9.452 -8.278 1.00 0.00 H new ATOM 0 HA GLU A 65 10.076 8.464 -10.736 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.451 8.436 -10.753 1.00 0.00 H new ATOM 0 HB3 GLU A 65 12.005 9.639 -9.559 1.00 0.00 H new ATOM 0 HG2 GLU A 65 12.241 7.688 -7.835 1.00 0.00 H new ATOM 0 HG3 GLU A 65 13.116 6.867 -9.112 1.00 0.00 H new ATOM 940 N THR A 66 10.584 5.948 -8.683 1.00 0.00 N ATOM 941 CA THR A 66 10.560 4.495 -8.576 1.00 0.00 C ATOM 942 C THR A 66 9.137 3.981 -8.389 1.00 0.00 C ATOM 943 O THR A 66 8.632 3.212 -9.206 1.00 0.00 O ATOM 944 CB THR A 66 11.429 4.004 -7.402 1.00 0.00 C ATOM 945 OG1 THR A 66 12.740 4.572 -7.493 1.00 0.00 O ATOM 946 CG2 THR A 66 11.526 2.486 -7.399 1.00 0.00 C ATOM 0 H THR A 66 10.665 6.435 -7.791 1.00 0.00 H new ATOM 0 HA THR A 66 10.966 4.103 -9.508 1.00 0.00 H new ATOM 0 HB THR A 66 10.959 4.323 -6.472 1.00 0.00 H new ATOM 0 HG1 THR A 66 13.286 4.257 -6.743 1.00 0.00 H new ATOM 0 HG21 THR A 66 12.144 2.163 -6.562 1.00 0.00 H new ATOM 0 HG22 THR A 66 10.528 2.058 -7.300 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.975 2.148 -8.333 1.00 0.00 H new ATOM 954 N GLY A 67 8.494 4.413 -7.309 1.00 0.00 N ATOM 955 CA GLY A 67 7.134 3.987 -7.035 1.00 0.00 C ATOM 956 C GLY A 67 6.926 3.605 -5.584 1.00 0.00 C ATOM 957 O GLY A 67 7.365 4.316 -4.679 1.00 0.00 O ATOM 0 H GLY A 67 8.891 5.051 -6.619 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.445 4.790 -7.298 1.00 0.00 H new ATOM 0 HA3 GLY A 67 6.889 3.136 -7.670 1.00 0.00 H new ATOM 961 N TRP A 68 6.256 2.480 -5.358 1.00 0.00 N ATOM 962 CA TRP A 68 5.990 2.007 -4.005 1.00 0.00 C ATOM 963 C TRP A 68 6.517 0.588 -3.812 1.00 0.00 C ATOM 964 O TRP A 68 6.181 -0.318 -4.574 1.00 0.00 O ATOM 965 CB TRP A 68 4.489 2.051 -3.712 1.00 0.00 C ATOM 966 CG TRP A 68 3.642 1.739 -4.909 1.00 0.00 C ATOM 967 CD1 TRP A 68 3.063 2.638 -5.759 1.00 0.00 C ATOM 968 CD2 TRP A 68 3.277 0.440 -5.387 1.00 0.00 C ATOM 969 NE1 TRP A 68 2.359 1.975 -6.736 1.00 0.00 N ATOM 970 CE2 TRP A 68 2.476 0.626 -6.531 1.00 0.00 C ATOM 971 CE3 TRP A 68 3.551 -0.862 -4.960 1.00 0.00 C ATOM 972 CZ2 TRP A 68 1.947 -0.442 -7.250 1.00 0.00 C ATOM 973 CZ3 TRP A 68 3.025 -1.922 -5.675 1.00 0.00 C ATOM 974 CH2 TRP A 68 2.230 -1.707 -6.810 1.00 0.00 C ATOM 0 H TRP A 68 5.887 1.879 -6.095 1.00 0.00 H new ATOM 0 HA TRP A 68 6.508 2.666 -3.308 1.00 0.00 H new ATOM 0 HB2 TRP A 68 4.260 1.340 -2.918 1.00 0.00 H new ATOM 0 