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 Single : A 1 MET CE :methyl 176:sc= 0 (180deg=-0.0238) USER MOD Single : A 1 MET N :NH3+ -169:sc= 0 (180deg=-0.0871) USER MOD Single : A 2 ASN : amide:sc= -0.377 X(o=-0.38,f=-0.19) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= -0.323 USER MOD Single : A 22 THR OG1 : rot 70:sc= -0.491 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.5 X(o=-0.5,f=-0.47) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0589 USER MOD Single : A 50 GLN : amide:sc= -0.161 K(o=-0.16,f=-1.3) 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 -8.146 0.885 -4.309 1.00 0.00 N ATOM 2 CA MET A 1 -7.612 -0.492 -4.483 1.00 0.00 C ATOM 3 C MET A 1 -6.425 -0.747 -3.555 1.00 0.00 C ATOM 4 O MET A 1 -5.289 -0.386 -3.867 1.00 0.00 O ATOM 5 CB MET A 1 -7.197 -0.678 -5.945 1.00 0.00 C ATOM 6 CG MET A 1 -7.002 -2.131 -6.346 1.00 0.00 C ATOM 7 SD MET A 1 -8.413 -2.797 -7.250 1.00 0.00 S ATOM 8 CE MET A 1 -7.935 -4.515 -7.411 1.00 0.00 C ATOM 0 H1 MET A 1 -9.055 0.970 -4.807 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.286 1.078 -3.297 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.471 1.571 -4.702 1.00 0.00 H new ATOM 0 HA MET A 1 -8.389 -1.211 -4.223 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.956 -0.232 -6.588 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.269 -0.134 -6.122 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.107 -2.217 -6.962 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.832 -2.731 -5.452 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.741 -5.074 -7.887 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.034 -4.586 -8.021 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.739 -4.932 -6.423 1.00 0.00 H new ATOM 20 N ASN A 2 -6.699 -1.377 -2.413 1.00 0.00 N ATOM 21 CA ASN A 2 -5.661 -1.690 -1.437 1.00 0.00 C ATOM 22 C ASN A 2 -5.035 -3.049 -1.739 1.00 0.00 C ATOM 23 O ASN A 2 -5.741 -4.011 -2.048 1.00 0.00 O ATOM 24 CB ASN A 2 -6.236 -1.688 -0.018 1.00 0.00 C ATOM 25 CG ASN A 2 -6.150 -0.325 0.646 1.00 0.00 C ATOM 26 OD1 ASN A 2 -5.462 -0.155 1.652 1.00 0.00 O ATOM 27 ND2 ASN A 2 -6.850 0.656 0.086 1.00 0.00 N ATOM 0 H ASN A 2 -7.634 -1.681 -2.142 1.00 0.00 H new ATOM 0 HA ASN A 2 -4.890 -0.922 -1.505 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -7.278 -2.006 -0.052 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -5.699 -2.418 0.588 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -6.829 1.592 0.490 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -7.408 0.473 -0.748 1.00 0.00 H new ATOM 34 N VAL A 3 -3.710 -3.117 -1.645 1.00 0.00 N ATOM 35 CA VAL A 3 -2.985 -4.355 -1.905 1.00 0.00 C ATOM 36 C VAL A 3 -2.563 -5.026 -0.602 1.00 0.00 C ATOM 37 O VAL A 3 -2.142 -4.359 0.344 1.00 0.00 O ATOM 38 CB VAL A 3 -1.735 -4.118 -2.784 1.00 0.00 C ATOM 39 CG1 VAL A 3 -2.139 -3.683 -4.185 1.00 0.00 C ATOM 40 CG2 VAL A 3 -0.802 -3.094 -2.149 1.00 0.00 C ATOM 0 H VAL A 3 -3.117 -2.327 -1.390 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.669 -5.009 -2.445 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.194 -5.061 -2.859 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.245 -3.521 -4.788 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.751 -4.459 -4.645 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.710 -2.757 -4.128 1.00 0.00 H new ATOM 0 HG21 VAL A 3 0.068 -2.948 -2.789 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.328 -2.147 -2.030 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.477 -3.454 -1.173 1.00 0.00 H new ATOM 50 N THR A 4 -2.679 -6.353 -0.563 1.00 0.00 N ATOM 51 CA THR A 4 -2.310 -7.116 0.624 1.00 0.00 C ATOM 52 C THR A 4 -0.794 -7.204 0.747 1.00 0.00 C ATOM 53 O THR A 4 -0.119 -7.761 -0.124 1.00 0.00 O ATOM 54 CB THR A 4 -2.919 -8.521 0.573 1.00 0.00 C ATOM 55 OG1 THR A 4 -4.289 -8.461 0.220 1.00 0.00 O ATOM 56 CG2 THR A 4 -2.813 -9.271 1.885 1.00 0.00 C ATOM 0 H THR A 4 -3.025 -6.919 -1.338 1.00 0.00 H new ATOM 0 HA THR A 4 -2.704 -6.600 1.500 1.00 0.00 H new ATOM 0 HB THR A 4 -2.341 -9.058 -0.179 1.00 0.00 H new ATOM 0 HG1 THR A 4 -4.659 -9.368 0.191 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.264 -10.258 1.778 1.00 0.00 H new ATOM 0 HG22 THR A 4 -1.763 -9.379 2.158 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.336 -8.716 2.664 1.00 0.00 H new ATOM 64 N VAL A 5 -0.267 -6.642 1.830 1.00 0.00 N ATOM 65 CA VAL A 5 1.169 -6.638 2.074 1.00 0.00 C ATOM 66 C VAL A 5 1.509 -7.396 3.355 1.00 0.00 C ATOM 67 O VAL A 5 0.823 -7.257 4.371 1.00 0.00 O ATOM 68 CB VAL A 5 1.709 -5.196 2.172 1.00 0.00 C ATOM 69 CG1 VAL A 5 1.689 -4.527 0.806 1.00 0.00 C ATOM 70 CG2 VAL A 5 0.899 -4.384 3.173 1.00 0.00 C ATOM 0 H VAL A 5 -0.817 -6.182 2.555 1.00 0.00 H new ATOM 0 HA VAL A 5 1.644 -7.138 1.230 1.00 0.00 H new ATOM 0 HB VAL A 5 2.740 -5.240 2.522 1.00 0.00 H new ATOM 0 HG11 VAL A 5 2.073 -3.511 0.893 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.313 -5.093 0.115 1.00 0.00 H new ATOM 0 HG13 VAL A 5 0.666 -4.497 0.430 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.297 -3.371 3.226 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.143 -4.349 2.855 1.00 0.00 H new ATOM 0 HG23 VAL A 5 0.962 -4.851 4.156 1.00 0.00 H new ATOM 80 N GLU A 6 2.566 -8.199 3.302 1.00 0.00 N ATOM 81 CA GLU A 6 2.986 -8.978 4.460 1.00 0.00 C ATOM 82 C GLU A 6 3.804 -8.125 5.419 1.00 0.00 C ATOM 83 O GLU A 6 4.905 -7.674 5.089 1.00 0.00 O ATOM 84 CB GLU A 6 3.795 -10.197 4.018 1.00 0.00 C ATOM 85 CG GLU A 6 3.586 -11.421 4.896 1.00 0.00 C ATOM 86 CD GLU A 6 4.881 -12.144 5.226 1.00 0.00 C ATOM 87 OE1 GLU A 6 5.752 -12.239 4.335 1.00 0.00 O ATOM 88 OE2 GLU A 6 5.021 -12.614 6.374 1.00 0.00 O ATOM 0 H GLU A 6 3.146 -8.327 2.472 1.00 0.00 H new ATOM 0 HA GLU A 6 2.092 -9.320 4.981 1.00 0.00 H new ATOM 0 HB2 GLU A 6 3.527 -10.447 2.992 1.00 0.00 H new ATOM 0 HB3 GLU A 6 4.854 -9.938 4.017 1.00 0.00 H new ATOM 0 HG2 GLU A 6 3.100 -11.117 5.823 1.00 0.00 H new ATOM 0 HG3 GLU A 6 2.909 -12.111 4.392 1.00 0.00 H new ATOM 95 N VAL A 7 3.256 -7.908 6.610 1.00 0.00 N ATOM 96 CA VAL A 7 3.919 -7.112 7.635 1.00 0.00 C ATOM 97 C VAL A 7 4.867 -7.975 8.457 1.00 0.00 C ATOM 98 O VAL A 7 4.508 -9.075 8.880 1.00 0.00 O ATOM 99 CB VAL A 7 2.899 -6.438 8.580 1.00 0.00 C ATOM 100 CG1 VAL A 7 3.600 -5.489 9.541 1.00 0.00 C ATOM 101 CG2 VAL A 7 1.831 -5.703 7.783 1.00 0.00 C ATOM 0 H VAL A 7 2.347 -8.276 6.890 1.00 0.00 H new ATOM 0 HA VAL A 7 4.485 -6.335 7.121 1.00 0.00 H new ATOM 0 HB VAL A 7 2.412 -7.218 9.166 1.00 0.00 H new ATOM 0 HG11 VAL A 7 2.863 -5.026 10.197 1.00 0.00 H new ATOM 0 HG12 VAL A 7 4.321 -6.045 10.141 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.119 -4.716 8.975 1.00 0.00 H new ATOM 0 HG21 VAL A 7 1.123 -5.236 8.468 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.300 -4.936 7.167 1.00 0.00 H new ATOM 0 HG23 VAL A 7 1.304 -6.410 7.143 1.00 0.00 H new ATOM 111 N VAL A 8 6.078 -7.472 8.679 1.00 0.00 N ATOM 112 CA VAL A 8 7.080 -8.204 9.450 1.00 0.00 C ATOM 113 C VAL A 8 6.553 -8.545 10.843 1.00 