USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 498 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 1 MET N :NH3+ 150:sc= -0.303 (180deg=-0.0798) USER MOD Set 1.2: A 22 THR OG1 : rot -143:sc= -0.961 USER MOD Single : A 1 MET CE :methyl -169:sc= -0.752 (180deg=-1.06) USER MOD Single : A 2 ASN : amide:sc= -0.0606 X(o=-0.061,f=-0.003) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -71:sc= 0.41 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 43:sc= 0.0111 USER MOD Single : A 35 HIS : no HD1:sc= -0.0366 X(o=-0.037,f=-0.17) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.132 X(o=-0.13,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.575 7.288 -4.704 1.00 0.00 N ATOM 2 CA MET A 1 4.480 6.127 -4.932 1.00 0.00 C ATOM 3 C MET A 1 3.982 4.878 -4.206 1.00 0.00 C ATOM 4 O MET A 1 2.990 4.924 -3.478 1.00 0.00 O ATOM 5 CB MET A 1 5.890 6.499 -4.450 1.00 0.00 C ATOM 6 CG MET A 1 5.960 6.875 -2.978 1.00 0.00 C ATOM 7 SD MET A 1 5.980 8.659 -2.715 1.00 0.00 S ATOM 8 CE MET A 1 7.681 8.908 -2.214 1.00 0.00 C ATOM 0 H1 MET A 1 4.125 8.170 -4.740 1.00 0.00 H new ATOM 0 H2 MET A 1 2.842 7.307 -5.442 1.00 0.00 H new ATOM 0 H3 MET A 1 3.125 7.199 -3.771 1.00 0.00 H new ATOM 0 HA MET A 1 4.497 5.896 -5.997 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.559 5.658 -4.632 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.258 7.334 -5.046 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.105 6.445 -2.456 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.856 6.437 -2.538 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.802 9.921 -1.829 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.940 8.190 -1.435 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.338 8.765 -3.072 1.00 0.00 H new ATOM 20 N ASN A 2 4.680 3.761 -4.411 1.00 0.00 N ATOM 21 CA ASN A 2 4.313 2.499 -3.776 1.00 0.00 C ATOM 22 C ASN A 2 4.942 2.390 -2.390 1.00 0.00 C ATOM 23 O ASN A 2 6.117 2.716 -2.203 1.00 0.00 O ATOM 24 CB ASN A 2 4.747 1.313 -4.641 1.00 0.00 C ATOM 25 CG ASN A 2 3.772 1.036 -5.771 1.00 0.00 C ATOM 26 OD1 ASN A 2 3.602 1.857 -6.673 1.00 0.00 O ATOM 27 ND2 ASN A 2 3.126 -0.124 -5.730 1.00 0.00 N ATOM 0 H ASN A 2 5.502 3.706 -5.012 1.00 0.00 H new ATOM 0 HA ASN A 2 3.228 2.478 -3.671 1.00 0.00 H new ATOM 0 HB2 ASN A 2 5.735 1.512 -5.057 1.00 0.00 H new ATOM 0 HB3 ASN A 2 4.837 0.424 -4.016 1.00 0.00 H new ATOM 0 HD21 ASN A 2 2.459 -0.363 -6.464 1.00 0.00 H new ATOM 0 HD22 ASN A 2 3.297 -0.776 -4.964 1.00 0.00 H new ATOM 34 N VAL A 3 4.152 1.931 -1.423 1.00 0.00 N ATOM 35 CA VAL A 3 4.625 1.779 -0.050 1.00 0.00 C ATOM 36 C VAL A 3 4.937 0.319 0.268 1.00 0.00 C ATOM 37 O VAL A 3 4.208 -0.586 -0.146 1.00 0.00 O ATOM 38 CB VAL A 3 3.608 2.326 0.975 1.00 0.00 C ATOM 39 CG1 VAL A 3 3.333 3.801 0.724 1.00 0.00 C ATOM 40 CG2 VAL A 3 2.315 1.520 0.951 1.00 0.00 C ATOM 0 H VAL A 3 3.180 1.657 -1.565 1.00 0.00 H new ATOM 0 HA VAL A 3 5.541 2.365 0.030 1.00 0.00 H new ATOM 0 HB VAL A 3 4.044 2.224 1.969 1.00 0.00 H new ATOM 0 HG11 VAL A 3 2.614 4.167 1.457 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.262 4.365 0.814 1.00 0.00 H new ATOM 0 HG13 VAL A 3 2.926 3.930 -0.279 1.00 0.00 H new ATOM 0 HG21 VAL A 3 1.618 1.928 1.683 1.00 0.00 H new ATOM 0 HG22 VAL A 3 1.871 1.575 -0.043 1.00 0.00 H new ATOM 0 HG23 VAL A 3 2.530 0.480 1.196 1.00 0.00 H new ATOM 50 N THR A 4 6.027 0.096 1.002 1.00 0.00 N ATOM 51 CA THR A 4 6.434 -1.256 1.370 1.00 0.00 C ATOM 52 C THR A 4 5.537 -1.795 2.478 1.00 0.00 C ATOM 53 O THR A 4 5.543 -1.286 3.603 1.00 0.00 O ATOM 54 CB THR A 4 7.901 -1.278 1.810 1.00 0.00 C ATOM 55 OG1 THR A 4 8.721 -0.628 0.854 1.00 0.00 O ATOM 56 CG2 THR A 4 8.451 -2.675 2.004 1.00 0.00 C ATOM 0 H THR A 4 6.641 0.832 1.351 1.00 0.00 H new ATOM 0 HA THR A 4 6.330 -1.897 0.495 1.00 0.00 H new ATOM 0 HB THR A 4 7.919 -0.760 2.769 1.00 0.00 H new ATOM 0 HG1 THR A 4 9.654 -0.651 1.154 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.494 -2.615 2.315 1.00 0.00 H new ATOM 0 HG22 THR A 4 7.872 -3.191 2.771 1.00 0.00 H new ATOM 0 HG23 THR A 4 8.383 -3.226 1.066 1.00 0.00 H new ATOM 64 N VAL A 5 4.758 -2.820 2.144 1.00 0.00 N ATOM 65 CA VAL A 5 3.839 -3.428 3.096 1.00 0.00 C ATOM 66 C VAL A 5 4.250 -4.859 3.437 1.00 0.00 C ATOM 67 O VAL A 5 4.578 -5.652 2.551 1.00 0.00 O ATOM 68 CB VAL A 5 2.392 -3.429 2.555 1.00 0.00 C ATOM 69 CG1 VAL A 5 1.923 -2.006 2.277 1.00 0.00 C ATOM 70 CG2 VAL A 5 2.279 -4.290 1.302 1.00 0.00 C ATOM 0 H VAL A 5 4.746 -3.247 1.218 1.00 0.00 H new ATOM 0 HA VAL A 5 3.881 -2.824 4.002 1.00 0.00 H new ATOM 0 HB VAL A 5 1.745 -3.860 3.318 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.902 -2.027 1.897 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.955 -1.426 3.199 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.577 -1.546 1.536 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.251 -4.274 0.941 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.941 -3.897 0.530 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.565 -5.315 1.538 1.00 0.00 H new ATOM 80 N GLU A 6 4.217 -5.183 4.727 1.00 0.00 N ATOM 81 CA GLU A 6 4.573 -6.519 5.190 1.00 0.00 C ATOM 82 C GLU A 6 3.361 -7.444 5.118 1.00 0.00 C ATOM 83 O GLU A 6 2.369 -7.240 5.822 1.00 0.00 O ATOM 84 CB GLU A 6 5.110 -6.468 6.624 1.00 0.00 C ATOM 85 CG GLU A 6 5.587 -7.817 7.147 1.00 0.00 C ATOM 86 CD GLU A 6 7.092 -7.998 7.046 1.00 0.00 C ATOM 87 OE1 GLU A 6 7.655 -7.737 5.960 1.00 0.00 O ATOM 88 OE2 GLU A 6 7.707 -8.408 8.053 1.00 0.00 O ATOM 0 H GLU A 6 3.947 -4.538 5.469 1.00 0.00 H new ATOM 0 HA GLU A 6 5.356 -6.910 4.540 1.00 0.00 H new ATOM 0 HB2 GLU A 6 5.936 -5.758 6.668 1.00 0.00 H new ATOM 0 HB3 GLU A 6 4.328 -6.089 7.282 1.00 0.00 H new ATOM 0 HG2 GLU A 6 5.283 -7.924 8.188 1.00 0.00 H new ATOM 0 HG3 GLU A 6 5.093 -8.612 6.588 1.00 0.00 H new ATOM 95 N VAL A 7 3.449 -8.460 4.262 1.00 0.00 N ATOM 96 CA VAL A 7 2.363 -9.419 4.096 1.00 0.00 C ATOM 97 C VAL A 7 2.458 -10.534 5.134 1.00 0.00 C ATOM 98 O VAL A 7 3.523 -11.108 5.346 1.00 0.00 O ATOM 99 CB VAL A 7 2.344 -10.033 2.675 1.00 0.00 C ATOM 100 CG1 VAL A 7 1.875 -9.006 1.657 1.00 0.00 C ATOM 101 CG2 VAL A 7 3.713 -10.579 2.290 1.00 0.00 C ATOM 0 H VAL A 7 4.262 -8.639 3.673 1.00 0.00 H new ATOM 0 HA VAL A 7 1.433 -8.869 4.241 1.00 0.00 H new ATOM 0 HB VAL A 7 1.641 -10.866 2.680 1.00 0.00 H new ATOM 0 HG11 VAL A 7 1.868 -9.455 0.664 1.00 0.00 H new ATOM 0 HG12 VAL A 7 0.869 -8.674 1.912 1.00 0.00 H new ATOM 0 HG13 VAL A 7 2.552 -8.152 1.664 1.00 0.00 H new ATOM 0 HG21 VAL A 7 3.667 -11.003 1.287 1.00 0.00 H new ATOM 0 HG22 VAL A 7 4.445 -9.772 2.309 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.008 -11.353 2.998 1.00 0.00 H new ATOM 111 N VAL A 8 1.335 -10.826 5.784 1.00 0.00 N ATOM 112 CA VAL A 8 1.285 -11.869 6.810 1.00 0.00 C ATOM 113 C VAL A 8 1.739 -13.219 6.251 1.00 0.00 C ATOM 114 O VAL A 8 1.193 -13.706 5.258 1.00 0.00 O ATOM 115 CB VAL A 8 -0.134 -12.014 7.397 1.00 0.00 C ATOM 116 CG1 VAL A 8 -0.141 -13.011 8.548 1.00 0.00 C ATOM 117 CG2 VAL A 8 -0.669 -10.660 7.850 1.00 0.00 C ATOM 0 H VAL A 8 0.445 -10.356 5.620 1.00 0.00 H new ATOM 0 HA VAL A 8 1.967 -11.564 7.604 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.791 -12.395 6.615 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.151 -13.098 8.948 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.192 -13.984 8.188 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.531 -12.665 9.333 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.671 -10.784 8.261 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.012 -10.246 8.615 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.707 -9.981 6.999 1.00 0.00 H new ATOM 127 N GLY A 9 2.752 -13.811 6.891 1.00 0.00 N ATOM 128 CA GLY A 9 3.276 -15.095 6.447 1.00 0.00 C ATOM 129 C GLY A 9 4.382 -14.942 5.418 1.00 0.00 C ATOM 130 O GLY A 9 5.491 -15.444 5.606 1.00 0.00 O ATOM 0 H GLY A 9 3.218 -13.422 7.710 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.657 -15.646 7.307 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.466 -15.688 6.021 1.00 0.00 H new ATOM 134 N GLU A 10 4.071 -14.239 4.333 1.00 0.00 N ATOM 135 CA GLU A 10 5.026 -13.998 3.253 1.00 0.00 C ATOM 136 C GLU A 10 6.010 -12.887 3.624 1.00 0.00 C ATOM 137 O GLU A 10 5.783 -12.137 4.574 1.00 0.00 O ATOM 138 CB GLU A 10 4.286 -13.642 1.960 1.00 0.00 C ATOM 139 CG GLU A 10 4.104 -14.822 1.013 1.00 0.00 C ATOM 140 CD GLU A 10 5.273 -15.018 0.062 1.00 0.00 C ATOM 141 OE1 GLU A 10 6.420 -14.698 0.445 1.00 0.00 O ATOM 142 OE2 GLU A 10 5.039 -15.497 -1.068 1.00 0.00 O ATOM 0 H GLU A 10 3.154 -13.821 4.177 1.00 0.00 H new ATOM 0 HA GLU A 10 5.595 -14.914 3.095 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.307 -13.236 2.213 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.834 -12.854 1.443 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.966 -15.731 1.599 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.193 -14.675 0.432 1.00 0.00 H new ATOM 149 N GLU A 11 7.110 -12.797 2.870 1.00 0.00 N ATOM 150 CA GLU A 11 8.141 -11.781 3.111 1.00 0.00 C ATOM 151 C GLU A 11 7.573 -10.363 2.909 1.00 0.00 C ATOM 152 O GLU A 11 6.384 -10.129 3.120 1.00 0.00 O ATOM 153 CB GLU A 11 9.344 -12.019 2.184 1.00 0.00 C ATOM 154 CG GLU A 11 9.818 -13.468 2.134 1.00 0.00 C ATOM 155 CD GLU A 11 11.227 -13.645 2.673 1.00 0.00 C ATOM 156 OE1 GLU A 11 11.386 -13.721 3.909 1.00 0.00 O ATOM 157 OE2 GLU A 11 12.170 -13.707 1.857 1.00 0.00 O ATOM 0 H GLU A 11 7.310 -13.417 2.085 1.00 0.00 H new ATOM 0 HA GLU A 11 8.473 -11.865 4.146 1.00 0.00 H new ATOM 0 HB2 GLU A 11 9.080 -11.700 1.176 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.171 -11.389 2.512 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.133 -14.090 2.710 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.781 -13.822 1.104 1.00 0.00 H new ATOM 164 N THR A 12 8.420 -9.413 2.505 1.00 0.00 N ATOM 165 CA THR A 12 7.968 -8.037 2.295 1.00 0.00 C ATOM 166 C THR A 12 7.720 -7.771 0.812 1.00 0.00 C ATOM 167 O THR A 12 8.560 -8.082 -0.036 1.00 0.00 O ATOM 168 CB THR A 12 8.995 -7.037 2.846 1.00 0.00 C ATOM 169 OG1 THR A 12 9.787 -7.627 3.865 1.00 0.00 O ATOM 170 CG2 THR A 12 8.362 -5.790 3.428 1.00 0.00 C ATOM 0 H THR A 12 9.411 -9.569 2.319 1.00 0.00 H new ATOM 0 HA THR A 12 7.030 -7.905 2.834 1.00 0.00 H new ATOM 0 HB THR A 12 9.605 -6.756 1.988 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.240 -7.764 4.666 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.142 -5.125 3.800 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.788 -5.279 2.655 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.700 -6.067 4.249 1.00 0.00 H new ATOM 178 N SER A 13 6.551 -7.203 0.507 1.00 0.00 N ATOM 179 CA SER A 13 6.173 -6.903 -0.874 1.00 0.00 C ATOM 180 C SER A 13 5.799 -5.432 -1.040 1.00 0.00 C ATOM 181 O SER A 13 5.524 -4.732 -0.061 1.00 0.00 O ATOM 182 CB SER A 13 5.001 -7.791 -1.317 1.00 0.00 C ATOM 183 OG SER A 13 5.120 -9.107 -0.798 1.00 0.00 O ATOM 0 H SER A 13 5.849 -6.942 1.200 1.00 0.00 H new ATOM 0 HA SER A 13 7.038 -7.111 -1.505 1.00 0.00 H new ATOM 0 HB2 SER A 13 4.062 -7.350 -0.982 1.00 0.00 H new ATOM 0 HB3 SER A 13 4.964 -7.830 -2.406 1.00 0.00 H new ATOM 0 HG SER A 13 4.358 -9.646 -1.096 1.00 0.00 H new ATOM 189 N GLU A 14 5.788 -4.971 -2.290 1.00 0.00 N ATOM 190 CA GLU A 14 5.445 -3.588 -2.600 1.00 0.00 C ATOM 191 C GLU A 14 4.047 -3.507 -3.200 1.00 0.00 C ATOM 192 O GLU A 14 3.760 -4.136 -4.221 1.00 0.00 O ATOM 193 CB GLU A 14 6.470 -2.986 -3.564 1.00 0.00 C ATOM 194 CG GLU A 14 7.893 -2.995 -3.025 1.00 0.00 C ATOM 195 CD GLU A 14 8.940 -2.973 -4.124 1.00 0.00 C ATOM 196 OE1 GLU A 14 8.884 -2.067 -4.983 1.00 0.00 O ATOM 197 OE2 GLU A 14 9.817 -3.862 -4.124 1.00 0.00 O ATOM 0 H GLU A 14 6.014 -5.540 -3.106 1.00 0.00 H new ATOM 0 HA GLU A 14 5.460 -3.015 -1.673 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.443 -3.540 -4.502 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.183 -1.959 -3.791 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.036 -2.131 -2.376 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.038 -3.883 -2.410 1.00 0.00 H new ATOM 204 N VAL A 15 3.178 -2.737 -2.551 1.00 0.00 N ATOM 205 CA VAL A 15 1.802 -2.577 -3.005 1.00 0.00 C ATOM 206 C VAL A 15 1.442 -1.097 -3.144 1.00 0.00 C ATOM 207 O VAL A 15 1.986 -0.246 -2.435 1.00 0.00 O ATOM 208 CB VAL A 15 0.822 -3.274 -2.032 1.00 0.00 C ATOM 209 CG1 VAL A 15 -0.629 -2.984 -2.395 1.00 0.00 C ATOM 210 CG2 VAL A 15 1.075 -4.775 -2.007 1.00 0.00 C ATOM 0 H VAL A 15 3.405 -2.213 -1.706 1.00 0.00 H new ATOM 0 HA VAL A 15 1.715 -3.047 -3.985 1.00 0.00 H new ATOM 0 HB VAL A 15 1.001 -2.870 -1.036 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.289 -3.490 -1.690 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.807 -1.910 -2.352 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.831 -3.345 -3.404 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.377 -5.250 -1.318 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.933 -5.185 -3.007 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.097 -4.966 -1.678 1.00 0.00 H new ATOM 220 N ALA A 16 0.524 -0.796 -4.064 1.00 0.00 N ATOM 221 CA ALA A 16 0.094 0.578 -4.297 1.00 0.00 C ATOM 222 C ALA A 16 -1.002 0.977 -3.316 1.00 0.00 C ATOM 223 O ALA A 16 -1.918 0.198 -3.045 1.00 0.00 O ATOM 224 CB ALA A 16 -0.390 0.749 -5.730 1.00 0.00 C ATOM 0 H ALA A 16 0.066 -1.487 -4.658 1.00 0.00 H new ATOM 0 HA ALA A 16 0.950 1.233 -4.138 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.707 1.780 -5.886 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.420 0.510 -6.419 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.230 0.079 -5.913 1.00 0.00 H new ATOM 230 N VAL A 17 -0.897 2.191 -2.781 1.00 0.00 N ATOM 231 CA VAL A 17 -1.878 2.692 -1.815 1.00 0.00 C ATOM 232 C VAL A 17 -2.645 3.907 -2.343 1.00 0.00 C ATOM 233 O VAL A 17 -2.148 4.657 -3.187 1.00 0.00 O ATOM 234 CB VAL A 17 -1.215 3.064 -0.471 1.00 0.00 C ATOM 235 CG1 VAL A 17 -0.807 1.810 0.287 1.00 0.00 C ATOM 236 CG2 VAL A 17 -0.017 3.984 -0.685 1.00 0.00 C ATOM 0 H VAL A 17 -0.146 2.846 -2.998 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.583 1.876 -1.657 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.946 3.606 0.129 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.341 2.091 1.232 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.689 1.201 0.484 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.098 1.238 -0.311 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.430 4.229 0.278 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.721 3.481 -1.310 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -0.345 4.900 -1.177 1.00 0.00 H new ATOM 246 N ASP A 18 -3.862 4.087 -1.825 1.00 0.00 N ATOM 247 CA ASP A 18 -4.730 5.200 -2.213 1.00 0.00 C ATOM 248 C ASP A 18 -4.431 6.437 -1.367 1.00 0.00 C ATOM 249 O ASP A 18 -4.301 7.545 -1.890 1.00 0.00 O ATOM 250 CB ASP A 18 -6.202 4.792 -2.035 1.00 0.00 C ATOM 251 CG ASP A 18 -7.184 5.827 -2.557 1.00 