HB3 TRP A 68 4.228 3.041 -3.339 1.00 0.00 H new ATOM 0 HD1 TRP A 68 3.146 3.712 -5.676 1.00 0.00 H new ATOM 0 HE1 TRP A 68 1.834 2.416 -7.491 1.00 0.00 H new ATOM 0 HE3 TRP A 68 4.163 -1.037 -4.087 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 1.335 -0.278 -8.124 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 3.230 -2.933 -5.354 1.00 0.00 H new ATOM 0 HH2 TRP A 68 1.833 -2.556 -7.347 1.00 0.00 H new ATOM 985 N SER A 69 7.344 0.404 -2.788 1.00 0.00 N ATOM 986 CA SER A 69 7.920 -0.903 -2.497 1.00 0.00 C ATOM 987 C SER A 69 7.918 -1.176 -0.995 1.00 0.00 C ATOM 988 O SER A 69 8.621 -0.514 -0.231 1.00 0.00 O ATOM 989 CB SER A 69 9.347 -0.988 -3.040 1.00 0.00 C ATOM 990 OG SER A 69 10.023 -2.122 -2.525 1.00 0.00 O ATOM 0 H SER A 69 7.630 1.143 -2.146 1.00 0.00 H new ATOM 0 HA SER A 69 7.307 -1.659 -2.987 1.00 0.00 H new ATOM 0 HB2 SER A 69 9.323 -1.039 -4.129 1.00 0.00 H new ATOM 0 HB3 SER A 69 9.894 -0.083 -2.775 1.00 0.00 H new ATOM 0 HG SER A 69 10.932 -2.154 -2.889 1.00 0.00 H new ATOM 996 N CYS A 70 7.123 -2.156 -0.579 1.00 0.00 N ATOM 997 CA CYS A 70 7.027 -2.518 0.829 1.00 0.00 C ATOM 998 C CYS A 70 8.320 -3.170 1.313 1.00 0.00 C ATOM 999 O CYS A 70 9.277 -3.315 0.552 1.00 0.00 O ATOM 1000 CB CYS A 70 5.849 -3.468 1.055 1.00 0.00 C ATOM 1001 SG CYS A 70 6.261 -5.229 0.837 1.00 0.00 S ATOM 0 H CYS A 70 6.535 -2.714 -1.198 1.00 0.00 H new ATOM 0 HA CYS A 70 6.864 -1.605 1.402 1.00 0.00 H new ATOM 0 HB2 CYS A 70 5.464 -3.318 2.064 1.00 0.00 H new ATOM 0 HB3 CYS A 70 5.047 -3.205 0.365 1.00 0.00 H new ATOM 1006 N HIS A 71 8.340 -3.562 2.583 1.00 0.00 N ATOM 1007 CA HIS A 71 9.514 -4.200 3.168 1.00 0.00 C ATOM 1008 C HIS A 71 9.658 -5.634 2.670 1.00 0.00 C ATOM 1009 O HIS A 71 10.765 -6.100 2.399 1.00 0.00 O ATOM 1010 CB HIS A 71 9.421 -4.184 4.693 1.00 0.00 C ATOM 1011 CG HIS A 71 9.663 -2.833 5.294 1.00 0.00 C ATOM 1012 ND1 HIS A 71 8.856 -1.743 5.045 1.00 0.00 N ATOM 1013 CD2 HIS A 71 10.627 -2.401 6.141 1.00 0.00 C ATOM 1014 CE1 HIS A 71 9.315 -0.698 5.711 1.00 0.00 C ATOM 1015 NE2 HIS A 71 10.388 -1.071 6.383 1.00 0.00 N ATOM 0 H HIS A 71 7.557 -3.449 3.227 1.00 0.00 H new ATOM 0 HA HIS A 71 10.395 -3.637 2.859 1.00 0.00 H new ATOM 0 HB2 HIS A 71 8.433 -4.534 4.992 1.00 0.00 H new ATOM 0 HB3 HIS A 71 10.146 -4.889 5.100 1.00 0.00 H new ATOM 0 HD2 HIS A 71 11.433 -2.992 6.550 1.00 0.00 H new ATOM 0 HE1 HIS A 71 8.885 0.293 5.706 