0.00 C ATOM 114 O VAL A 8 6.192 -7.658 11.617 1.00 0.00 O ATOM 115 CB VAL A 8 8.392 -7.396 9.588 1.00 0.00 C ATOM 116 CG1 VAL A 8 9.476 -8.239 10.248 1.00 0.00 C ATOM 117 CG2 VAL A 8 8.858 -6.890 8.231 1.00 0.00 C ATOM 0 H VAL A 8 6.389 -6.563 8.337 1.00 0.00 H new ATOM 0 HA VAL A 8 7.290 -9.125 8.906 1.00 0.00 H new ATOM 0 HB VAL A 8 8.195 -6.533 10.224 1.00 0.00 H new ATOM 0 HG11 VAL A 8 10.390 -7.652 10.336 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.145 -8.545 11.240 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.669 -9.123 9.641 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.782 -6.324 8.351 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.035 -7.737 7.568 1.00 0.00 H new ATOM 0 HG23 VAL A 8 8.092 -6.246 7.800 1.00 0.00 H new ATOM 127 N GLY A 9 6.505 -9.841 11.149 1.00 0.00 N ATOM 128 CA GLY A 9 6.015 -10.291 12.438 1.00 0.00 C ATOM 129 C GLY A 9 4.750 -11.119 12.314 1.00 0.00 C ATOM 130 O GLY A 9 4.774 -12.216 11.750 1.00 0.00 O ATOM 0 H GLY A 9 6.799 -10.589 10.521 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.787 -10.882 12.932 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.820 -9.426 13.073 1.00 0.00 H new ATOM 134 N GLU A 10 3.642 -10.596 12.839 1.00 0.00 N ATOM 135 CA GLU A 10 2.364 -11.295 12.780 1.00 0.00 C ATOM 136 C GLU A 10 1.302 -10.469 12.052 1.00 0.00 C ATOM 137 O GLU A 10 1.419 -9.245 11.943 1.00 0.00 O ATOM 138 CB GLU A 10 1.878 -11.646 14.194 1.00 0.00 C ATOM 139 CG GLU A 10 1.837 -10.463 15.155 1.00 0.00 C ATOM 140 CD GLU A 10 3.184 -10.161 15.789 1.00 0.00 C ATOM 141 OE1 GLU A 10 3.860 -11.113 16.239 1.00 0.00 O ATOM 142 OE2 GLU A 10 3.563 -8.973 15.837 1.00 0.00 O ATOM 0 H GLU A 10 3.606 -9.691 13.309 1.00 0.00 H new ATOM 0 HA GLU A 10 2.520 -12.215 12.216 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.880 -12.078 14.126 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.530 -12.414 14.609 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.488 -9.580 14.619 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.110 -10.667 15.941 1.00 0.00 H new ATOM 149 N GLU A 11 0.262 -11.153 11.562 1.00 0.00 N ATOM 150 CA GLU A 11 -0.845 -10.507 10.849 1.00 0.00 C ATOM 151 C GLU A 11 -0.395 -9.914 9.513 1.00 0.00 C ATOM 152 O GLU A 11 0.799 -9.728 9.268 1.00 0.00 O ATOM 153 CB GLU A 11 -1.483 -9.415 11.712 1.00 0.00 C ATOM 154 CG GLU A 11 -2.488 -9.941 12.730 1.00 0.00 C ATOM 155 CD GLU A 11 -2.288 -9.356 14.118 1.00 0.00 C ATOM 156 OE1 GLU A 11 -1.918 -8.166 14.218 1.00 0.00 O ATOM 157 OE2 GLU A 11 -2.505 -10.089 15.105 1.00 0.00 O ATOM 0 H GLU A 11 0.164 -12.165 11.648 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.585 -11.280 10.643 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.696 -8.875 12.239 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.982 -8.696 11.062 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.497 -9.713 12.387 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.408 -11.027 12.784 1.00 0.00 H new ATOM 164 N THR A 12 -1.371 -9.616 8.655 1.00 0.00 N ATOM 165 CA THR A 12 -1.105 -9.037 7.339 1.00 0.00 C ATOM 166 C THR A 12 -1.924 -7.761 7.140 1.00 0.00 C ATOM 167 O THR A 12 -3.117 -7.728 7.446 1.00 0.00 O ATOM 168 CB THR A 12 -1.433 -10.048 6.235 1.00 0.00 C ATOM 169 OG1 THR A 12 -0.825 -11.300 6.499 1.00 0.00 O ATOM 170 CG2 THR A 12 -0.977 -9.602 4.862 1.00 0.00 C ATOM 0 H THR A 12 -2.360 -9.768 8.851 1.00 0.00 H new ATOM 0 HA THR A 12 -0.046 -8.785 7.283 1.00 0.00 H new ATOM 0 HB THR A 12 -2.520 -10.129 6.235 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.049 -11.930 5.783 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.240 -10.362 4.127 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.466 -8.663 4.603 1.00 0.00 H new ATOM 0 HG23 THR A 12 0.104 -9.459 4.866 1.00 0.00 H new ATOM 178 N SER A 13 -1.275 -6.715 6.633 1.00 0.00 N ATOM 179 CA SER A 13 -1.938 -5.433 6.400 1.00 0.00 C ATOM 180 C SER A 13 -2.088 -5.148 4.908 1.00 0.00 C ATOM 181 O SER A 13 -1.421 -5.766 4.078 1.00 0.00 O ATOM 182 CB SER A 13 -1.157 -4.299 7.068 1.00 0.00 C ATOM 183 OG SER A 13 -1.127 -4.460 8.476 1.00 0.00 O ATOM 0 H SER A 13 -0.288 -6.730 6.375 1.00 0.00 H new ATOM 0 HA SER A 13 -2.934 -5.491 6.839 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.139 -4.277 6.680 1.00 0.00 H new ATOM 0 HB3 SER A 13 -1.615 -3.342 6.818 1.00 0.00 H new ATOM 0 HG SER A 13 -0.621 -3.724 8.879 1.00 0.00 H new ATOM 189 N GLU A 14 -2.970 -4.207 4.574 1.00 0.00 N ATOM 190 CA GLU A 14 -3.206 -3.834 3.181 1.00 0.00 C ATOM 191 C GLU A 14 -3.005 -2.334 2.986 1.00 0.00 C ATOM 192 O GLU A 14 -3.469 -1.529 3.794 1.00 0.00 O ATOM 193 CB GLU A 14 -4.617 -4.242 2.747 1.00 0.00 C ATOM 194 CG GLU A 14 -4.975 -5.676 3.114 1.00 0.00 C ATOM 195 CD GLU A 14 -6.472 -5.909 3.167 1.00 0.00 C ATOM 196 OE1 GLU A 14 -7.091 -6.043 2.090 1.00 0.00 O ATOM 197 OE2 GLU A 14 -7.025 -5.961 4.286 1.00 0.00 O ATOM 0 H GLU A 14 -3.533 -3.689 5.249 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.485 -4.364 2.559 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.339 -3.567 3.206 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.706 -4.118 1.668 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.531 -6.355 2.386 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.539 -5.919 4.083 1.00 0.00 H new ATOM 204 N VAL A 15 -2.299 -1.965 1.918 1.00 0.00 N ATOM 205 CA VAL A 15 -2.023 -0.559 1.627 1.00 0.00 C ATOM 206 C VAL A 15 -2.371 -0.210 0.180 1.00 0.00 C ATOM 207 O VAL A 15 -2.277 -1.052 -0.713 1.00 0.00 O ATOM 208 CB VAL A 15 -0.539 -0.212 1.893 1.00 0.00 C ATOM 209 CG1 VAL A 15 -0.310 1.292 1.827 1.00 0.00 C ATOM 210 CG2 VAL A 15 -0.088 -0.763 3.239 1.00 0.00 C ATOM 0 H VAL A 15 -1.908 -2.620 1.240 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.652 0.031 2.294 1.00 0.00 H new ATOM 0 HB VAL A 15 0.060 -0.681 1.112 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.741 1.509 2.018 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.582 1.658 0.837 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.925 1.787 2.579 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.958 -0.507 3.405 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.698 -0.330 4.032 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.202 -1.847 3.245 1.00 0.00 H new ATOM 220 N ALA A 16 -2.773 1.041 -0.041 1.00 0.00 N ATOM 221 CA ALA A 16 -3.136 1.509 -1.377 1.00 0.00 C ATOM 222 C ALA A 16 -1.911 2.016 -2.135 1.00 0.00 C ATOM 223 O ALA A 16 -1.156 2.846 -1.627 1.00 0.00 O ATOM 224 CB ALA A 16 -4.191 2.602 -1.290 1.00 0.00 C ATOM 0 H ALA A 16 -2.855 1.749 0.689 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.550 0.664 -1.927 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.450 2.939 -2.294 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.081 2.210 -0.798 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.799 3.441 -0.715 1.00 0.00 H new ATOM 230 N VAL A 17 -1.720 1.508 -3.349 1.00 0.00 N ATOM 231 CA VAL A 17 -0.583 1.904 -4.181 1.00 0.00 C ATOM 232 C VAL A 17 -1.045 2.599 -5.464 1.00 