0.00 C ATOM 252 OD1 ASP A 18 -7.251 6.933 -1.982 1.00 0.00 O ATOM 253 OD2 ASP A 18 -7.899 5.521 -3.532 1.00 0.00 O ATOM 0 H ASP A 18 -4.272 3.467 -1.127 1.00 0.00 H new ATOM 0 HA ASP A 18 -4.541 5.442 -3.259 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -6.374 3.847 -2.550 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.397 4.618 -0.977 1.00 0.00 H new ATOM 258 N ASP A 19 -4.332 6.230 -0.054 1.00 0.00 N ATOM 259 CA ASP A 19 -4.060 7.311 0.897 1.00 0.00 C ATOM 260 C ASP A 19 -2.783 8.096 0.563 1.00 0.00 C ATOM 261 O ASP A 19 -2.633 9.241 0.993 1.00 0.00 O ATOM 262 CB ASP A 19 -3.962 6.740 2.312 1.00 0.00 C ATOM 263 CG ASP A 19 -4.570 7.665 3.345 1.00 0.00 C ATOM 264 OD1 ASP A 19 -3.877 8.609 3.776 1.00 0.00 O ATOM 265 OD2 ASP A 19 -5.740 7.447 3.721 1.00 0.00 O ATOM 0 H ASP A 19 -4.437 5.313 0.380 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.891 8.013 0.828 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.468 5.775 2.348 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.915 6.561 2.558 1.00 0.00 H new ATOM 270 N ASP A 20 -1.868 7.480 -0.190 1.00 0.00 N ATOM 271 CA ASP A 20 -0.605 8.124 -0.565 1.00 0.00 C ATOM 272 C ASP A 20 -0.816 9.545 -1.099 1.00 0.00 C ATOM 273 O ASP A 20 -0.096 10.467 -0.713 1.00 0.00 O ATOM 274 CB ASP A 20 0.136 7.279 -1.605 1.00 0.00 C ATOM 275 CG ASP A 20 1.566 6.987 -1.191 1.00 0.00 C ATOM 276 OD1 ASP A 20 1.764 6.403 -0.107 1.00 0.00 O ATOM 277 OD2 ASP A 20 2.489 7.340 -1.949 1.00 0.00 O ATOM 0 H ASP A 20 -1.978 6.533 -0.553 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.001 8.199 0.340 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.397 6.340 -1.754 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.136 7.801 -2.562 1.00 0.00 H new ATOM 282 N GLY A 21 -1.797 9.720 -1.991 1.00 0.00 N ATOM 283 CA GLY A 21 -2.059 11.042 -2.547 1.00 0.00 C ATOM 284 C GLY A 21 -1.262 11.344 -3.806 1.00 0.00 C ATOM 285 O GLY A 21 -1.525 12.334 -4.493 1.00 0.00 O ATOM 0 H GLY A 21 -2.408 8.978 -2.334 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -3.122 11.128 -2.771 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.830 11.795 -1.793 1.00 0.00 H new ATOM 289 N THR A 22 -0.279 10.504 -4.094 1.00 0.00 N ATOM 290 CA THR A 22 0.582 10.680 -5.262 1.00 0.00 C ATOM 291 C THR A 22 -0.028 10.045 -6.514 1.00 0.00 C ATOM 292 O THR A 22 -1.123 9.482 -6.472 1.00 0.00 O ATOM 293 CB THR A 22 1.973 10.089 -5.000 1.00 0.00 C ATOM 294 OG1 THR A 22 1.950 9.196 -3.897 1.00 0.00 O ATOM 295 CG2 THR A 22 3.027 11.143 -4.723 1.00 0.00 C ATOM 0 H THR A 22 -0.054 9.684 -3.530 1.00 0.00 H new ATOM 0 HA THR A 22 0.676 11.751 -5.439 1.00 0.00 H new ATOM 0 HB THR A 22 2.238 9.564 -5.918 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.782 9.285 -3.386 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.988 10.659 -4.546 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.109 11.810 -5.581 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.743 11.719 -3.842 1.00 0.00 H new ATOM 303 N TYR A 23 0.693 10.152 -7.635 1.00 0.00 N ATOM 304 CA TYR A 23 0.236 9.606 -8.916 1.00 0.00 C ATOM 305 C TYR A 23 -0.072 8.112 -8.804 1.00 0.00 C ATOM 306 O TYR A 23 -0.967 7.609 -9.484 1.00 0.00 O ATOM 307 CB TYR A 23 1.289 9.837 -10.005 1.00 0.00 C ATOM 308 CG TYR A 23 1.649 11.293 -10.214 1.00 0.00 C ATOM 309 CD1 TYR A 23 0.897 12.101 -11.059 1.00 0.00 C ATOM 310 CD2 TYR A 23 2.740 11.860 -9.565 1.00 0.00 C ATOM 311 CE1 TYR A 23 1.224 13.430 -11.252 1.00 0.00 C ATOM 312 CE2 TYR A 23 3.072 13.187 -9.753 1.00 0.00 C ATOM 313 CZ TYR A 23 2.311 13.968 -10.597 1.00 0.00 C ATOM 314 OH TYR A 23 2.638 15.291 -10.786 1.00 0.00 O ATOM 0 H TYR A 23 1.601 10.615 -7.680 1.00 0.00 H new ATOM 0 HA TYR A 23 -0.682 10.128 -9.188 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.192 9.284 -9.746 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.921 9.426 -10.945 1.00 0.00 H new ATOM 0 HD1 TYR A 23 0.044 11.684 -11.573 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.338 11.252 -8.902 1.00 0.00 H new ATOM 0 HE1 TYR A 23 0.631 14.044 -11.913 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.923 13.611 -9.242 1.00 0.00 H new ATOM 0 HH TYR A 23 3.429 15.512 -10.251 1.00 0.00 H new ATOM 324 N ALA A 24 0.660 7.408 -7.935 1.00 0.00 N ATOM 325 CA ALA A 24 0.441 5.976 -7.735 1.00 0.00 C ATOM 326 C ALA A 24 -1.018 5.704 -7.352 1.00 0.00 C ATOM 327 O ALA A 24 -1.595 4.701 -7.763 1.00 0.00 O ATOM 328 CB ALA A 24 1.381 5.434 -6.665 1.00 0.00 C ATOM 0 H ALA A 24 1.405 7.806 -7.363 1.00 0.00 H new ATOM 0 HA ALA A 24 0.654 5.463 -8.673 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.203 4.367 -6.531 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.414 5.593 -6.974 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.199 5.953 -5.724 1.00 0.00 H new ATOM 334 N ASP A 25 -1.610 6.620 -6.579 1.00 0.00 N ATOM 335 CA ASP A 25 -3.008 6.507 -6.155 1.00 0.00 C ATOM 336 C ASP A 25 -3.945 6.545 -7.367 1.00 0.00 C ATOM 337 O ASP A 25 -4.891 5.761 -7.460 1.00 0.00 O ATOM 338 CB ASP A 25 -3.351 7.643 -5.179 1.00 0.00 C ATOM 339 CG ASP A 25 -4.829 7.717 -4.818 1.00 0.00 C ATOM 340 OD1 ASP A 25 -5.528 6.688 -4.915 1.00 0.00 O ATOM 341 OD2 ASP A 25 -5.286 8.811 -4.430 1.00 0.00 O ATOM 0 H ASP A 25 -1.137 7.455 -6.232 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.144 5.551 -5.649 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.770 7.513 -4.266 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.046 8.592 -5.619 1.00 0.00 H new ATOM 346 N LEU A 26 -3.672 7.459 -8.296 1.00 0.00 N ATOM 347 CA LEU A 26 -4.488 7.593 -9.501 1.00 0.00 C ATOM 348 C LEU A 26 -4.366 6.352 -10.389 1.00 0.00 C ATOM 349 O LEU A 26 -5.368 5.831 -10.880 1.00 0.00 O ATOM 350 CB LEU A 26 -4.079 8.849 -10.285 1.00 0.00 C ATOM 351 CG LEU A 26 -5.231 9.619 -10.944 1.00 0.00 C ATOM 352 CD1 LEU A 26 -5.967 8.739 -11.944 1.00 0.00 C ATOM 353 CD2 LEU A 26 -6.192 10.150 -9.888 1.00 0.00 C ATOM 0 H LEU A 26 -2.894 8.116 -8.238 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.530 7.691 -9.195 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.554 9.524 -9.609 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.369 8.558 -11.059 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.809 10.467 -11.484 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.779 9.306 -12.399 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.274 8.412 -12.720 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.375 7.868 -11.431 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.002 10.693 -10.374 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.604 9.317 -9.319 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.658 10.821 -9.215 1.00 0.00 H new ATOM 365 N VAL A 27 -3.132 5.882 -10.593 1.00 0.00 N ATOM 366 CA VAL A 27 -2.890 4.702 -11.427 1.00 0.00 C ATOM 367 C VAL A 27 -3.370 3.413 -10.746 1.00 0.00 C ATOM 368 O VAL A 27 -3.977 2.557 -11.392 1.00 0.00 O ATOM 369 CB VAL A 27 -1.399 4.561 -11.819 1.00 0.00 C ATOM 370 CG1 VAL A 27 -0.519 4.358 -10.594 1.00 0.00 C ATOM 371 CG2 VAL A 27 -1.219 3.419 -12.808 1.00 0.00 C ATOM 0 H VAL A 27 -2.290 6.298 -10.195 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.471 4.852 -12.337 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.087 5.490 -12.297 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.521 4.263 -10.905 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.621 5.214 -9.927 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.826 3.452 -10.072 