1.00 0.00 H new ATOM 0 HE2 HIS A 71 10.949 -0.468 6.985 1.00 0.00 H new ATOM 1023 N TYR A 72 8.533 -6.329 2.550 1.00 0.00 N ATOM 1024 CA TYR A 72 8.533 -7.712 2.088 1.00 0.00 C ATOM 1025 C TYR A 72 8.368 -7.780 0.573 1.00 0.00 C ATOM 1026 O TYR A 72 7.685 -8.661 0.049 1.00 0.00 O ATOM 1027 CB TYR A 72 7.415 -8.501 2.770 1.00 0.00 C ATOM 1028 CG TYR A 72 7.267 -8.192 4.242 1.00 0.00 C ATOM 1029 CD1 TYR A 72 6.428 -7.174 4.678 1.00 0.00 C ATOM 1030 CD2 TYR A 72 7.968 -8.917 5.198 1.00 0.00 C ATOM 1031 CE1 TYR A 72 6.290 -6.888 6.022 1.00 0.00 C ATOM 1032 CE2 TYR A 72 7.835 -8.639 6.545 1.00 0.00 C ATOM 1033 CZ TYR A 72 6.995 -7.624 6.953 1.00 0.00 C ATOM 1034 OH TYR A 72 6.861 -7.342 8.292 1.00 0.00 O ATOM 0 H TYR A 72 7.608 -5.957 2.766 1.00 0.00 H new ATOM 0 HA TYR A 72 9.493 -8.156 2.351 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.472 -8.288 2.266 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.608 -9.567 2.649 1.00 0.00 H new ATOM 0 HD1 TYR A 72 5.874 -6.596 3.953 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.628 -9.711 4.883 1.00 0.00 H new ATOM 0 HE1 TYR A 72 5.634 -6.093 6.343 1.00 0.00 H new ATOM 0 HE2 TYR A 72 8.386 -9.214 7.275 1.00 0.00 H new ATOM 0 HH TYR A 72 7.424 -7.952 8.813 1.00 0.00 H new ATOM 1044 N CYS A 73 8.998 -6.843 -0.127 1.00 0.00 N ATOM 1045 CA CYS A 73 8.924 -6.795 -1.582 1.00 0.00 C ATOM 1046 C CYS A 73 10.189 -7.370 -2.212 1.00 0.00 C ATOM 1047 O CYS A 73 11.302 -6.993 -1.850 1.00 0.00 O ATOM 1048 CB CYS A 73 8.717 -5.354 -2.055 1.00 0.00 C ATOM 1049 SG CYS A 73 6.969 -4.885 -2.267 1.00 0.00 S ATOM 0 H CYS A 73 9.566 -6.106 0.290 1.00 0.00 H new ATOM 0 HA CYS A 73 8.075 -7.401 -1.897 1.00 0.00 H new ATOM 0 HB2 CYS A 73 9.179 -4.677 -1.336 1.00 0.00 H new ATOM 0 HB3 CYS A 73 9.237 -5.216 -3.003 1.00 0.00 H new ATOM 1054 N ASP A 74 10.007 -8.287 -3.157 1.00 0.00 N ATOM 1055 CA ASP A 74 11.132 -8.916 -3.838 1.00 0.00 C ATOM 1056 C ASP A 74 10.714 -9.437 -5.210 1.00 0.00 C ATOM 1057 O ASP A 74 9.840 -10.295 -5.318 1.00 0.00 O ATOM 1058 CB ASP A 74 11.693 -10.061 -2.993 1.00 0.00 C ATOM 1059 CG ASP A 74 12.201 -9.590 -1.644 1.00 0.00 C ATOM 1060 OD1 ASP A 74 11.397 -9.544 -0.691 1.00 0.00 O ATOM 1061 OD2 ASP A 74 13.404 -9.267 -1.543 1.00 0.00 O ATOM 0 H ASP A 74 9.091 -8.611 -3.468 1.00 0.00 H new ATOM 0 HA ASP A 74 11.908 -8.163 -3.976 1.00 0.00 H new ATOM 0 HB2 ASP A 74 10.918 -10.812 -2.844 1.00 