0.00 C ATOM 233 O VAL A 17 -2.212 2.504 -5.846 1.00 0.00 O ATOM 234 CB VAL A 17 0.286 0.685 -4.558 1.00 0.00 C ATOM 235 CG1 VAL A 17 1.095 0.212 -3.359 1.00 0.00 C ATOM 236 CG2 VAL A 17 -0.577 -0.445 -5.107 1.00 0.00 C ATOM 0 H VAL A 17 -2.337 0.820 -3.781 1.00 0.00 H new ATOM 0 HA VAL A 17 0.010 2.601 -3.590 1.00 0.00 H new ATOM 0 HB VAL A 17 0.981 0.991 -5.340 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.701 -0.648 -3.645 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.746 1.017 -3.019 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.419 -0.073 -2.553 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.056 -1.294 -5.366 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.301 -0.750 -4.351 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.104 -0.101 -5.997 1.00 0.00 H new ATOM 246 N ASP A 18 -0.116 3.291 -6.127 1.00 0.00 N ATOM 247 CA ASP A 18 -0.420 3.996 -7.377 1.00 0.00 C ATOM 248 C ASP A 18 -0.437 3.038 -8.574 1.00 0.00 C ATOM 249 O ASP A 18 -0.927 3.396 -9.646 1.00 0.00 O ATOM 250 CB ASP A 18 0.595 5.118 -7.628 1.00 0.00 C ATOM 251 CG ASP A 18 2.032 4.649 -7.502 1.00 0.00 C ATOM 252 OD1 ASP A 18 2.464 3.827 -8.336 1.00 0.00 O ATOM 253 OD2 ASP A 18 2.725 5.104 -6.566 1.00 0.00 O ATOM 0 H ASP A 18 0.853 3.379 -5.820 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.414 4.429 -7.270 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.437 5.528 -8.626 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.418 5.927 -6.919 1.00 0.00 H new ATOM 258 N ASP A 19 0.106 1.829 -8.392 1.00 0.00 N ATOM 259 CA ASP A 19 0.159 0.832 -9.468 1.00 0.00 C ATOM 260 C ASP A 19 -1.226 0.571 -10.067 1.00 0.00 C ATOM 261 O ASP A 19 -1.353 0.342 -11.272 1.00 0.00 O ATOM 262 CB ASP A 19 0.757 -0.482 -8.952 1.00 0.00 C ATOM 263 CG ASP A 19 1.662 -1.151 -9.971 1.00 0.00 C ATOM 264 OD1 ASP A 19 2.565 -0.471 -10.505 1.00 0.00 O ATOM 265 OD2 ASP A 19 1.468 -2.356 -10.236 1.00 0.00 O ATOM 0 H ASP A 19 0.515 1.517 -7.511 1.00 0.00 H new ATOM 0 HA ASP A 19 0.797 1.236 -10.254 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.323 -0.286 -8.041 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -0.050 -1.164 -8.685 1.00 0.00 H new ATOM 270 N ASP A 20 -2.260 0.609 -9.226 1.00 0.00 N ATOM 271 CA ASP A 20 -3.630 0.376 -9.684 1.00 0.00 C ATOM 272 C ASP A 20 -4.205 1.628 -10.352 1.00 0.00 C ATOM 273 O ASP A 20 -4.824 1.542 -11.414 1.00 0.00 O ATOM 274 CB ASP A 20 -4.532 -0.068 -8.520 1.00 0.00 C ATOM 275 CG ASP A 20 -4.252 0.679 -7.227 1.00 0.00 C ATOM 276 OD1 ASP A 20 -4.683 1.845 -7.112 1.00 0.00 O ATOM 277 OD2 ASP A 20 -3.607 0.095 -6.331 1.00 0.00 O ATOM 0 H ASP A 20 -2.176 0.798 -8.227 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.600 -0.426 -10.422 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.575 0.081 -8.800 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.397 -1.136 -8.351 1.00 0.00 H new ATOM 282 N GLY A 21 -3.999 2.790 -9.726 1.00 0.00 N ATOM 283 CA GLY A 21 -4.508 4.030 -10.287 1.00 0.00 C ATOM 284 C GLY A 21 -5.950 4.301 -9.893 1.00 0.00 C ATOM 285 O GLY A 21 -6.684 4.966 -10.629 1.00 0.00 O ATOM 0 H GLY A 21 -3.492 2.891 -8.847 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -3.883 4.859 -9.955 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -4.433 3.990 -11.374 1.00 0.00 H new ATOM 289 N THR A 22 -6.363 3.773 -8.741 1.00 0.00 N ATOM 290 CA THR A 22 -7.732 3.947 -8.262 1.00 0.00 C ATOM 291 C THR A 22 -7.867 5.204 -7.399 1.00 0.00 C ATOM 292 O THR A 22 -6.880 5.887 -7.120 1.00 0.00 O ATOM 293 CB THR A 22 -8.180 2.703 -7.474 1.00 0.00 C ATOM 294 OG1 THR A 22 -7.409 1.565 -7.829 1.00 0.00 O ATOM 295 CG2 THR A 22 -9.634 2.348 -7.695 1.00 0.00 C ATOM 0 H THR A 22 -5.768 3.221 -8.123 1.00 0.00 H new ATOM 0 HA THR A 22 -8.380 4.070 -9.130 1.00 0.00 H new ATOM 0 HB THR A 22 -8.034 2.966 -6.426 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.494 1.672 -7.494 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.885 1.462 -7.111 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.264 3.180 -7.381 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.802 2.145 -8.753 1.00 0.00 H new ATOM 303 N TYR A 23 -9.102 5.502 -6.985 1.00 0.00 N ATOM 304 CA TYR A 23 -9.384 6.679 -6.159 1.00 0.00 C ATOM 305 C TYR A 23 -8.569 6.665 -4.864 1.00 0.00 C ATOM 306 O TYR A 23 -8.179 7.719 -4.360 1.00 0.00 O ATOM 307 CB TYR A 23 -10.880 6.762 -5.828 1.00 0.00 C ATOM 308 CG TYR A 23 -11.440 5.510 -5.184 1.00 0.00 C ATOM 309 CD1 TYR A 23 -11.362 5.315 -3.811 1.00 0.00 C ATOM 310 CD2 TYR A 23 -12.043 4.523 -5.954 1.00 0.00 C ATOM 311 CE1 TYR A 23 -11.871 4.174 -3.223 1.00 0.00 C ATOM 312 CE2 TYR A 23 -12.556 3.380 -5.373 1.00 0.00 C ATOM 313 CZ TYR A 23 -12.467 3.210 -4.009 1.00 0.00 C ATOM 314 OH TYR A 23 -12.976 2.069 -3.428 1.00 0.00 O ATOM 0 H TYR A 23 -9.925 4.942 -7.209 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.095 7.557 -6.736 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -11.047 7.607 -5.161 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -11.434 6.965 -6.745 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -10.896 6.068 -3.193 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -12.112 4.652 -7.024 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.803 4.037 -2.154 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -13.025 2.623 -5.985 1.00 0.00 H new ATOM 0 HH TYR A 23 -13.362 1.493 -4.121 1.00 0.00 H new ATOM 324 N ALA A 24 -8.312 5.468 -4.337 1.00 0.00 N ATOM 325 CA ALA A 24 -7.539 5.318 -3.107 1.00 0.00 C ATOM 326 C ALA A 24 -6.159 5.965 -3.241 1.00 0.00 C ATOM 327 O ALA A 24 -5.664 6.588 -2.299 1.00 0.00 O ATOM 328 CB ALA A 24 -7.398 3.846 -2.750 1.00 0.00 C ATOM 0 H ALA A 24 -8.629 4.588 -4.744 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.075 5.827 -2.306 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.820 3.748 -1.831 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.387 3.411 -2.605 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.886 3.323 -3.558 1.00 0.00 H new ATOM 334 N ASP A 25 -5.546 5.816 -4.416 1.00 0.00 N ATOM 335 CA ASP A 25 -4.227 6.393 -4.669 1.00 0.00 C ATOM 336 C ASP A 25 -4.276 7.920 -4.612 1.00 0.00 C ATOM 337 O ASP A 25 -3.375 8.555 -4.064 1.00 0.00 O ATOM 338 CB ASP A 25 -3.693 5.938 -6.031 1.00 0.00 C ATOM 339 CG ASP A 25 -2.315 6.499 -6.327 1.00 0.00 C ATOM 340 OD1 ASP A 25 -1.424 6.386 -5.456 1.00 0.00 O ATOM 341 OD2 ASP A 25 -2.125 7.054 -7.429 1.00 0.00 O ATOM 0 H ASP A 25 -5.941 5.303 -5.204 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.553 6.040 -3.888 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.653 4.849 -6.057 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.385 6.250 -6.813 1.00 0.00 H new ATOM 346 N LEU A 26 -5.338 8.499 -5.177 1.00 0.00 N ATOM 347 CA LEU A 26 -5.510 9.952 -5.185 1.00 0.00 C ATOM 348 C LEU A 26 -5.491 10.508 -3.760 1.00 0.00 C ATOM 349 O LEU A 26 -4.907 11.561 -3.505 1.00 0.00 O ATOM 350 CB LEU A 26 -6.830 10.326 -5.876 1.00 0.00 C ATOM 351 CG LEU A 26 -6.790 11.582 -6.755 1.00 0.00 C ATOM 