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.166 3.331 -13.075 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.557 2.488 -12.354 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.805 3.619 -13.705 1.00 0.00 H new ATOM 381 N ARG A 28 -3.100 3.281 -9.444 1.00 0.00 N ATOM 382 CA ARG A 28 -3.514 2.096 -8.685 1.00 0.00 C ATOM 383 C ARG A 28 -5.038 1.947 -8.689 1.00 0.00 C ATOM 384 O ARG A 28 -5.557 0.832 -8.719 1.00 0.00 O ATOM 385 CB ARG A 28 -2.982 2.150 -7.243 1.00 0.00 C ATOM 386 CG ARG A 28 -3.618 3.228 -6.382 1.00 0.00 C ATOM 387 CD ARG A 28 -4.830 2.708 -5.621 1.00 0.00 C ATOM 388 NE ARG A 28 -4.449 1.913 -4.455 1.00 0.00 N ATOM 389 CZ ARG A 28 -5.307 1.501 -3.521 1.00 0.00 C ATOM 390 NH1 ARG A 28 -6.602 1.797 -3.613 1.00 0.00 N ATOM 391 NH2 ARG A 28 -4.870 0.783 -2.495 1.00 0.00 N ATOM 0 H ARG A 28 -2.598 3.978 -8.894 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.084 1.222 -9.174 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.146 1.181 -6.771 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.905 2.313 -7.271 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.881 3.609 -5.674 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.917 4.066 -7.012 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.444 3.549 -5.300 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.443 2.102 -6.288 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.467 1.658 -4.349 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.945 2.343 -4.403 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.251 1.477 -2.894 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.880 0.548 -2.422 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.524 0.466 -1.779 1.00 0.00 H new ATOM 405 N ALA A 29 -5.747 3.081 -8.656 1.00 0.00 N ATOM 406 CA ALA A 29 -7.213 3.086 -8.660 1.00 0.00 C ATOM 407 C ALA A 29 -7.785 2.309 -9.849 1.00 0.00 C ATOM 408 O ALA A 29 -8.910 1.813 -9.785 1.00 0.00 O ATOM 409 CB ALA A 29 -7.739 4.515 -8.663 1.00 0.00 C ATOM 0 H ALA A 29 -5.327 4.010 -8.626 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.543 2.584 -7.750 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.829 4.502 -8.666 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.385 5.035 -7.773 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.380 5.033 -9.552 1.00 0.00 H new ATOM 415 N VAL A 30 -7.007 2.195 -10.929 1.00 0.00 N ATOM 416 CA VAL A 30 -7.455 1.461 -12.112 1.00 0.00 C ATOM 417 C VAL A 30 -7.267 -0.054 -11.925 1.00 0.00 C ATOM 418 O VAL A 30 -7.566 -0.837 -12.828 1.00 0.00 O ATOM 419 CB VAL A 30 -6.692 1.915 -13.379 1.00 0.00 C ATOM 420 CG1 VAL A 30 -7.397 1.428 -14.638 1.00 0.00 C ATOM 421 CG2 VAL A 30 -6.536 3.431 -13.403 1.00 0.00 C ATOM 0 H VAL A 30 -6.073 2.598 -11.007 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.515 1.679 -12.240 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.697 1.471 -13.352 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.843 1.759 -15.516 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.447 0.339 -14.629 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.407 1.837 -14.671 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.997 3.727 -14.303 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.521 3.898 -13.400 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.979 3.753 -12.523 1.00 0.00 H new ATOM 431 N ASP A 31 -6.790 -0.463 -10.738 1.00 0.00 N ATOM 432 CA ASP A 31 -6.577 -1.873 -10.418 1.00 0.00 C ATOM 433 C ASP A 31 -5.718 -2.563 -11.478 1.00 0.00 C ATOM 434 O ASP A 31 -6.193 -3.424 -12.223 1.00 0.00 O ATOM 435 CB ASP A 31 -7.924 -2.586 -10.252 1.00 0.00 C ATOM 436 CG ASP A 31 -7.831 -3.858 -9.422 1.00 0.00 C ATOM 437 OD1 ASP A 31 -6.782 -4.537 -9.473 1.00 0.00 O ATOM 438 OD2 ASP A 31 -8.813 -4.176 -8.721 1.00 0.00 O ATOM 0 H ASP A 31 -6.544 0.175 -9.981 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.034 -1.930 -9.474 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.633 -1.904 -9.782 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.322 -2.831 -11.237 1.00 0.00 H new ATOM 443 N LEU A 32 -4.445 -2.176 -11.535 1.00 0.00 N ATOM 444 CA LEU A 32 -3.511 -2.755 -12.494 1.00 0.00 C ATOM 445 C LEU A 32 -2.379 -3.496 -11.774 1.00 0.00 C ATOM 446 O LEU A 32 -1.256 -3.571 -12.277 1.00 0.00 O ATOM 447 CB LEU A 32 -2.939 -1.662 -13.402 1.00 0.00 C ATOM 448 CG LEU A 32 -3.644 -1.501 -14.752 1.00 0.00 C ATOM 449 CD1 LEU A 32 -5.037 -0.914 -14.569 1.00 0.00 C ATOM 450 CD2 LEU A 32 -2.812 -0.629 -15.678 1.00 0.00 C ATOM 0 H LEU A 32 -4.038 -1.464 -10.928 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.053 -3.475 -13.108 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.983 -0.711 -12.871 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.886 -1.877 -13.583 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.751 -2.487 -15.205 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.518 -0.809 -15.541 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.631 -1.577 -13.940 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.960 0.064 -14.095 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.324 -0.522 -16.634 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.676 0.354 -15.227 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.839 -1.093 -15.837 1.00 0.00 H new ATOM 462 N SER A 33 -2.682 -4.049 -10.597 1.00 0.00 N ATOM 463 CA SER A 33 -1.689 -4.785 -9.820 1.00 0.00 C ATOM 464 C SER A 33 -1.869 -6.294 -10.000 1.00 0.00 C ATOM 465 O SER A 33 -2.933 -6.837 -9.699 1.00 0.00 O ATOM 466 CB SER A 33 -1.780 -4.413 -8.335 1.00 0.00 C ATOM 467 OG SER A 33 -3.128 -4.350 -7.898 1.00 0.00 O ATOM 0 H SER A 33 -3.605 -4.000 -10.165 1.00 0.00 H new ATOM 0 HA SER A 33 -0.701 -4.509 -10.187 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.237 -5.148 -7.741 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.297 -3.450 -8.170 1.00 0.00 H new ATOM 0 HG SER A 33 -3.627 -5.109 -8.266 1.00 0.00 H new ATOM 473 N PRO A 34 -0.824 -6.994 -10.496 1.00 0.00 N ATOM 474 CA PRO A 34 -0.870 -8.449 -10.717 1.00 0.00 C ATOM 475 C PRO A 34 -1.215 -9.229 -9.447 1.00 0.00 C ATOM 476 O PRO A 34 -1.860 -10.276 -9.512 1.00 0.00 O ATOM 477 CB PRO A 34 0.550 -8.791 -11.184 1.00 0.00 C ATOM 478 CG PRO A 34 1.100 -7.512 -11.712 1.00 0.00 C ATOM 479 CD PRO A 34 0.481 -6.424 -10.882 1.00 0.00 C ATOM 0 HA PRO A 34 -1.646 -8.720 -11.433 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.155 -9.171 -10.361 1.00 0.00 H new ATOM 0 HB3 PRO A 34 0.537 -9.563 -11.954 1.00 0.00 H new ATOM 0 HG2 PRO A 34 2.187 -7.492 -11.634 1.00 0.00 H new ATOM 0 HG3 PRO A 34 0.854 -7.387 -12.766 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.090 -6.187 -10.010 1.00 0.00 H new ATOM 0 HD3 PRO A 34 0.365 -5.501 -11.450 1.00 0.00 H new ATOM 487 N HIS A 35 -0.780 -8.713 -8.294 1.00 0.00 N ATOM 488 CA HIS A 35 -1.045 -9.364 -7.010 1.00 0.00 C ATOM 489 C HIS A 35 -2.507 -9.195 -6.589 1.00 0.00 C ATOM 490 O HIS A 35 -3.116 -10.129 -6.064 1.00 0.00 O ATOM 491 CB HIS A 35 -0.130 -8.799 -5.918 1.00 0.00 C ATOM 492 CG HIS A 35 1.312 -9.180 -6.076 1.00 0.00 C ATOM 493 ND1 HIS A 35 1.723 -10.391 -6.595 1.00 0.00 N ATOM 494 CD2 HIS A 35 2.445 -8.500 -5.775 1.00 0.00 C ATOM 495 CE1 HIS A 35 3.043 -10.440 -6.604 1.00 0.00 C ATOM 496 NE2 HIS A 35 3.505 -9.305 -6.113 1.00 0.00 N ATOM 0 H HIS A 35 -0.244 -7.848 -8.224 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.841 -10.427 -7.137 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -0.210 -7.712 -5.917 