0.00 H new ATOM 0 HB3 ASP A 74 12.505 -10.545 -3.535 1.00 0.00 H new ATOM 1066 N ASN A 75 11.346 -8.912 -6.254 1.00 0.00 N ATOM 1067 CA ASN A 75 11.039 -9.323 -7.619 1.00 0.00 C ATOM 1068 C ASN A 75 12.102 -10.278 -8.152 1.00 0.00 C ATOM 1069 O ASN A 75 11.784 -11.347 -8.675 1.00 0.00 O ATOM 1070 CB ASN A 75 10.934 -8.099 -8.531 1.00 0.00 C ATOM 1071 CG ASN A 75 9.746 -7.222 -8.189 1.00 0.00 C ATOM 1072 OD1 ASN A 75 9.849 -6.305 -7.373 1.00 0.00 O ATOM 1073 ND2 ASN A 75 8.606 -7.501 -8.811 1.00 0.00 N ATOM 0 H ASN A 75 12.074 -8.201 -6.181 1.00 0.00 H new ATOM 0 HA ASN A 75 10.081 -9.843 -7.608 1.00 0.00 H new ATOM 0 HB2 ASN A 75 11.849 -7.512 -8.453 1.00 0.00 H new ATOM 0 HB3 ASN A 75 10.853 -8.428 -9.567 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.772 -6.946 -8.620 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.565 -8.270 -9.480 1.00 0.00 H new ATOM 1080 N ILE A 76 13.364 -9.886 -8.015 1.00 0.00 N ATOM 1081 CA ILE A 76 14.473 -10.709 -8.481 1.00 0.00 C ATOM 1082 C ILE A 76 15.380 -11.114 -7.324 1.00 0.00 C ATOM 1083 O ILE A 76 15.390 -10.472 -6.275 1.00 0.00 O ATOM 1084 CB ILE A 76 15.313 -9.973 -9.543 1.00 0.00 C ATOM 1085 CG1 ILE A 76 15.840 -8.651 -8.981 1.00 0.00 C ATOM 1086 CG2 ILE A 76 14.485 -9.731 -10.797 1.00 0.00 C ATOM 1087 CD1 ILE A 76 17.077 -8.808 -8.126 1.00 0.00 C ATOM 0 H ILE A 76 13.644 -9.004 -7.585 1.00 0.00 H new ATOM 0 HA ILE A 76 14.037 -11.602 -8.929 1.00 0.00 H new ATOM 0 HB ILE A 76 16.166 -10.598 -9.809 1.00 0.00 H new ATOM 0 HG12 ILE A 76 16.063 -7.977 -9.808 1.00 0.00 H new ATOM 0 HG13 ILE A 76 15.056 -8.179 -8.388 1.00 0.00 H new ATOM 0 HG21 ILE A 76 15.091 -9.210 -11.538 1.00 0.00 H new ATOM 0 HG22 ILE A 76 14.154 -10.686 -11.205 1.00 0.00 H new ATOM 0 HG23 ILE A 76 13.616 -9.123 -10.547 1.00 0.00 H new ATOM 0 HD11 ILE A 76 17.394 -7.831 -7.762 1.00 0.00 H new ATOM 0 HD12 ILE A 76 16.854 -9.456 -7.278 1.00 0.00 H new ATOM 0 HD13 ILE A 76 17.876 -9.251 -8.720 1.00 0.00 H new ATOM 1099 N ASN A 77 16.145 -12.183 -7.526 1.00 0.00 N ATOM 1100 CA ASN A 77 17.058 -12.675 -6.499 1.00 0.00 C ATOM 1101 C ASN A 77 18.366 -11.889 -6.515 1.00 0.00 C ATOM 1102 O ASN A 77 19.140 -11.971 -7.470 1.00 0.00 O ATOM 1103 CB ASN A 77 17.340 -14.163 -6.709 1.00 0.00 C ATOM 1104 CG ASN A 77 16.132 -15.029 -6.408 1.00 0.00 C ATOM 1105 OD1 ASN A 77 15.007 -14.697 -6.784 1.00 0.00 O ATOM 1106 ND2 ASN A 77 16.360 -16.145 -5.726 