352 CD1 LEU A 26 -6.437 12.810 -5.928 1.00 0.00 C ATOM 353 CD2 LEU A 26 -5.806 11.405 -7.903 1.00 0.00 C ATOM 0 H LEU A 26 -6.090 7.984 -5.634 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.680 10.391 -5.739 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.147 9.484 -6.492 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.593 10.466 -5.110 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.784 11.732 -7.178 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.415 13.689 -6.573 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.186 12.951 -5.148 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.458 12.671 -5.470 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.793 12.308 -8.514 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.809 11.224 -7.503 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.111 10.556 -8.516 1.00 0.00 H new ATOM 365 N VAL A 27 -6.126 9.784 -2.837 1.00 0.00 N ATOM 366 CA VAL A 27 -6.179 10.197 -1.436 1.00 0.00 C ATOM 367 C VAL A 27 -4.793 10.129 -0.792 1.00 0.00 C ATOM 368 O VAL A 27 -4.337 11.096 -0.181 1.00 0.00 O ATOM 369 CB VAL A 27 -7.161 9.327 -0.620 1.00 0.00 C ATOM 370 CG1 VAL A 27 -7.347 9.897 0.777 1.00 0.00 C ATOM 371 CG2 VAL A 27 -8.503 9.204 -1.331 1.00 0.00 C ATOM 0 H VAL A 27 -6.611 8.909 -3.036 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.534 11.228 -1.425 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.733 8.328 -0.532 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -8.042 9.270 1.336 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -6.386 9.921 1.291 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -7.746 10.909 0.707 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -9.175 8.587 -0.735 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -8.939 10.195 -1.460 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -8.356 8.742 -2.308 1.00 0.00 H new ATOM 381 N ARG A 28 -4.126 8.985 -0.939 1.00 0.00 N ATOM 382 CA ARG A 28 -2.789 8.798 -0.374 1.00 0.00 C ATOM 383 C ARG A 28 -1.797 9.804 -0.962 1.00 0.00 C ATOM 384 O ARG A 28 -0.900 10.278 -0.264 1.00 0.00 O ATOM 385 CB ARG A 28 -2.299 7.370 -0.625 1.00 0.00 C ATOM 386 CG ARG A 28 -1.022 7.019 0.125 1.00 0.00 C ATOM 387 CD ARG A 28 0.165 6.890 -0.818 1.00 0.00 C ATOM 388 NE ARG A 28 1.015 8.081 -0.798 1.00 0.00 N ATOM 389 CZ ARG A 28 2.122 8.223 -1.530 1.00 0.00 C ATOM 390 NH1 ARG A 28 2.518 7.254 -2.351 1.00 0.00 N ATOM 391 NH2 ARG A 28 2.833 9.340 -1.444 1.00 0.00 N ATOM 0 H ARG A 28 -4.488 8.175 -1.443 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.852 8.968 0.701 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.083 6.670 -0.336 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.130 7.236 -1.694 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -0.814 7.787 0.869 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.162 6.082 0.664 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.756 6.018 -0.539 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.195 6.719 -1.832 1.00 0.00 H new ATOM 0 HE ARG A 28 0.744 8.851 -0.186 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.974 6.394 -2.425 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.365 7.371 -2.907 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.533 10.088 -0.819 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.679 9.450 -2.003 1.00 0.00 H new ATOM 405 N ALA A 29 -1.965 10.120 -2.247 1.00 0.00 N ATOM 406 CA ALA A 29 -1.088 11.069 -2.935 1.00 0.00 C ATOM 407 C ALA A 29 -1.102 12.441 -2.256 1.00 0.00 C ATOM 408 O ALA A 29 -0.110 13.169 -2.290 1.00 0.00 O ATOM 409 CB ALA A 29 -1.492 11.203 -4.396 1.00 0.00 C ATOM 0 H ALA A 29 -2.703 9.731 -2.834 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.072 10.678 -2.881 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.830 11.912 -4.893 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.416 10.232 -4.885 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.520 11.561 -4.458 1.00 0.00 H new ATOM 415 N VAL A 30 -2.232 12.783 -1.639 1.00 0.00 N ATOM 416 CA VAL A 30 -2.377 14.060 -0.946 1.00 0.00 C ATOM 417 C VAL A 30 -2.066 13.917 0.550 1.00 0.00 C ATOM 418 O VAL A 30 -2.522 14.717 1.367 1.00 0.00 O ATOM 419 CB VAL A 30 -3.801 14.637 -1.126 1.00 0.00 C ATOM 420 CG1 VAL A 30 -3.855 16.094 -0.689 1.00 0.00 C ATOM 421 CG2 VAL A 30 -4.260 14.492 -2.571 1.00 0.00 C ATOM 0 H VAL A 30 -3.062 12.191 -1.606 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.660 14.750 -1.391 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.480 14.068 -0.491 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.866 16.477 -0.825 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.577 16.169 0.362 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.161 16.680 -1.291 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.264 14.904 -2.677 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.576 15.031 -3.226 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.270 13.437 -2.846 1.00 0.00 H new ATOM 431 N ASP A 31 -1.284 12.889 0.903 1.00 0.00 N ATOM 432 CA ASP A 31 -0.910 12.638 2.293 1.00 0.00 C ATOM 433 C ASP A 31 -2.144 12.412 3.167 1.00 0.00 C ATOM 434 O ASP A 31 -2.280 13.006 4.240 1.00 0.00 O ATOM 435 CB ASP A 31 -0.073 13.797 2.845 1.00 0.00 C ATOM 436 CG ASP A 31 1.411 13.607 2.601 1.00 0.00 C ATOM 437 OD1 ASP A 31 2.030 12.781 3.307 1.00 0.00 O ATOM 438 OD2 ASP A 31 1.956 14.283 1.705 1.00 0.00 O ATOM 0 H ASP A 31 -0.899 12.217 0.239 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.308 11.729 2.316 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.398 14.729 2.382 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.253 13.893 3.916 1.00 0.00 H new ATOM 443 N LEU A 32 -3.044 11.548 2.702 1.00 0.00 N ATOM 444 CA LEU A 32 -4.264 11.243 3.442 1.00 0.00 C ATOM 445 C LEU A 32 -4.454 9.732 3.577 1.00 0.00 C ATOM 446 O LEU A 32 -5.562 9.217 3.418 1.00 0.00 O ATOM 447 CB LEU A 32 -5.477 11.871 2.748 1.00 0.00 C ATOM 448 CG LEU A 32 -5.679 13.366 3.015 1.00 0.00 C ATOM 449 CD1 LEU A 32 -5.841 14.127 1.708 1.00 0.00 C ATOM 450 CD2 LEU A 32 -6.886 13.588 3.915 1.00 0.00 C ATOM 0 H LEU A 32 -2.951 11.048 1.818 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.172 11.667 4.442 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.379 11.720 1.673 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.373 11.337 3.064 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.794 13.746 3.525 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.983 15.187 1.919 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.948 13.995 1.097 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.708 13.745 1.170 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.015 14.655 4.094 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.778 13.191 3.431 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.730 13.077 4.865 1.00 0.00 H new ATOM 462 N SER A 33 -3.363 9.023 3.873 1.00 0.00 N ATOM 463 CA SER A 33 -3.410 7.573 4.030 1.00 0.00 C ATOM 464 C SER A 33 -3.473 7.188 5.508 1.00 