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -0.483 -9.146 -4.947 1.00 0.00 H new ATOM 0 HD2 HIS A 35 2.503 -7.509 -5.349 1.00 0.00 H new ATOM 0 HE1 HIS A 35 3.642 -11.268 -6.954 1.00 0.00 H new ATOM 0 HE2 HIS A 35 4.490 -9.065 -6.003 1.00 0.00 H new ATOM 505 N GLU A 36 -3.057 -7.997 -6.813 1.00 0.00 N ATOM 506 CA GLU A 36 -4.442 -7.695 -6.450 1.00 0.00 C ATOM 507 C GLU A 36 -4.659 -7.891 -4.950 1.00 0.00 C ATOM 508 O GLU A 36 -5.202 -8.909 -4.513 1.00 0.00 O ATOM 509 CB GLU A 36 -5.412 -8.570 -7.253 1.00 0.00 C ATOM 510 CG GLU A 36 -6.779 -7.935 -7.454 1.00 0.00 C ATOM 511 CD GLU A 36 -7.904 -8.778 -6.887 1.00 0.00 C ATOM 512 OE1 GLU A 36 -8.044 -8.825 -5.646 1.00 0.00 O ATOM 513 OE2 GLU A 36 -8.645 -9.392 -7.683 1.00 0.00 O ATOM 0 H GLU A 36 -2.560 -7.219 -7.246 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.640 -6.651 -6.692 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.973 -8.785 -8.227 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.536 -9.525 -6.742 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.792 -6.953 -6.981 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.949 -7.778 -8.519 1.00 0.00 H new ATOM 520 N VAL A 37 -4.211 -6.911 -4.165 1.00 0.00 N ATOM 521 CA VAL A 37 -4.338 -6.974 -2.713 1.00 0.00 C ATOM 522 C VAL A 37 -5.034 -5.734 -2.155 1.00 0.00 C ATOM 523 O VAL A 37 -5.061 -4.682 -2.799 1.00 0.00 O ATOM 524 CB VAL A 37 -2.958 -7.120 -2.039 1.00 0.00 C ATOM 525 CG1 VAL A 37 -2.348 -8.481 -2.338 1.00 0.00 C ATOM 526 CG2 VAL A 37 -2.023 -6.004 -2.485 1.00 0.00 C ATOM 0 H VAL A 37 -3.758 -6.066 -4.512 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.945 -7.851 -2.490 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.098 -7.042 -0.961 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.376 -8.559 -1.852 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.005 -9.265 -1.962 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.225 -8.596 -3.415 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.055 -6.124 -1.999 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.894 -6.048 -3.566 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.450 -5.040 -2.209 1.00 0.00 H new ATOM 536 N THR A 38 -5.583 -5.863 -0.946 1.00 0.00 N ATOM 537 CA THR A 38 -6.268 -4.754 -0.289 1.00 0.00 C ATOM 538 C THR A 38 -5.372 -4.125 0.777 1.00 0.00 C ATOM 539 O THR A 38 -5.001 -4.777 1.756 1.00 0.00 O ATOM 540 CB THR A 38 -7.594 -5.228 0.328 1.00 0.00 C ATOM 541 OG1 THR A 38 -8.373 -4.124 0.763 1.00 0.00 O ATOM 542 CG2 THR A 38 -7.423 -6.164 1.510 1.00 0.00 C ATOM 0 H THR A 38 -5.565 -6.726 -0.403 1.00 0.00 H new ATOM 0 HA THR A 38 -6.491 -3.995 -1.039 1.00 0.00 H new ATOM 0 HB THR A 38 -8.092 -5.776 -0.471 1.00 0.00 H new ATOM 0 HG1 THR A 38 -9.213 -4.449 1.150 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.403 -6.454 1.889 1.00 0.00 H new ATOM 0 HG22 THR A 38 -6.879 -7.054 1.194 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.864 -5.658 2.297 1.00 0.00 H new ATOM 550 N VAL A 39 -5.027 -2.856 0.578 1.00 0.00 N ATOM 551 CA VAL A 39 -4.175 -2.137 1.518 1.00 0.00 C ATOM 552 C VAL A 39 -4.957 -1.045 2.246 1.00 0.00 C ATOM 553 O VAL A 39 -5.653 -0.242 1.619 1.00 0.00 O ATOM 554 CB VAL A 39 -2.949 -1.515 0.811 1.00 0.00 C ATOM 555 CG1 VAL A 39 -3.378 -0.474 -0.210 1.00 0.00 C ATOM 556 CG2 VAL A 39 -1.992 -0.909 1.826 1.00 0.00 C ATOM 0 H VAL A 39 -5.325 -2.305 -0.227 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.821 -2.865 2.248 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.427 -2.312 0.281 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.496 -0.052 -0.692 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.014 -0.942 -0.961 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.932 0.320 0.291 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.137 -0.477 1.307 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.505 -0.130 2.390 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.647 -1.685 2.510 1.00 0.00 H new ATOM 566 N LEU A 40 -4.832 -1.020 3.571 1.00 0.00 N ATOM 567 CA LEU A 40 -5.519 -0.026 4.391 1.00 0.00 C ATOM 568 C LEU A 40 -4.515 0.775 5.214 1.00 0.00 C ATOM 569 O LEU A 40 -3.543 0.220 5.730 1.00 0.00 O ATOM 570 CB LEU A 40 -6.537 -0.700 5.319 1.00 0.00 C ATOM 571 CG LEU A 40 -5.975 -1.815 6.211 1.00 0.00 C ATOM 572 CD1 LEU A 40 -5.526 -1.260 7.557 1.00 0.00 C ATOM 573 CD2 LEU A 40 -7.009 -2.915 6.404 1.00 0.00 C ATOM 0 H LEU A 40 -4.260 -1.678 4.100 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.050 0.654 3.725 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.983 0.063 5.957 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.340 -1.115 4.710 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.104 -2.242 5.714 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.132 -2.070 8.171 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.749 -0.511 7.401 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.375 -0.801 8.063 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.594 -3.697 7.039 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.899 -2.499 6.876 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.276 -3.337 5.435 1.00 0.00 H new ATOM 585 N VAL A 41 -4.757 2.080 5.335 1.00 0.00 N ATOM 586 CA VAL A 41 -3.876 2.957 6.100 1.00 0.00 C ATOM 587 C VAL A 41 -4.617 3.597 7.266 1.00 0.00 C ATOM 588 O VAL A 41 -5.635 4.268 7.075 1.00 0.00 O ATOM 589 CB VAL A 41 -3.271 4.076 5.223 1.00 0.00 C ATOM 590 CG1 VAL A 41 -2.233 4.873 6.005 1.00 0.00 C ATOM 591 CG2 VAL A 41 -2.664 3.502 3.950 1.00 0.00 C ATOM 0 H VAL A 41 -5.556 2.552 4.912 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.069 2.329 6.477 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.076 4.753 4.937 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.820 5.656 5.368 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.704 5.326 6.878 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.432 4.208 6.329 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.245 4.310 3.350 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.875 2.796 4.209 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.437 2.989 3.378 1.00 0.00 H new ATOM 601 N ASP A 42 -4.090 3.397 8.470 1.00 0.00 N ATOM 602 CA ASP A 42 -4.686 3.964 9.672 1.00 0.00 C ATOM 603 C ASP A 42 -4.263 5.421 9.837 1.00 0.00 C ATOM 604 O ASP A 42 -3.084 5.753 9.701 1.00 0.00 O ATOM 605 CB ASP A 42 -4.289 3.153 10.912 1.00 0.00 C ATOM 606 CG ASP A 42 -2.787 2.961 11.050 1.00 0.00 C ATOM 607 OD1 ASP A 42 -2.229 2.101 10.335 1.00 0.00 O ATOM 608 OD2 ASP A 42 -2.172 3.663 11.881 1.00 0.00 O ATOM 0 H ASP A 42 -3.249 2.845 8.638 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.770 3.922 9.567 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.667 3.655 11.802 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.771 2.176 10.868 1.00 0.00 H new ATOM 613 N GLY A 43 -5.237 6.284 10.121 1.00 0.00 N ATOM 614 CA GLY A 43 -4.958 7.701 10.297 1.00 0.00 C ATOM 615 C GLY A 43 -4.054 7.973 11.487 1.00 0.00 C ATOM 616 O GLY A 43 -4.534 8.232 12.593 1.00 0.00 O ATOM 0 H GLY A 43 -6.218 6.026 10.233 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.490 8.091 9.393 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.897 8.239 10.428 1.00 0.00 H new ATOM 620 N ARG A 44 -2.742 7.902 11.259 1.00 0.00 N ATOM 621 CA ARG A 44 -1.760 8.131 12.313 1.00 0.00 C ATOM 622 C ARG A 44 -0.716 9.162 11.878 1.00 0.00 C ATOM 623 O ARG A 44 -0.151 9.058 10.787 1.00 0.00 O ATOM 624 CB ARG A 44 -1.072 6.813 12.679 1.00 0.00 C ATOM 625 CG ARG A 44 -0.372 6.841 14.027 1.00 0.00 C ATOM 626 CD ARG A 44 -1.290 6.364 15.141 1.00 0.00 C ATOM 627 NE ARG A 44 -1.220 4.914 15.334 1.00 0.00 N ATOM 628 CZ ARG A 44 -1.680 4.280 16.417 1.00 0.00 C ATOM 629 NH1 ARG A 44 -2.263 4.959 17.402 1.00 0.00 N ATOM 630 NH2 ARG A 44 -1.563 2.960 16.513 1.00 0.00 N ATOM 0 H ARG A 44 -2.336 7.687 10.348 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.281 8.522 13.186 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.814 6.015 12.682 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.343 6.568 11.907 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.516 6.210 13.990 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.034 7.855 14.242 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.021 6.866 16.071 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.317 6.649 14.910 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.794 4.353 14.596 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.362 5.972 17.334 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.611 4.466 18.225 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.122 2.431 15.760 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.914 2.476 17.339 1.00 0.00 H new ATOM 644 N PRO A 45 -0.447 10.173 12.732 1.00 0.00 N ATOM 645 CA PRO A 45 0.534 11.229 12.437 1.00 0.00 C ATOM 646 C PRO A 45 1.897 10.664 12.043 1.00 0.00 C ATOM 647 O PRO A 45 2.431 9.781 12.719 1.00 0.00 O ATOM 648 CB PRO A 45 0.642 11.997 13.756 1.00 0.00 C ATOM 649 CG PRO A 45 -0.657 11.756 14.441 1.00 0.00 C ATOM 650 CD PRO A 45 -1.079 10.367 14.052 1.00 0.00 C ATOM 0 HA PRO A 45 0.223 11.844 11.592 1.00 0.00 H new ATOM 0 HB2 PRO A 45 1.478 11.638 14.356 1.00 0.00 H new ATOM 0 HB3 PRO A 45 0.807 13.060 13.583 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -0.550 11.843 15.522 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -1.402 12.490 14.134 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.736 9.626 14.774 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -2.164 10.278 13.995 1.00 0.00 H new ATOM 658 N VAL A 46 2.452 11.176 10.945 1.00 0.00 N ATOM 659 CA VAL A 46 3.751 10.718 10.458 1.00 0.00 C ATOM 660 C VAL A 46 4.608 11.884 9.959 1.00 0.00 C ATOM 661 O VAL A 46 4.182 12.654 9.096 1.00 0.00 O ATOM 662 CB VAL A 46 3.601 9.684 9.319 1.00 0.00 C ATOM 663 CG1 VAL A 46 3.189 8.326 9.870 1.00 0.00 C ATOM 664 CG2 VAL A 46 2.605 10.165 8.270 1.00 0.00 C ATOM 0 H VAL A 46 2.023 11.907 10.377 1.00 0.00 H new ATOM 0 HA VAL A 46 4.247 10.246 11.306 1.00 0.00 H new ATOM 0 HB VAL A 46 4.572 9.575 8.837 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.090 7.615 9.050 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.947 7.971 10.568 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.234 8.418 10.388 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.519 9.418 7.481 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.631 10.315 8.735 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.952 11.106 7.843 1.00 0.00 H new ATOM 674 N PRO A 47 5.840 12.024 10.492 1.00 0.00 N ATOM 675 CA PRO A 47 6.763 13.094 10.089 1.00 0.00 C ATOM 676 C PRO A 47 7.400 12.843 8.718 1.00 0.00 C ATOM 677 O PRO A 47 7.984 13.751 8.125 1.00 0.00 O ATOM 678 CB PRO A 47 7.829 13.067 11.184 1.00 0.00 C ATOM 679 CG PRO A 47 7.843 11.657 11.663 1.00 0.00 C ATOM 680 CD PRO A 47 6.432 11.146 11.522 1.00 0.00 C ATOM 0 HA PRO A 47 6.252 14.052 9.988 1.00 0.00 H new ATOM 0 HB2 PRO A 47 8.803 13.363 10.795 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.585 13.757 11.992 1.00 0.00 H new ATOM 0 HG2 PRO A 47 8.535 11.054 11.075 1.00 0.00 H new ATOM 0 HG3 PRO A 47 8.174 11.602 12.700 1.00 0.00 H new ATOM 0 HD2 PRO A 47 6.414 10.100 11.215 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.887 11.211 12.464 1.00 0.00 H new ATOM 688 N GLU A 48 7.283 11.608 8.219 1.00 0.00 N ATOM 689 CA GLU A 48 7.846 11.242 6.919 1.00 0.00 C ATOM 690 C GLU A 48 7.148 11.972 5.764 1.00 0.00 C ATOM 691 O GLU A 48 7.644 11.961 4.636 1.00 0.00 O ATOM 692 CB GLU A 48 7.759 9.725 6.705 1.00 0.00 C ATOM 693 CG GLU A 48 6.361 9.151 6.898 1.00 0.00 C ATOM 694 CD GLU A 48 6.325 8.042 7.933 1.00 0.00 C ATOM 695 OE1 GLU A 48 6.576 8.332 9.123 1.00 0.00 O ATOM 696 OE2 GLU A 48 6.049 6.885 7.553 1.00 0.00 O ATOM 0 H GLU A 48 6.803 10.846 8.698 1.00 0.00 H new ATOM 0 HA GLU A 48 8.892 11.549 6.923 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.101 9.490 5.697 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.442 9.231 7.396 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.683 9.949 7.202 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.995 8.767 5.946 1.00 0.00 H new ATOM 703 N ASP A 49 6.006 12.613 6.045 1.00 0.00 N ATOM 704 CA ASP A 49 5.262 13.341 5.015 1.00 0.00 C ATOM 705 C ASP A 49 5.925 14.681 4.665 1.00 0.00 C ATOM 706 O ASP A 49 5.439 15.404 3.795 1.00 0.00 O ATOM 707 CB ASP A 49 3.815 13.583 5.472 1.00 0.00 C ATOM 708 CG ASP A 49 2.927 12.357 5.327 1.00 0.00 C ATOM 709 OD1 ASP A 49 3.212 11.505 4.458 1.00 0.00 O ATOM 710 OD2 ASP A 49 1.937 12.256 6.081 1.00 0.00 O ATOM 0 H ASP A 49 5.581 12.641 6.972 1.00 0.00 H new ATOM 0 HA ASP A 49 5.264 12.722 4.118 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.819 13.900 6.515 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.390 14.402 4.892 1.00 0.00 H new ATOM 715 N GLN A 50 7.041 15.006 5.331 1.00 0.00 N ATOM 716 CA GLN A 50 7.759 16.252 5.064 1.00 0.00 C ATOM 717 C GLN A 50 8.117 16.362 3.583 1.00 0.00 C ATOM 718 O GLN A 50 7.694 17.298 2.903 1.00 0.00 O ATOM 719 CB GLN A 50 9.027 16.333 5.919 1.00 0.00 C ATOM 720 CG GLN A 50 8.751 16.640 7.382 1.00 0.00 C ATOM 721 CD GLN A 50 9.336 17.968 7.827 1.00 0.00 C ATOM 722 OE1 GLN A 50 9.976 18.056 8.874 1.00 0.00 O ATOM 723 NE2 GLN A 50 9.114 19.013 7.034 1.00 0.00 N ATOM 0 H GLN A 50 7.462 14.424 6.055 1.00 0.00 H new ATOM 0 HA GLN A 50 7.105 17.084 5.326 1.00 0.00 H new ATOM 0 HB2 GLN A 50 9.564 15.387 5.849 1.00 0.00 H new ATOM 0 HB3 GLN A 50 9.682 17.103 5.511 1.00 0.00 H new ATOM 0 HG2 GLN A 50 7.674 16.649 7.549 1.00 0.00 H new ATOM 0 HG3 GLN A 50 9.163 15.842 8.000 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.578 18.896 6.174 1.00 0.00 H new ATOM 0 HE22 GLN A 50 9.480 19.931 7.286 1.00 0.00 H new ATOM 732 N SER A 51 8.889 15.395 3.087 1.00 0.00 N ATOM 733 CA SER A 51 9.291 15.380 1.681 1.00 0.00 C ATOM 734 C SER A 51 9.101 13.995 1.054 1.00 0.00 C ATOM 735 O SER A 51 9.682 13.691 0.010 1.00 0.00 O ATOM 736 CB SER A 51 10.748 15.825 1.546 1.00 0.00 C ATOM 737 OG SER A 51 10.869 17.230 1.700 1.00 0.00 O ATOM 0 H SER A 51 9.248 14.614 3.636 1.00 0.00 H new ATOM 0 HA SER A 51 8.649 16.078 1.144 1.00 0.00 H new ATOM 0 HB2 SER A 51 11.357 15.320 2.296 1.00 0.00 H new ATOM 0 HB3 SER A 51 11.133 15.528 0.570 1.00 0.00 H new ATOM 0 HG SER A 51 11.810 17.489 1.611 1.00 0.00 H new ATOM 743 N VAL A 52 8.276 13.165 1.693 1.00 0.00 N ATOM 744 CA VAL A 52 7.997 11.815 1.206 1.00 0.00 C ATOM 745 C VAL A 52 6.605 11.363 1.653 1.00 0.00 C ATOM 746 O VAL A 52 6.456 10.734 2.701 1.00 0.00 O ATOM 747 CB VAL A 52 9.048 10.795 1.716 1.00 0.00 C ATOM 748 CG1 VAL A 52 8.838 9.433 1.070 1.00 0.00 C ATOM 749 CG2 VAL A 52 10.467 11.291 1.465 1.00 0.00 C ATOM 0 H VAL A 52 7.787 13.407 2.555 1.00 0.00 H new ATOM 0 HA VAL A 52 8.044 11.849 0.118 1.00 0.00 H new ATOM 0 HB VAL A 52 8.913 10.691 2.793 1.00 0.00 H new ATOM 0 HG11 VAL A 52 9.587 8.734 1.443 1.00 0.00 H new ATOM 