1.00 0.00 N ATOM 0 H ASN A 77 16.151 -12.725 -8.390 1.00 0.00 H new ATOM 0 HA ASN A 77 16.583 -12.537 -5.528 1.00 0.00 H new ATOM 0 HB2 ASN A 77 17.654 -14.328 -7.739 1.00 0.00 H new ATOM 0 HB3 ASN A 77 18.169 -14.466 -6.070 1.00 0.00 H new ATOM 0 HD21 ASN A 77 15.586 -16.767 -5.493 1.00 0.00 H new ATOM 0 HD22 ASN A 77 17.309 -16.380 -5.435 1.00 0.00 H new ATOM 1113 N LEU A 78 18.607 -11.132 -5.451 1.00 0.00 N ATOM 1114 CA LEU A 78 19.822 -10.332 -5.341 1.00 0.00 C ATOM 1115 C LEU A 78 20.461 -10.498 -3.965 1.00 0.00 C ATOM 1116 O LEU A 78 20.040 -9.869 -2.994 1.00 0.00 O ATOM 1117 CB LEU A 78 19.511 -8.856 -5.597 1.00 0.00 C ATOM 1118 CG LEU A 78 20.697 -7.980 -6.003 1.00 0.00 C ATOM 1119 CD1 LEU A 78 20.220 -6.768 -6.788 1.00 0.00 C ATOM 1120 CD2 LEU A 78 21.485 -7.547 -4.777 1.00 0.00 C ATOM 0 H LEU A 78 17.978 -11.055 -4.652 1.00 0.00 H new ATOM 0 HA LEU A 78 20.528 -10.683 -6.094 1.00 0.00 H new ATOM 0 HB2 LEU A 78 18.755 -8.795 -6.380 1.00 0.00 H new ATOM 0 HB3 LEU A 78 19.068 -8.437 -4.694 1.00 0.00 H new ATOM 0 HG LEU A 78 21.355 -8.567 -6.644 1.00 0.00 H new ATOM 0 HD11 LEU A 78 21.077 -6.156 -7.069 1.00 0.00 H new ATOM 0 HD12 LEU A 78 19.700 -7.098 -7.687 1.00 0.00 H new ATOM 0 HD13 LEU A 78 19.540 -6.180 -6.172 1.00 0.00 H new ATOM 0 HD21 LEU A 78 22.325 -6.925 -5.085 1.00 0.00 H new ATOM 0 HD22 LEU A 78 20.837 -6.978 -4.110 1.00 0.00 H new ATOM 0 HD23 LEU A 78 21.859 -8.428 -4.255 1.00 0.00 H new ATOM 1132 N LEU A 79 21.479 -11.348 -3.891 1.00 0.00 N ATOM 1133 CA LEU A 79 22.179 -11.596 -2.635 1.00 0.00 C ATOM 1134 C LEU A 79 22.827 -10.317 -2.112 1.00 0.00 C ATOM 1135 O LEU A 79 23.765 -9.792 -2.714 1.00 0.00 O ATOM 1136 CB LEU A 79 23.241 -12.679 -2.824 1.00 0.00 C ATOM 1137 CG LEU A 79 23.645 -13.450 -1.567 1.00 0.00 C ATOM 1138 CD1 LEU A 79 24.043 -12.490 -0.457 1.00 0.00 C ATOM 1139 CD2 LEU A 79 22.512 -14.357 -1.111 1.00 0.00 C ATOM 0 H LEU A 79 21.838 -11.877 -4.686 1.00 0.00 H new ATOM 0 HA LEU A 79 21.448 -11.938 -1.902 1.00 0.00 H new ATOM 0 HB2 LEU A 79 22.876 -13.393 -3.562 1.00 0.00 H new ATOM 0 HB3 LEU A 79 24.134 -12.215 -3.244 1.00 0.00 H new ATOM 0 HG LEU A 79 24.507 -14.072 -1.807 1.00 0.00 H new ATOM 0 HD11 LEU A 79 24.327 -13.057 0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 79 24.887 -11.883 -0.786 1.00 0.00 H new ATOM 0 HD13 LEU A 79 23.201 -11.841 -0.218 1.00 0.00 H new ATOM 0 HD21 LEU A 79 22.817 -14.898 -0.215 1.00 0.00 H new ATOM 0 HD22 LEU A 79 21.631 -13.755 -0.889 1.00 0.00 H new ATOM 0 HD23 LEU A 79 22.275 -15.069 -1.902 1.00 0.00 H new ATOM 1151 N LEU A 80 22.324 -9.822 -0.986 1.00 0.00 N ATOM 1152 CA LEU A 80 22.855 -8.607 -0.380 1.00 0.00 C ATOM 1153 C LEU A 80 23.820 -8.941 0.753 1.00 0.00 C ATOM 1154 O LEU A 80 23.707 -9.989 1.392 1.00 0.00 O ATOM 1155 CB LEU A 80 21.714 -7.735 0.147 1.00 0.00 C ATOM 1156 CG LEU A 80 21.828 -6.237 -0.138 1.00 0.00 C ATOM 1157 CD1 LEU A 80 20.449 -5.621 -0.312 1.00 0.00 C ATOM 1158 CD2 LEU A 80 22.589 -5.538 0.980 1.00 0.00 C ATOM 0 H LEU A 80 21.549 -10.244 -0.475 1.00 0.00 H new ATOM 0 HA LEU A 80 23.400 -8.056 -1.147 1.00 0.00 H new ATOM 0 HB2 LEU A 80 20.779 -8.096 -0.282 1.00 0.00 H new ATOM 0 HB3 LEU A 80 21.645 -7.875 1.226 1.00 0.00 H new ATOM 0 HG LEU A 80 22.383 -6.104 -1.067 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.550 -4.555 -0.514 1.00 0.00 H new ATOM 0 HD12 LEU A 80 19.938 -6.102 -1.146 1.00 0.00 H new ATOM 0 HD13 LEU A 80 19.869 -5.764 0.600 1.00 0.00 H new ATOM 0 HD21 LEU A 80 22.661 -4.473 0.761 1.00 0.00 H new ATOM 0 HD22 LEU A 80 22.061 -5.680 1.923 1.00 0.00 H new ATOM 0 HD23 LEU A 80 23.591 -5.961 1.058 1.00 0.00 H new ATOM 1170 N THR A 81 24.768 -8.042 1.002 1.00 0.00 N ATOM 1171 CA THR A 81 25.751 -8.241 2.059 1.00 0.00 C ATOM 1172 C THR A 81 25.081 -8.319 3.426 1.00 0.00 C ATOM 1173 O THR A 81 25.552 -9.025 4.317 1.00 0.00 O ATOM 1174 CB THR A 81 26.794 -7.108 2.076 1.00 0.00 C ATOM 1175 OG1 THR A 81 27.828 -7.407 3.020 1.00 0.00 O ATOM 1176 CG2 THR A 81 26.144 -5.779 2.434 1.00 0.00 C ATOM 0 H THR A 81 24.875 -7.169 0.485 1.00 0.00 H new ATOM 0 HA THR A 81 26.253 -9.185 1.849 1.00 0.00 H new ATOM 0 HB THR A 81 27.225 -7.027 1.078 1.00 0.00 H new ATOM 0 HG1 THR A 81 28.488 -6.682 3.023 1.00 0.00 H new ATOM 0 HG21 THR A 81 26.900 -4.994 2.440 1.00 0.00 H new ATOM 0 HG22 THR A 81 25.377 -5.539 1.697 1.00 0.00 H new ATOM 0 HG23 THR A 81 25.688 -5.851 3.422 1.00 0.00 H new ATOM 1184 N GLU A 82 23.981 -7.592 3.583 1.00 0.00 N ATOM 1185 CA GLU A 82 23.245 -7.580 4.843 1.00 0.00 C ATOM 1186 C GLU A 82 24.189 -7.785 6.025 1.00 0.00 C ATOM 1187 O GLU A 82 23.884 -8.534 6.952 1.00 0.00 O ATOM 1188 CB GLU A 82 22.170 -8.668 4.841 1.00 0.00 C ATOM 1189 CG GLU A 82 22.713 -10.062 4.575 1.00 0.00 C ATOM 1190 CD GLU A 82 23.241 -10.732 5.828 1.00 0.00 C ATOM 1191 OE1 GLU A 82 