0.00 C ATOM 465 O SER A 33 -2.699 7.696 6.319 1.00 0.00 O ATOM 466 CB SER A 33 -2.188 6.925 3.378 1.00 0.00 C ATOM 467 OG SER A 33 -2.453 5.582 3.007 1.00 0.00 O ATOM 0 H SER A 33 -2.438 9.431 4.008 1.00 0.00 H new ATOM 0 HA SER A 33 -4.311 7.210 3.536 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.897 7.497 2.497 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.346 6.954 4.070 1.00 0.00 H new ATOM 0 HG SER A 33 -1.655 5.194 2.591 1.00 0.00 H new ATOM 473 N PRO A 34 -4.398 6.279 5.877 1.00 0.00 N ATOM 474 CA PRO A 34 -4.552 5.829 7.264 1.00 0.00 C ATOM 475 C PRO A 34 -3.453 4.854 7.691 1.00 0.00 C ATOM 476 O PRO A 34 -3.046 4.838 8.854 1.00 0.00 O ATOM 477 CB PRO A 34 -5.913 5.129 7.253 1.00 0.00 C ATOM 478 CG PRO A 34 -6.075 4.634 5.858 1.00 0.00 C ATOM 479 CD PRO A 34 -5.363 5.622 4.971 1.00 0.00 C ATOM 0 HA PRO A 34 -4.483 6.656 7.971 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -5.941 4.308 7.970 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -6.714 5.817 7.524 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -5.650 3.636 5.748 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.129 4.562 5.591 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -4.859 5.125 4.142 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.057 6.341 4.536 1.00 0.00 H new ATOM 487 N HIS A 35 -2.975 4.044 6.743 1.00 0.00 N ATOM 488 CA HIS A 35 -1.924 3.068 7.023 1.00 0.00 C ATOM 489 C HIS A 35 -0.543 3.726 7.035 1.00 0.00 C ATOM 490 O HIS A 35 0.278 3.439 7.907 1.00 0.00 O ATOM 491 CB HIS A 35 -1.961 1.936 5.991 1.00 0.00 C ATOM 492 CG HIS A 35 -3.257 1.180 5.981 1.00 0.00 C ATOM 493 ND1 HIS A 35 -4.077 1.096 4.874 1.00 0.00 N ATOM 494 CD2 HIS A 35 -3.877 0.476 6.959 1.00 0.00 C ATOM 495 CE1 HIS A 35 -5.145 0.376 5.174 1.00 0.00 C ATOM 496 NE2 HIS A 35 -5.046 -0.011 6.430 1.00 0.00 N ATOM 0 H HIS A 35 -3.300 4.046 5.776 1.00 0.00 H new ATOM 0 HA HIS A 35 -2.108 2.653 8.014 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -1.784 2.353 4.999 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.146 1.242 6.195 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.518 0.326 7.967 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.960 0.145 4.504 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -5.729 -0.581 6.929 1.00 0.00 H new ATOM 505 N GLU A 36 -0.301 4.614 6.064 1.00 0.00 N ATOM 506 CA GLU A 36 0.975 5.323 5.953 1.00 0.00 C ATOM 507 C GLU A 36 2.163 4.365 6.096 1.00 0.00 C ATOM 508 O GLU A 36 2.973 4.494 7.019 1.00 0.00 O ATOM 509 CB GLU A 36 1.054 6.433 7.005 1.00 0.00 C ATOM 510 CG GLU A 36 0.539 7.775 6.513 1.00 0.00 C ATOM 511 CD GLU A 36 0.552 8.839 7.594 1.00 0.00 C ATOM 512 OE1 GLU A 36 -0.133 8.655 8.621 1.00 0.00 O ATOM 513 OE2 GLU A 36 1.248 9.860 7.409 1.00 0.00 O ATOM 0 H GLU A 36 -0.978 4.858 5.341 1.00 0.00 H new ATOM 0 HA GLU A 36 1.027 5.769 4.960 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.481 6.133 7.882 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.090 6.546 7.325 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.149 8.108 5.674 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.478 7.655 6.140 1.00 0.00 H new ATOM 520 N VAL A 37 2.261 3.402 5.178 1.00 0.00 N ATOM 521 CA VAL A 37 3.349 2.422 5.204 1.00 0.00 C ATOM 522 C VAL A 37 4.089 2.381 3.866 1.00 0.00 C ATOM 523 O VAL A 37 3.487 2.570 2.808 1.00 0.00 O ATOM 524 CB VAL A 37 2.841 0.999 5.544 1.00 0.00 C ATOM 525 CG1 VAL A 37 3.261 0.608 6.953 1.00 0.00 C ATOM 526 CG2 VAL A 37 1.328 0.901 5.396 1.00 0.00 C ATOM 0 H VAL A 37 1.602 3.279 4.409 1.00 0.00 H new ATOM 0 HA VAL A 37 4.034 2.744 5.989 1.00 0.00 H new ATOM 0 HB VAL A 37 3.293 0.305 4.836 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.896 -0.395 7.176 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.348 0.623 7.026 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.840 1.315 7.668 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.003 -0.110 5.642 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.850 1.610 6.072 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.047 1.133 4.369 1.00 0.00 H new ATOM 536 N THR A 38 5.399 2.136 3.926 1.00 0.00 N ATOM 537 CA THR A 38 6.232 2.070 2.723 1.00 0.00 C ATOM 538 C THR A 38 6.222 0.666 2.126 1.00 0.00 C ATOM 539 O THR A 38 6.353 -0.327 2.846 1.00 0.00 O ATOM 540 CB THR A 38 7.674 2.486 3.043 1.00 0.00 C ATOM 541 OG1 THR A 38 7.942 2.365 4.430 1.00 0.00 O ATOM 542 CG2 THR A 38 7.995 3.909 2.640 1.00 0.00 C ATOM 0 H THR A 38 5.907 1.980 4.796 1.00 0.00 H new ATOM 0 HA THR A 38 5.815 2.762 1.992 1.00 0.00 H new ATOM 0 HB THR A 38 8.298 1.809 2.459 1.00 0.00 H new ATOM 0 HG1 THR A 38 8.867 2.634 4.609 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.030 4.135 2.896 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.853 4.024 1.565 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.333 4.595 3.168 1.00 0.00 H new ATOM 550 N VAL A 39 6.066 0.591 0.805 1.00 0.00 N ATOM 551 CA VAL A 39 6.037 -0.692 0.106 1.00 0.00 C ATOM 552 C VAL A 39 7.433 -1.105 -0.358 1.00 0.00 C ATOM 553 O VAL A 39 8.187 -0.291 -0.896 1.00 0.00 O ATOM 554 CB VAL A 39 5.085 -0.657 -1.111 1.00 0.00 C ATOM 555 CG1 VAL A 39 3.654 -0.407 -0.660 1.00 0.00 C ATOM 556 CG2 VAL A 39 5.525 0.396 -2.124 1.00 0.00 C ATOM 0 H VAL A 39 5.958 1.403 0.198 1.00 0.00 H new ATOM 0 HA VAL A 39 5.667 -1.427 0.821 1.00 0.00 H new ATOM 0 HB VAL A 39 5.128 -1.629 -1.602 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.997 -0.385 -1.529 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.340 -1.205 0.013 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.598 0.549 -0.139 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.837 0.398 -2.969 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.522 1.378 -1.652 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.531 0.165 -2.475 1.00 0.00 H new ATOM 566 N LEU A 40 7.770 -2.377 -0.143 1.00 0.00 N ATOM 567 CA LEU A 40 9.074 -2.908 -0.533 1.00 0.00 C ATOM 568 C LEU A 40 8.975 -3.722 -1.823 1.00 0.00 C ATOM 569 O LEU A 40 7.933 -4.307 -2.125 1.00 0.00 O ATOM 570 CB LEU A 40 9.644 -3.795 0.579 1.00 0.00 C ATOM 571 CG LEU A 40 10.505 -3.075 1.623 1.00 0.00 C ATOM 572 CD1 LEU A 40 9.705 -1.987 2.326 1.00 0.00 C ATOM 573 CD2 LEU A 40 11.053 -4.070 2.635 1.00 0.00 C ATOM 0 H LEU A 40 7.155 -3.059 0.300 1.00 0.00 H new ATOM 0 HA LEU A 40 9.738 -2.060 -0.702 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.815 -4.283 1.092 1.00 0.00 H new ATOM 0 HB3 LEU A 40 10.243 -4.582 0.121 1.00 0.00 H new ATOM 0 HG LEU A 40 11.343 -2.604 1.109 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.336 -1.490 3.062 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.359 -1.258 1.593 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.846 -2.433 2.827 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.662 -3.544 3.370 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.226 -4.568 3.140 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.664 -4.812 2.121 1.00 0.00 H new ATOM 585 N VAL A 41 10.076 -3.772 -2.566 