0 HG12 VAL A 52 7.842 9.063 1.316 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.934 9.525 -0.012 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.181 10.554 1.834 1.00 0.00 H new ATOM 0 HG22 VAL A 52 10.617 11.438 0.395 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.620 12.236 1.986 1.00 0.00 H new ATOM 759 N GLU A 53 5.585 11.695 0.862 1.00 0.00 N ATOM 760 CA GLU A 53 4.208 11.325 1.194 1.00 0.00 C ATOM 761 C GLU A 53 4.000 9.812 1.084 1.00 0.00 C ATOM 762 O GLU A 53 3.474 9.315 0.085 1.00 0.00 O ATOM 763 CB GLU A 53 3.212 12.078 0.298 1.00 0.00 C ATOM 764 CG GLU A 53 3.497 11.957 -1.192 1.00 0.00 C ATOM 765 CD GLU A 53 3.696 13.304 -1.861 1.00 0.00 C ATOM 766 OE1 GLU A 53 4.785 13.894 -1.697 1.00 0.00 O ATOM 767 OE2 GLU A 53 2.762 13.770 -2.547 1.00 0.00 O ATOM 0 H GLU A 53 5.684 12.217 -0.009 1.00 0.00 H new ATOM 0 HA GLU A 53 4.024 11.613 2.229 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.208 11.703 0.496 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.219 13.133 0.573 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.389 11.348 -1.339 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.671 11.435 -1.675 1.00 0.00 H new ATOM 774 N VAL A 54 4.419 9.086 2.125 1.00 0.00 N ATOM 775 CA VAL A 54 4.281 7.632 2.160 1.00 0.00 C ATOM 776 C VAL A 54 3.909 7.140 3.555 1.00 0.00 C ATOM 777 O VAL A 54 4.096 7.846 4.549 1.00 0.00 O ATOM 778 CB VAL A 54 5.582 6.920 1.726 1.00 0.00 C ATOM 779 CG1 VAL A 54 5.815 7.087 0.234 1.00 0.00 C ATOM 780 CG2 VAL A 54 6.775 7.429 2.527 1.00 0.00 C ATOM 0 H VAL A 54 4.857 9.485 2.955 1.00 0.00 H new ATOM 0 HA VAL A 54 3.484 7.388 1.458 1.00 0.00 H new ATOM 0 HB VAL A 54 5.471 5.856 1.933 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.736 6.578 -0.050 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.978 6.656 -0.315 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.898 8.147 -0.005 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.678 6.912 2.203 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.892 8.500 2.365 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.609 7.239 3.587 1.00 0.00 H new ATOM 790 N ASP A 55 3.393 5.915 3.615 1.00 0.00 N ATOM 791 CA ASP A 55 2.994 5.298 4.875 1.00 0.00 C ATOM 792 C ASP A 55 3.181 3.782 4.817 1.00 0.00 C ATOM 793 O ASP A 55 2.925 3.160 3.785 1.00 0.00 O ATOM 794 CB ASP A 55 1.529 5.626 5.178 1.00 0.00 C ATOM 795 CG ASP A 55 1.349 7.002 5.792 1.00 0.00 C ATOM 796 OD1 ASP A 55 1.469 7.121 7.029 1.00 0.00 O ATOM 797 OD2 ASP A 55 1.082 7.960 5.035 1.00 0.00 O ATOM 0 H ASP A 55 3.241 5.326 2.796 1.00 0.00 H new ATOM 0 HA ASP A 55 3.626 5.698 5.668 1.00 0.00 H new ATOM 0 HB2 ASP A 55 0.950 5.566 4.256 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.126 4.875 5.857 1.00 0.00 H new ATOM 802 N ARG A 56 3.614 3.189 5.930 1.00 0.00 N ATOM 803 CA ARG A 56 3.814 1.742 5.994 1.00 0.00 C ATOM 804 C ARG A 56 2.573 1.066 6.567 1.00 0.00 C ATOM 805 O ARG A 56 2.111 1.413 7.656 1.00 0.00 O ATOM 806 CB ARG A 56 5.040 1.398 6.846 1.00 0.00 C ATOM 807 CG ARG A 56 5.227 -0.097 7.075 1.00 0.00 C ATOM 808 CD ARG A 56 6.501 -0.392 7.855 1.00 0.00 C ATOM 809 NE ARG A 56 7.323 -1.410 7.200 1.00 0.00 N ATOM 810 CZ ARG A 56 8.133 -1.169 6.163 1.00 0.00 C ATOM 811 NH1 ARG A 56 8.222 0.053 5.643 1.00 0.00 N ATOM 812 NH2 ARG A 56 8.853 -2.157 5.642 1.00 0.00 N ATOM 0 H ARG A 56 3.832 3.685 6.794 1.00 0.00 H new ATOM 0 HA ARG A 56 3.985 1.375 4.982 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.931 1.797 6.362 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.952 1.896 7.811 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.368 -0.492 7.618 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.261 -0.611 6.114 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.079 0.525 7.964 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.242 -0.727 8.859 1.00 0.00 H new ATOM 0 HE ARG A 56 7.275 -2.364 7.557 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.670 0.816 6.035 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.842 0.227 4.852 1.00 0.00 H new ATOM 0 HH21 ARG A 56 8.787 -3.097 6.033 1.00 0.00 H new ATOM 0 HH22 ARG A 56 9.471 -1.975 4.851 1.00 0.00 H new ATOM 826 N VAL A 57 2.036 0.108 5.819 1.00 0.00 N ATOM 827 CA VAL A 57 0.837 -0.616 6.231 1.00 0.00 C ATOM 828 C VAL A 57 0.965 -2.115 5.960 1.00 0.00 C ATOM 829 O VAL A 57 1.876 -2.552 5.256 1.00 0.00 O ATOM 830 CB VAL A 57 -0.415 -0.070 5.512 1.00 0.00 C ATOM 831 CG1 VAL A 57 -0.845 1.254 6.124 1.00 0.00 C ATOM 832 CG2 VAL A 57 -0.158 0.086 4.019 1.00 0.00 C ATOM 0 H VAL A 57 2.414 -0.187 4.919 1.00 0.00 H new ATOM 0 HA VAL A 57 0.728 -0.464 7.305 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.224 -0.789 5.642 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.729 1.625 5.605 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.078 1.109 7.179 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.037 1.979 6.027 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.054 0.472 3.534 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.667 0.781 3.862 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.098 -0.883 3.591 1.00 0.00 H new ATOM 842 N LYS A 58 0.045 -2.897 6.522 1.00 0.00 N ATOM 843 CA LYS A 58 0.049 -4.349 6.336 1.00 0.00 C ATOM 844 C LYS A 58 -1.015 -4.762 5.320 1.00 0.00 C ATOM 845 O LYS A 58 -2.169 -4.337 5.409 1.00 0.00 O ATOM 846 CB LYS A 58 -0.182 -5.074 7.666 1.00 0.00 C ATOM 847 CG LYS A 58 -1.163 -4.371 8.595 1.00 0.00 C ATOM 848 CD LYS A 58 -1.313 -5.110 9.916 1.00 0.00 C ATOM 849 CE LYS A 58 0.025 -5.255 10.628 1.00 0.00 C ATOM 850 NZ LYS A 58 -0.126 -5.308 12.111 1.00 0.00 N ATOM 0 H LYS A 58 -0.713 -2.551 7.110 1.00 0.00 H new ATOM 0 HA LYS A 58 1.029 -4.636 5.955 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.550 -6.079 7.460 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.774 -5.183 8.179 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.820 -3.354 8.784 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.135 -4.295 8.108 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.012 -4.573 10.558 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.740 -6.097 9.736 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.521 -6.162 10.283 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.669 -4.418 10.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.811 -5.407 12.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.575 -4.432 12.