22.615 -10.567 6.897 1.00 0.00 O ATOM 1192 OE2 GLU A 82 24.279 -11.421 5.742 1.00 0.00 O ATOM 0 H GLU A 82 23.579 -7.003 2.854 1.00 0.00 H new ATOM 0 HA GLU A 82 22.766 -6.606 4.946 1.00 0.00 H new ATOM 0 HB2 GLU A 82 21.660 -8.664 5.804 1.00 0.00 H new ATOM 0 HB3 GLU A 82 21.424 -8.428 4.084 1.00 0.00 H new ATOM 0 HG2 GLU A 82 21.925 -10.678 4.143 1.00 0.00 H new ATOM 0 HG3 GLU A 82 23.512 -10.002 3.836 1.00 0.00 H new ATOM 1199 N GLU A 83 25.337 -7.115 5.981 1.00 0.00 N ATOM 1200 CA GLU A 83 26.325 -7.224 7.047 1.00 0.00 C ATOM 1201 C GLU A 83 25.992 -6.279 8.198 1.00 0.00 C ATOM 1202 O GLU A 83 26.865 -5.585 8.718 1.00 0.00 O ATOM 1203 CB GLU A 83 27.725 -6.917 6.509 1.00 0.00 C ATOM 1204 CG GLU A 83 28.843 -7.516 7.344 1.00 0.00 C ATOM 1205 CD GLU A 83 29.223 -6.642 8.523 1.00 0.00 C ATOM 1206 OE1 GLU A 83 29.249 -5.404 8.361 1.00 0.00 O ATOM 1207 OE2 GLU A 83 29.495 -7.196 9.610 1.00 0.00 O ATOM 0 H GLU A 83 25.605 -6.492 5.219 1.00 0.00 H new ATOM 0 HA GLU A 83 26.304 -8.247 7.423 1.00 0.00 H new ATOM 0 HB2 GLU A 83 27.803 -7.293 5.489 1.00 0.00 H new ATOM 0 HB3 GLU A 83 27.858 -5.836 6.461 1.00 0.00 H new ATOM 0 HG2 GLU A 83 28.535 -8.496 7.708 1.00 0.00 H new ATOM 0 HG3 GLU A 83 29.719 -7.671 6.714 1.00 0.00 H new ATOM 1214 N SER A 84 24.721 -6.258 8.590 1.00 0.00 N ATOM 1215 CA SER A 84 24.271 -5.395 9.675 1.00 0.00 C ATOM 1216 C SER A 84 24.711 -5.948 11.028 1.00 0.00 C ATOM 1217 O SER A 84 24.992 -5.194 11.957 1.00 0.00 O ATOM 1218 CB SER A 84 22.748 -5.251 9.642 1.00 0.00 C ATOM 1219 OG SER A 84 22.119 -6.517 9.548 1.00 0.00 O ATOM 0 H SER A 84 23.986 -6.829 8.172 1.00 0.00 H new ATOM 0 HA SER A 84 24.725 -4.414 9.538 1.00 0.00 H new ATOM 0 HB2 SER A 84 22.408 -4.738 10.542 1.00 0.00 H new ATOM 0 HB3 SER A 84 22.456 -4.632 8.793 1.00 0.00 H new ATOM 0 HG SER A 84 21.146 -6.399 9.530 1.00 0.00 H new ATOM 1225 N GLY A 85 24.768 -7.273 11.127 1.00 0.00 N ATOM 1226 CA GLY A 85 25.174 -7.907 12.368 1.00 0.00 C ATOM 1227 C GLY A 85 24.671 -9.331 12.484 1.00 0.00 C ATOM 1228 O GLY A 85 23.696 -9.614 13.181 1.00 0.00 O ATOM 0 H GLY A 85 24.540 -7.918 10.370 1.00 0.00 H new ATOM 0 HA2 GLY A 85 26.262 -7.903 12.435 1.00 0.00 H new ATOM 0 HA3 GLY A 85 24.800 -7.324 13.209 1.00 0.00 H new ATOM 1232 N PRO A 86 25.343 -10.259 11.787 1.00 0.00 N ATOM 1233 CA PRO A 86 24.976 -11.679 11.797 1.00 0.00 C ATOM 1234 C PRO A 86 25.260 -12.342 13.140 1.00 0.00 