1.00 0.00 N ATOM 586 CA VAL A 41 10.141 -4.529 -3.807 1.00 0.00 C ATOM 587 C VAL A 41 11.182 -5.631 -3.679 1.00 0.00 C ATOM 588 O VAL A 41 12.358 -5.356 -3.429 1.00 0.00 O ATOM 589 CB VAL A 41 10.487 -3.629 -5.013 1.00 0.00 C ATOM 590 CG1 VAL A 41 10.074 -4.298 -6.316 1.00 0.00 C ATOM 591 CG2 VAL A 41 9.826 -2.264 -4.875 1.00 0.00 C ATOM 0 H VAL A 41 10.943 -3.291 -2.325 1.00 0.00 H new ATOM 0 HA VAL A 41 9.156 -4.961 -3.985 1.00 0.00 H new ATOM 0 HB VAL A 41 11.567 -3.482 -5.031 1.00 0.00 H new ATOM 0 HG11 VAL A 41 10.326 -3.648 -7.154 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.601 -5.247 -6.421 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.999 -4.479 -6.307 1.00 0.00 H new ATOM 0 HG21 VAL A 41 10.083 -1.646 -5.736 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.744 -2.387 -4.827 1.00 0.00 H new ATOM 0 HG23 VAL A 41 10.177 -1.780 -3.963 1.00 0.00 H new ATOM 601 N ASP A 42 10.746 -6.877 -3.830 1.00 0.00 N ATOM 602 CA ASP A 42 11.645 -8.009 -3.706 1.00 0.00 C ATOM 603 C ASP A 42 12.783 -7.893 -4.708 1.00 0.00 C ATOM 604 O ASP A 42 12.561 -7.852 -5.920 1.00 0.00 O ATOM 605 CB ASP A 42 10.872 -9.311 -3.925 1.00 0.00 C ATOM 606 CG ASP A 42 11.757 -10.541 -3.860 1.00 0.00 C ATOM 607 OD1 ASP A 42 12.699 -10.561 -3.035 1.00 0.00 O ATOM 608 OD2 ASP A 42 11.508 -11.488 -4.635 1.00 0.00 O ATOM 0 H ASP A 42 9.778 -7.124 -4.038 1.00 0.00 H new ATOM 0 HA ASP A 42 12.071 -8.015 -2.703 1.00 0.00 H new ATOM 0 HB2 ASP A 42 10.088 -9.393 -3.172 1.00 0.00 H new ATOM 0 HB3 ASP A 42 10.378 -9.276 -4.896 1.00 0.00 H new ATOM 613 N GLY A 43 13.996 -7.844 -4.170 1.00 0.00 N ATOM 614 CA GLY A 43 15.204 -7.725 -4.971 1.00 0.00 C ATOM 615 C GLY A 43 15.050 -6.891 -6.240 1.00 0.00 C ATOM 616 O GLY A 43 15.695 -7.178 -7.251 1.00 0.00 O ATOM 0 H GLY A 43 14.168 -7.886 -3.165 1.00 0.00 H new ATOM 0 HA2 GLY A 43 15.989 -7.284 -4.356 1.00 0.00 H new ATOM 0 HA3 GLY A 43 15.539 -8.724 -5.248 1.00 0.00 H new ATOM 620 N ARG A 44 14.196 -5.867 -6.199 1.00 0.00 N ATOM 621 CA ARG A 44 13.971 -5.013 -7.362 1.00 0.00 C ATOM 622 C ARG A 44 14.020 -3.530 -6.990 1.00 0.00 C ATOM 623 O ARG A 44 13.637 -3.151 -5.880 1.00 0.00 O ATOM 624 CB ARG A 44 12.618 -5.341 -8.000 1.00 0.00 C ATOM 625 CG ARG A 44 12.712 -5.764 -9.457 1.00 0.00 C ATOM 626 CD ARG A 44 12.052 -7.115 -9.689 1.00 0.00 C ATOM 627 NE ARG A 44 12.754 -7.897 -10.703 1.00 0.00 N ATOM 628 CZ ARG A 44 13.871 -8.593 -10.471 1.00 0.00 C ATOM 629 NH1 ARG A 44 14.420 -8.602 -9.257 1.00 0.00 N ATOM 630 NH2 ARG A 44 14.446 -9.277 -11.456 1.00 0.00 N ATOM 0 H ARG A 44 13.651 -5.611 -5.375 1.00 0.00 H new ATOM 0 HA ARG A 44 14.771 -5.208 -8.076 1.00 0.00 H new ATOM 0 HB2 ARG A 44 12.142 -6.139 -7.430 1.00 0.00 H new ATOM 0 HB3 ARG A 44 11.971 -4.467 -7.926 1.00 0.00 H new ATOM 0 HG2 ARG A 44 12.236 -5.012 -10.087 1.00 0.00 H new ATOM 0 HG3 ARG A 44 13.759 -5.813 -9.756 1.00 0.00 H new ATOM 0 HD2 ARG A 44 12.028 -7.673 -8.753 1.00 0.00 H new ATOM 0 HD3 ARG A 44 11.017 -6.965 -9.998 1.00 0.00 H new ATOM 0 HE ARG A 44 12.368 -7.913 -11.647 1.00 0.00 H new ATOM 0 HH11 ARG A 44 13.988 -8.076 -8.498 1.00 0.00 H new ATOM 0 HH12 ARG A 44 15.273 -9.135 -9.087 1.00 0.00 H new ATOM 0 HH21 ARG A 44 14.034 -9.271 -12.389 1.00 0.00 H new ATOM 0 HH22 ARG A 44 15.299 -9.808 -11.278 1.00 0.00 H new ATOM 644 N PRO A 45 14.476 -2.663 -7.920 1.00 0.00 N ATOM 645 CA PRO A 45 14.548 -1.219 -7.680 1.00 0.00 C ATOM 646 C PRO A 45 13.169 -0.556 -7.734 1.00 0.00 C ATOM 647 O PRO A 45 12.808 0.216 -6.844 1.00 0.00 O ATOM 648 CB PRO A 45 15.440 -0.714 -8.817 1.00 0.00 C ATOM 649 CG PRO A 45 15.264 -1.702 -9.919 1.00 0.00 C ATOM 650 CD PRO A 45 14.945 -3.027 -9.273 1.00 0.00 C ATOM 0 HA PRO A 45 14.935 -0.985 -6.688 1.00 0.00 H new ATOM 0 HB2 PRO A 45 15.145 0.286 -9.134 1.00 0.00 H new ATOM 0 HB3 PRO A 45 16.482 -0.655 -8.504 1.00 0.00 H new ATOM 0 HG2 PRO A 45 14.460 -1.395 -10.588 1.00 0.00 H new ATOM 0 HG3 PRO A 45 16.170 -1.774 -10.521 1.00 0.00 H new ATOM 0 HD2 PRO A 45 14.179 -3.568 -9.829 1.00 0.00 H new ATOM 0 HD3 PRO A 45 15.823 -3.672 -9.231 1.00 0.00 H new ATOM 658 N VAL A 46 12.400 -0.869 -8.783 1.00 0.00 N ATOM 659 CA VAL A 46 11.055 -0.317 -8.962 1.00 0.00 C ATOM 660 C VAL A 46 10.252 -1.167 -9.947 1.00 0.00 C ATOM 661 O VAL A 46 10.703 -1.412 -11.067 1.00 0.00 O ATOM 662 CB VAL A 46 11.081 1.140 -9.483 1.00 0.00 C ATOM 663 CG1 VAL A 46 11.270 2.123 -8.338 1.00 0.00 C ATOM 664 CG2 VAL A 46 12.164 1.320 -10.537 1.00 0.00 C ATOM 0 H VAL A 46 12.690 -1.506 -9.525 1.00 0.00 H new ATOM 0 HA VAL A 46 10.586 -0.327 -7.978 1.00 0.00 H new ATOM 0 HB VAL A 46 10.118 1.348 -9.950 1.00 0.00 H new ATOM 0 HG11 VAL A 46 11.285 3.140 -8.730 1.00 0.00 H new ATOM 0 HG12 VAL A 46 10.448 2.019 -7.630 1.00 0.00 H new ATOM 0 HG13 VAL A 46 12.213 1.915 -7.832 1.00 0.00 H new ATOM 0 HG21 VAL A 46 12.162 2.352 -10.888 1.00 0.00 H new ATOM 0 HG22 VAL A 46 13.136 1.086 -10.103 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.970 0.651 -11.376 1.00 0.00 H new ATOM 674 N PRO A 47 9.050 -1.631 -9.552 1.00 0.00 N ATOM 675 CA PRO A 47 8.197 -2.452 -10.418 1.00 0.00 C ATOM 676 C PRO A 47 7.395 -1.617 -11.421 1.00 0.00 C ATOM 677 O PRO A 47 6.174 -1.757 -11.522 1.00 0.00 O ATOM 678 CB PRO A 47 7.268 -3.141 -9.419 1.00 0.00 C ATOM 679 CG PRO A 47 7.129 -2.164 -8.300 1.00 0.00 C ATOM 680 CD PRO A 47 8.425 -1.395 -8.232 1.00 0.00 C ATOM 0 HA PRO A 47 8.774 -3.139 -11.037 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.302 -3.369 -9.868 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.689 -4.085 -9.072 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.289 -1.492 -8.475 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.935 -2.679 -7.359 1.00 0.00 H new ATOM 0 HD2 PRO A 47 8.251 -0.333 -8.057 1.00 0.00 H new ATOM 0 HD3 PRO A 47 9.059 -1.752 -7.420 1.00 0.00 H new ATOM 688 N GLU A 48 8.090 -0.750 -12.159 1.00 0.00 N ATOM 689 CA GLU A 48 7.444 0.108 -13.155 1.00 0.00 C ATOM 690 C GLU A 48 6.921 -0.710 -14.338 1.00 0.00 C ATOM 691 O GLU A 48 5.874 -0.398 -14.903 1.00 0.00 O ATOM 692 CB GLU A 48 8.416 1.185 -13.653 1.00 0.00 C ATOM 693 CG GLU A 48 9.033 2.024 -12.543 1.00 0.00 C ATOM 694 CD GLU A 48 7.998 2.768 -11.716 1.00 0.00 C ATOM 695 OE1 GLU A 48 7.052 3.331 -12.308 1.00 0.00 O ATOM 696 OE2 GLU A 48 8.134 2.784 -10.474 1.00 0.00 O ATOM 0 H GLU A 48 9.099 -0.623 -12.086 1.00 0.00 H new ATOM 0 HA GLU A 48 6.595 0.592 -12.671 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.215 0.705 -14.218 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.889 1.844 -14.343 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.617 1.377 -11.888 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.725 2.743 -12.981 1.00 0.00 H new ATOM 703 N ASP A 49 7.662 -1.756 -14.706 1.00 0.00 N ATOM 704 CA ASP A 49 7.278 -2.620 -15.819 1.00 0.00 C ATOM 705 C ASP A 49 6.599 -3.904 -15.328 1.00 0.00 C ATOM 706 O ASP A 49 6.530 -4.897 -16.057 1.00 0.00 O ATOM 707 CB ASP A 49 8.510 -2.962 -16.658 1.00 0.00 C ATOM 708 CG ASP A 49 8.558 -2.176 -17.951 1.00 0.00 C ATOM 709 