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.719 -6.122 12.371 1.00 0.00 H new ATOM 864 N VAL A 59 -0.612 -5.582 4.351 1.00 0.00 N ATOM 865 CA VAL A 59 -1.519 -6.049 3.304 1.00 0.00 C ATOM 866 C VAL A 59 -1.501 -7.574 3.195 1.00 0.00 C ATOM 867 O VAL A 59 -0.450 -8.201 3.335 1.00 0.00 O ATOM 868 CB VAL A 59 -1.145 -5.438 1.933 1.00 0.00 C ATOM 869 CG1 VAL A 59 -2.231 -5.702 0.901 1.00 0.00 C ATOM 870 CG2 VAL A 59 -0.889 -3.943 2.060 1.00 0.00 C ATOM 0 H VAL A 59 0.340 -5.938 4.269 1.00 0.00 H new ATOM 0 HA VAL A 59 -2.522 -5.724 3.581 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.228 -5.920 1.594 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.941 -5.261 -0.053 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.363 -6.777 0.779 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.168 -5.257 1.237 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.628 -3.534 1.084 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.788 -3.450 2.431 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.068 -3.772 2.756 1.00 0.00 H new ATOM 880 N LEU A 60 -2.670 -8.166 2.941 1.00 0.00 N ATOM 881 CA LEU A 60 -2.786 -9.617 2.808 1.00 0.00 C ATOM 882 C LEU A 60 -2.680 -10.031 1.339 1.00 0.00 C ATOM 883 O LEU A 60 -3.455 -9.570 0.498 1.00 0.00 O ATOM 884 CB LEU A 60 -4.111 -10.108 3.405 1.00 0.00 C ATOM 885 CG LEU A 60 -4.325 -9.765 4.883 1.00 0.00 C ATOM 886 CD1 LEU A 60 -5.811 -9.718 5.214 1.00 0.00 C ATOM 887 CD2 LEU A 60 -3.608 -10.769 5.776 1.00 0.00 C ATOM 0 H LEU A 60 -3.549 -7.662 2.824 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.966 -10.078 3.358 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.932 -9.683 2.827 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.165 -11.190 3.288 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.902 -8.778 5.069 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.941 -9.473 6.268 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.296 -8.958 4.602 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.260 -10.690 5.009 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.772 -10.508 6.822 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.998 -11.769 5.586 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.540 -10.750 5.561 1.00 0.00 H new ATOM 899 N ARG A 61 -1.706 -10.894 1.039 1.00 0.00 N ATOM 900 CA ARG A 61 -1.477 -11.370 -0.330 1.00 0.00 C ATOM 901 C ARG A 61 -2.678 -12.157 -0.863 1.00 0.00 C ATOM 902 O ARG A 61 -3.089 -13.153 -0.266 1.00 0.00 O ATOM 903 CB ARG A 61 -0.223 -12.246 -0.382 1.00 0.00 C ATOM 904 CG ARG A 61 0.746 -11.854 -1.485 1.00 0.00 C ATOM 905 CD ARG A 61 2.043 -12.644 -1.399 1.00 0.00 C ATOM 906 NE ARG A 61 1.850 -14.062 -1.710 1.00 0.00 N ATOM 907 CZ ARG A 61 1.756 -14.553 -2.949 1.00 0.00 C ATOM 908 NH1 ARG A 61 1.824 -13.746 -4.006 1.00 0.00 N ATOM 909 NH2 ARG A 61 1.589 -15.859 -3.132 1.00 0.00 N ATOM 0 H ARG A 61 -1.060 -11.279 1.728 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.338 -10.494 -0.964 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.290 -12.189 0.578 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.521 -13.285 -0.524 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.280 -12.023 -2.456 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.964 -10.788 -1.417 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.772 -12.219 -2.089 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.459 -12.547 -0.396 1.00 0.00 H new ATOM 0 HE ARG A 61 1.783 -14.717 -0.931 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.949 -12.742 -3.874 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.751 -14.132 -4.948 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.533 -16.484 -2.328 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.517 -16.236 -4.077 1.00 0.00 H new ATOM 923 N LEU A 62 -3.223 -11.704 -1.999 1.00 0.00 N ATOM 924 CA LEU A 62 -4.373 -12.355 -2.637 1.00 0.00 C ATOM 925 C LEU A 62 -5.476 -12.660 -1.620 1.00 0.00 C ATOM 926 O LEU A 62 -5.684 -13.819 -1.256 1.00 0.00 O ATOM 927 CB LEU A 62 -3.934 -13.643 -3.345 1.00 0.00 C ATOM 928 CG LEU A 62 -3.155 -13.441 -4.648 1.00 0.00 C ATOM 929 CD1 LEU A 62 -2.002 -14.431 -4.738 1.00 0.00 C ATOM 930 CD2 LEU A 62 -4.083 -13.582 -5.847 1.00 0.00 C ATOM 0 H LEU A 62 -2.882 -10.882 -2.498 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.778 -11.664 -3.377 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.317 -14.223 -2.659 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.820 -14.240 -3.560 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.739 -12.433 -4.653 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.459 -14.274 -5.670 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.327 -14.281 -3.895 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.393 -15.448 -4.713 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.515 -13.436 -6.766 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.526 -14.578 -5.849 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.873 -12.833 -5.786 1.00 0.00 H new ATOM 942 N ILE A 63 -6.167 -11.601 -1.170 1.00 0.00 N ATOM 943 CA ILE A 63 -7.258 -11.706 -0.183 1.00 0.00 C ATOM 944 C ILE A 63 -6.810 -12.424 1.104 1.00 0.00 C ATOM 945 O ILE A 63 -5.758 -13.064 1.142 1.00 0.00 O ATOM 946 CB ILE A 63 -8.517 -12.398 -0.784 1.00 0.00 C ATOM 947 CG1 ILE A 63 -9.757 -12.121 0.079 1.00 0.00 C ATOM 948 CG2 ILE A 63 -8.312 -13.899 -0.945 1.00 0.00 C ATOM 949 CD1 ILE A 63 -11.067 -12.212 -0.681 1.00 0.00 C ATOM 0 H ILE A 63 -5.986 -10.646 -1.479 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.528 -10.684 0.084 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.677 -11.974 -1.775 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.778 -12.831 0.906 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.669 -11.126 0.515 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.212 -14.346 -1.367 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.469 -14.082 -1.612 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.108 -14.345 0.028 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -11.896 -12.004 -0.004 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -11.069 -11.483 -1.492 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -11.179 -13.214 -1.094 1.00 0.00 H new ATOM 961 N LYS A 64 -7.613 -12.303 2.166 1.00 0.00 N ATOM 962 CA LYS A 64 -7.297 -12.936 3.446 1.00 0.00 C ATOM 963 C LYS A 64 -7.119 -14.448 3.280 1.00 0.00 C ATOM 964 O LYS A 64 -6.183 -15.032 3.830 1.00 0.00 O ATOM 965 CB LYS A 64 -8.402 -12.653 4.474 1.00 0.00 C ATOM 966 CG LYS A 64 -8.113 -13.213 5.862 1.00 0.00 C ATOM 967 CD LYS A 64 -8.504 -14.682 5.970 1.00 0.00 C ATOM 968 CE LYS A 64 -9.073 -15.012 7.342 1.00 0.00 C ATOM 969 NZ LYS A 64 -8.009 -15.113 8.381 1.00 0.00 N ATOM 0 H LYS A 64 -8.485 -11.773 2.163 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.359 -12.512 3.805 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.546 -11.575 4.551 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.339 -13.075 4.111 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.052 -13.101 6.086 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.659 -12.635 6.608 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.241 -14.920 5.203 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.631 -15.306 5.778 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -9.790 -14.243 7.631 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -9.619 -15.954 7.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.441 -15.339 9.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.339 -15.864 8.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.504 -14.207 8.450 1.00 0.00 H new ATOM 983 N GLY A 65 -8.028 -15.070 2.523 1.00 0.00 N ATOM 984 CA GLY A 65 -7.966 -16.506 2.296 1.00 0.00 C ATOM 985 C GLY A 65 -9.232 -17.052 1.651 1.00 0.00 C ATOM 986 O GLY A 65 -9.164 -17.854 0.717 1.00 0.00 O ATOM 0 H GLY A 65 -8.808 -14.601 2.063 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.111 -16.733 1.659 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.799 -17.013 3.246 1.00 0.00 H new ATOM 990 N GLY A 66 -10.389 -16.610 2.150 1.00 0.00 N ATOM 991 CA GLY A 66 -11.664 -17.056 1.610 1.00 0.00 C ATOM 992 C GLY A 66 -12.746 -15.999 1.737 1.00 0.00 C ATOM 993 O GLY A 66 -13.691 -16.208 2.526 1.00 0.00 O ATOM 0 H GLY A 66 -10.464 -15.948 2.922 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -11.539 -17.320 0.560 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -11.980 -17.960 2.130 1.00 0.00 H new TER 997 GLY A 66