C ATOM 1235 O PRO A 86 25.802 -11.714 14.050 1.00 0.00 O ATOM 1236 CB PRO A 86 25.862 -12.282 10.704 1.00 0.00 C ATOM 1237 CG PRO A 86 27.036 -11.369 10.621 1.00 0.00 C ATOM 1238 CD PRO A 86 26.515 -9.994 10.934 1.00 0.00 C ATOM 0 HA PRO A 86 23.909 -11.825 11.629 1.00 0.00 H new ATOM 0 HB2 PRO A 86 26.167 -13.297 10.957 1.00 0.00 H new ATOM 0 HB3 PRO A 86 25.334 -12.336 9.752 1.00 0.00 H new ATOM 0 HG2 PRO A 86 27.810 -11.664 11.330 1.00 0.00 H new ATOM 0 HG3 PRO A 86 27.485 -11.400 9.628 1.00 0.00 H new ATOM 0 HD2 PRO A 86 27.260 -9.390 11.452 1.00 0.00 H new ATOM 0 HD3 PRO A 86 26.239 -9.453 10.029 1.00 0.00 H new ATOM 1246 N SER A 87 24.894 -13.613 13.257 1.00 0.00 N ATOM 1247 CA SER A 87 25.107 -14.360 14.490 1.00 0.00 C ATOM 1248 C SER A 87 25.271 -15.850 14.202 1.00 0.00 C ATOM 1249 O SER A 87 25.140 -16.291 13.060 1.00 0.00 O ATOM 1250 CB SER A 87 23.938 -14.141 15.453 1.00 0.00 C ATOM 1251 OG SER A 87 24.149 -12.993 16.258 1.00 0.00 O ATOM 0 H SER A 87 24.448 -14.148 12.512 1.00 0.00 H new ATOM 0 HA SER A 87 26.023 -13.994 14.953 1.00 0.00 H new ATOM 0 HB2 SER A 87 23.013 -14.028 14.887 1.00 0.00 H new ATOM 0 HB3 SER A 87 23.817 -15.018 16.089 1.00 0.00 H new ATOM 0 HG SER A 87 24.687 -12.340 15.763 1.00 0.00 H new ATOM 1257 N SER A 88 25.556 -16.620 15.248 1.00 0.00 N ATOM 1258 CA SER A 88 25.741 -18.060 15.107 1.00 0.00 C ATOM 1259 C SER A 88 24.802 -18.628 14.048 1.00 0.00 C ATOM 1260 O SER A 88 23.583 -18.497 14.149 1.00 0.00 O ATOM 1261 CB SER A 88 25.500 -18.759 16.447 1.00 0.00 C ATOM 1262 OG SER A 88 24.234 -18.415 16.982 1.00 0.00 O ATOM 0 H SER A 88 25.664 -16.271 16.201 1.00 0.00 H new ATOM 0 HA SER A 88 26.768 -18.240 14.790 1.00 0.00 H new ATOM 0 HB2 SER A 88 25.560 -19.839 16.313 1.00 0.00 H new ATOM 0 HB3 SER A 88 26.284 -18.481 17.152 1.00 0.00 H new ATOM 0 HG SER A 88 23.593 -18.289 16.251 1.00 0.00 H new ATOM 1268 N GLY A 89 25.379 -19.260 13.032 1.00 0.00 N ATOM 1269 CA GLY A 89 24.581 -19.840 11.968 1.00 0.00 C ATOM 1270 C GLY A 89 25.427 -20.352 10.820 1.00 0.00 C ATOM 1271 O GLY A 89 26.037 -21.412 10.951 1.00 0.00 O ATOM 0 H GLY A 89 26.386 -19.381 12.926 1.00 0.00 H new ATOM 0 HA2 GLY A 89 23.986 -20.660 12.370 1.00 0.00 H new ATOM 0 HA3 GLY A 89 23.882 -19.092 11.594 1.00 0.00 H new TER 1275 GLY A 89 HETATM 1276 ZN ZN A 201 -4.464 2.823 7.595 1.00 0.00 ZN HETATM 1277 ZN ZN A 401 5.446 -6.209 -1.109 1.00 0.00 ZN