OD1 ASP A 49 7.846 -2.554 -18.905 1.00 0.00 O ATOM 710 OD2 ASP A 49 9.308 -1.178 -18.010 1.00 0.00 O ATOM 0 H ASP A 49 8.533 -2.024 -14.248 1.00 0.00 H new ATOM 0 HA ASP A 49 6.558 -2.080 -16.433 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.410 -2.759 -16.078 1.00 0.00 H new ATOM 0 HB3 ASP A 49 8.510 -4.029 -16.883 1.00 0.00 H new ATOM 715 N GLN A 50 6.101 -3.884 -14.090 1.00 0.00 N ATOM 716 CA GLN A 50 5.435 -5.045 -13.509 1.00 0.00 C ATOM 717 C GLN A 50 4.028 -5.221 -14.080 1.00 0.00 C ATOM 718 O GLN A 50 3.305 -4.245 -14.295 1.00 0.00 O ATOM 719 CB GLN A 50 5.370 -4.901 -11.985 1.00 0.00 C ATOM 720 CG GLN A 50 5.242 -6.225 -11.248 1.00 0.00 C ATOM 721 CD GLN A 50 6.541 -7.010 -11.230 1.00 0.00 C ATOM 722 OE1 GLN A 50 6.946 -7.586 -12.241 1.00 0.00 O ATOM 723 NE2 GLN A 50 7.204 -7.038 -10.078 1.00 0.00 N ATOM 0 H GLN A 50 6.148 -3.074 -13.472 1.00 0.00 H new ATOM 0 HA GLN A 50 6.015 -5.932 -13.764 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.268 -4.389 -11.639 1.00 0.00 H new ATOM 0 HB3 GLN A 50 4.522 -4.268 -11.725 1.00 0.00 H new ATOM 0 HG2 GLN A 50 4.921 -6.037 -10.223 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.465 -6.826 -11.720 1.00 0.00 H new ATOM 0 HE21 GLN A 50 6.833 -6.547 -9.264 1.00 0.00 H new ATOM 0 HE22 GLN A 50 8.083 -7.550 -10.008 1.00 0.00 H new ATOM 732 N SER A 51 3.647 -6.478 -14.321 1.00 0.00 N ATOM 733 CA SER A 51 2.326 -6.795 -14.864 1.00 0.00 C ATOM 734 C SER A 51 1.265 -6.784 -13.763 1.00 0.00 C ATOM 735 O SER A 51 1.596 -6.759 -12.575 1.00 0.00 O ATOM 736 CB SER A 51 2.349 -8.163 -15.554 1.00 0.00 C ATOM 737 OG SER A 51 1.548 -8.156 -16.722 1.00 0.00 O ATOM 0 H SER A 51 4.236 -7.293 -14.148 1.00 0.00 H new ATOM 0 HA SER A 51 2.070 -6.030 -15.597 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.374 -8.426 -15.814 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.988 -8.927 -14.866 1.00 0.00 H new ATOM 0 HG SER A 51 1.580 -9.039 -17.146 1.00 0.00 H new ATOM 743 N VAL A 52 -0.009 -6.800 -14.169 1.00 0.00 N ATOM 744 CA VAL A 52 -1.133 -6.789 -13.227 1.00 0.00 C ATOM 745 C VAL A 52 -1.307 -5.402 -12.602 1.00 0.00 C ATOM 746 O VAL A 52 -0.332 -4.767 -12.200 1.00 0.00 O ATOM 747 CB VAL A 52 -0.962 -7.835 -12.097 1.00 0.00 C ATOM 748 CG1 VAL A 52 -2.222 -7.926 -11.247 1.00 0.00 C ATOM 749 CG2 VAL A 52 -0.607 -9.201 -12.672 1.00 0.00 C ATOM 0 H VAL A 52 -0.288 -6.821 -15.150 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.021 -7.049 -13.803 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.141 -7.508 -11.459 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.078 -8.667 -10.461 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.428 -6.955 -10.797 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.063 -8.222 -11.874 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.492 -9.919 -11.860 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.402 -9.533 -13.340 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.328 -9.130 -13.228 1.00 0.00 H new ATOM 759 N GLU A 53 -2.558 -4.943 -12.526 1.00 0.00 N ATOM 760 CA GLU A 53 -2.865 -3.631 -11.951 1.00 0.00 C ATOM 761 C GLU A 53 -2.333 -3.515 -10.521 1.00 0.00 C ATOM 762 O GLU A 53 -1.848 -2.456 -10.119 1.00 0.00 O ATOM 763 CB GLU A 53 -4.377 -3.366 -11.974 1.00 0.00 C ATOM 764 CG GLU A 53 -5.218 -4.491 -11.382 1.00 0.00 C ATOM 765 CD GLU A 53 -6.273 -5.004 -12.346 1.00 0.00 C ATOM 766 OE1 GLU A 53 -7.105 -4.191 -12.803 1.00 0.00 O ATOM 767 OE2 GLU A 53 -6.264 -6.217 -12.645 1.00 0.00 O ATOM 0 H GLU A 53 -3.374 -5.459 -12.855 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.368 -2.879 -12.564 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.582 -2.447 -11.425 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.689 -3.198 -13.005 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.565 -5.314 -11.093 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.704 -4.136 -10.473 1.00 0.00 H new ATOM 774 N VAL A 54 -2.418 -4.610 -9.764 1.00 0.00 N ATOM 775 CA VAL A 54 -1.935 -4.630 -8.385 1.00 0.00 C ATOM 776 C VAL A 54 -0.699 -5.519 -8.253 1.00 0.00 C ATOM 777 O VAL A 54 -0.430 -6.358 -9.115 1.00 0.00 O ATOM 778 CB VAL A 54 -3.019 -5.129 -7.404 1.00 0.00 C ATOM 779 CG1 VAL A 54 -4.243 -4.226 -7.448 1.00 0.00 C ATOM 780 CG2 VAL A 54 -3.402 -6.573 -7.704 1.00 0.00 C ATOM 0 H VAL A 54 -2.817 -5.493 -10.083 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.677 -3.602 -8.129 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.605 -5.092 -6.396 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.993 -4.596 -6.750 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.957 -3.212 -7.170 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.656 -4.222 -8.457 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.167 -6.900 -7.000 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.791 -6.643 -8.720 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.523 -7.210 -7.607 1.00 0.00 H new ATOM 790 N ASP A 55 0.046 -5.334 -7.164 1.00 0.00 N ATOM 791 CA ASP A 55 1.252 -6.119 -6.915 1.00 0.00 C ATOM 792 C ASP A 55 1.443 -6.368 -5.420 1.00 0.00 C ATOM 793 O ASP A 55 0.930 -5.618 -4.587 1.00 0.00 O ATOM 794 CB ASP A 55 2.478 -5.401 -7.495 1.00 0.00 C ATOM 795 CG ASP A 55 3.670 -6.323 -7.686 1.00 0.00 C ATOM 796 OD1 ASP A 55 3.473 -7.465 -8.154 1.00 0.00 O ATOM 797 OD2 ASP A 55 4.802 -5.900 -7.371 1.00 0.00 O ATOM 0 H ASP A 55 -0.165 -4.647 -6.440 1.00 0.00 H new ATOM 0 HA ASP A 55 1.140 -7.085 -7.408 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.212 -4.957 -8.454 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.761 -4.583 -6.832 1.00 0.00 H new ATOM 802 N ARG A 56 2.187 -7.422 -5.085 1.00 0.00 N ATOM 803 CA ARG A 56 2.445 -7.762 -3.688 1.00 0.00 C ATOM 804 C ARG A 56 3.777 -7.173 -3.232 1.00 0.00 C ATOM 805 O ARG A 56 4.811 -7.384 -3.865 1.00 0.00 O ATOM 806 CB ARG A 56 2.448 -9.279 -3.490 1.00 0.00 C ATOM 807 CG ARG A 56 2.062 -9.708 -2.082 1.00 0.00 C ATOM 808 CD ARG A 56 1.198 -10.961 -2.091 1.00 0.00 C ATOM 809 NE ARG A 56 1.194 -11.636 -0.793 1.00 0.00 N ATOM 810 CZ ARG A 56 2.197 -12.396 -0.339 1.00 0.00 C ATOM 811 NH1 ARG A 56 3.294 -12.574 -1.073 1.00 0.00 N ATOM 812 NH2 ARG A 56 2.099 -12.980 0.851 1.00 0.00 N ATOM 0 H ARG A 56 2.620 -8.052 -5.760 1.00 0.00 H new ATOM 0 HA ARG A 56 1.645 -7.335 -3.083 1.00 0.00 H new ATOM 0 HB2 ARG A 56 1.757 -9.732 -4.201 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.441 -9.666 -3.720 1.00 0.00 H new ATOM 0 HG2 ARG A 56 2.964 -9.892 -1.498 1.00 0.00 H new ATOM 0 HG3 ARG A 56 1.523 -8.898 -1.590 1.00 0.00 H new ATOM 0 HD2 ARG A 56 0.177 -10.695 -2.364 1.00 0.00 H new ATOM 0 HD3 ARG A 56 1.563 -11.647 -2.855 1.00 0.00 H new ATOM 0 HE ARG A 56 0.375 -11.520 -0.197 1.00 0.00 H new ATOM 0 HH11 ARG A 56 3.373 -12.130 -1.988 1.00 0.00 H new ATOM 0 HH12 ARG A 56 4.055 -13.155 -0.720 1.00 0.00 H new ATOM 0 HH21 ARG A 56 1.260 -12.848 1.416 1.00 0.00 H new ATOM 0 HH22 ARG A 56 2.863 -13.560 1.199 1.00 0.00 H new ATOM 826 N VAL A 57 3.736 -6.422 -2.134 1.00 0.00 N ATOM 827 CA VAL A 57 4.933 -5.786 -1.592 1.00 0.00 C ATOM 828 C VAL A 57 5.030 -5.972 -0.076 1.00 0.00 C ATOM 829 O VAL A 57 4.070 -6.390 0.571 1.00 0.00 O ATOM 830 CB VAL A 57 4.961 -4.278 -1.924 1.00 0.00 C ATOM 831 CG1 VAL A 57 5.261 -4.060 -3.401 1.00 0.00 C ATOM 832 CG2 VAL A 57 3.646 -3.615 -1.542 1.00 0.00 C ATOM 0 H VAL A 57 2.885 -6.239 -1.602 1.00 0.00 H new ATOM 0 HA VAL A 57 5.789 -6.272 -2.061 1.00 0.00 H new ATOM 0 HB VAL A 57 5.757 -3.817 -1.339 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.276 -2.991 -3.615 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.232 -4.493 -3.643 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.490 -4.540 -4.004 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.690 -2.553 -1.785 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.830 -4.081 -2.094 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.475 -3.735 -0.472 1.00 0.00 H new ATOM 842 N LYS A 58 6.200 -5.660 0.483 1.00 0.00 N ATOM 843 CA LYS A 58 6.425 -5.790 1.926 1.00 0.00 C ATOM 844 C LYS A 58 6.351 -4.424 2.604 1.00 0.00 C ATOM 845 O LYS A 58 6.908 -3.447 2.104 1.00 0.00 O ATOM 846 CB LYS A 58 7.790 -6.435 2.217 1.00 0.00 C ATOM 847 CG LYS A 58 8.380 -7.213 1.049 1.00 0.00 C ATOM 848 CD LYS A 58 9.185 -8.416 1.525 1.00 0.00 C ATOM 849 CE LYS A 58 8.862 -9.667 0.718 1.00 0.00 C ATOM 850 NZ LYS A 58 9.710 -9.783 -0.504 1.00 0.00 N ATOM 0 H LYS A 58 7.006 -5.316 -0.039 1.00 0.00 H new ATOM 0 HA LYS A 58 5.642 -6.434 2.327 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.492 -5.654 2.509 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.687 -7.106 3.070 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.577 -7.549 0.392 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.020 -6.556 0.460 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.250 -8.196 1.444 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.976 -8.599 2.579 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.006 -10.548 1.343 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.811 -9.650 0.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.456 -10.648 -1.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.554 -8.956 -1.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.712 -9.826 -0.228 1.00 0.00 H new ATOM 864 N VAL A 59 5.665 -4.357 3.744 1.00 0.00 N ATOM 865 CA VAL A 59 5.533 -3.098 4.479 1.00 0.00 C ATOM 866 C VAL A 59 6.178 -3.185 5.858 1.00 0.00 C ATOM 867 O VAL A 59 6.073 -4.204 6.544 1.00 0.00 O ATOM 868 CB VAL A 59 4.061 -2.668 4.640 1.00 0.00 C ATOM 869 CG1 VAL A 59 3.517 -2.125 3.326 1.00 0.00 C ATOM 870 CG2 VAL A 59 3.205 -3.821 5.150 1.00 0.00 C ATOM 0 H VAL A 59 5.195 -5.152 4.177 1.00 0.00 H new ATOM 0 HA VAL A 59 6.052 -2.347 3.883 1.00 0.00 H new ATOM 0 HB VAL A 59 4.019 -1.871 5.383 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.477 -1.826 3.458 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.106 -1.261 3.018 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.578 -2.898 2.560 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.172 -3.489 5.254 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.251 -4.649 4.442 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.579 -4.151 6.119 1.00 0.00 H new ATOM 880 N LEU A 60 6.840 -2.103 6.258 1.00 0.00 N ATOM 881 CA LEU A 60 7.502 -2.042 7.557 1.00 0.00 C ATOM 882 C LEU A 60 6.824 -1.021 8.464 1.00 0.00 C ATOM 883 O LEU A 60 6.771 0.169 8.143 1.00 0.00 O ATOM 884 CB LEU A 60 8.983 -1.687 7.382 1.00 0.00 C ATOM 885 CG LEU A 60 9.965 -2.706 7.965 1.00 0.00 C ATOM 886 CD1 LEU A 60 10.097 -3.907 7.041 1.00 0.00 C ATOM 887 CD2 LEU A 60 11.323 -2.064 8.206 1.00 0.00 C ATOM 0 H LEU A 60 6.932 -1.255 5.699 1.00 0.00 H new ATOM 0 HA LEU A 60 7.425 -3.024 8.025 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.190 -1.572 6.318 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.167 -0.719 7.849 1.00 0.00 H new ATOM 0 HG LEU A 60 9.575 -3.050 8.923 1.00 0.00 H new ATOM 0 HD11 LEU A 60 10.799 -4.621 7.471 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.123 -4.382 6.921 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.463 -3.579 6.068 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.007 -2.804 8.621 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.721 -1.690 7.263 1.00 0.00 H new ATOM 0 HD23 LEU A 60 11.215 -1.237 8.908 1.00 0.00 H new ATOM 899 N ARG A 61 6.310 -1.490 9.599 1.00 0.00 N ATOM 900 CA ARG A 61 5.638 -0.616 10.559 1.00 0.00 C ATOM 901 C ARG A 61 6.587 0.473 11.070 1.00 0.00 C ATOM 902 O ARG A 61 6.162 1.593 11.356 1.00 0.00 O ATOM 903 CB ARG A 61 5.095 -1.432 11.736 1.00 0.00 C ATOM 904 CG ARG A 61 3.934 -2.343 11.363 1.00 0.00 C ATOM 905 CD ARG A 61 3.088 -2.701 12.575 1.00 0.00 C ATOM 906 NE ARG A 61 3.810 -3.557 13.519 1.00 0.00 N ATOM 907 CZ ARG A 61 3.451 -3.729 14.794 1.00 0.00 C ATOM 908 NH1 ARG A 61 2.378 -3.115 15.282 1.00 0.00 N ATOM 909 NH2 ARG A 61 4.168 -4.522 15.583 1.00 0.00 N ATOM 0 H ARG A 61 6.346 -2.471 9.877 1.00 0.00 H new ATOM 0 HA ARG A 61 4.805 -0.133 10.047 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.902 -2.037 12.151 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.772 -0.749 12.522 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.311 -1.851 10.617 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.319 -3.255 10.906 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.776 -1.787 13.081 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.181 -3.209 12.246 1.00 0.00 H new ATOM 0 HE ARG A 61 4.636 -4.051 13.183 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.821 -2.507 14.682 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.111 -3.252 16.257 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.991 -4.998 15.215 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.895 -4.654 16.557 1.00 0.00 H new ATOM 923 N LEU A 62 7.875 0.133 11.181 1.00 0.00 N ATOM 924 CA LEU A 62 8.884 1.077 11.652 1.00 0.00 C ATOM 925 C LEU A 62 9.915 1.364 10.560 1.00 0.00 C ATOM 926 O LEU A 62 10.246 0.483 9.765 1.00 0.00 O ATOM 927 CB LEU A 62 9.586 0.527 12.899 1.00 0.00 C ATOM 928 CG LEU A 62 8.689 0.354 14.129 1.00 0.00 C ATOM 929 CD1 LEU A 62 9.176 -0.808 14.983 1.00 0.00 C ATOM 930 CD2 LEU A 62 8.645 1.640 14.943 1.00 0.00 C ATOM 0 H LEU A 62 8.240 -0.791 10.950 1.00 0.00 H new ATOM 0 HA LEU A 62 8.381 2.010 11.907 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.027 -0.439 12.652 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.407 1.195 13.159 1.00 0.00 H new ATOM 0 HG LEU A 62 7.677 0.130 13.791 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.528 -0.917 15.853 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.153 -1.726 14.396 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.197 -0.614 15.313 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.003 1.498 15.813 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.652 1.896 15.273 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.248 2.447 14.327 1.00 0.00 H new ATOM 942 N ILE A 63 10.421 2.598 10.531 1.00 0.00 N ATOM 943 CA ILE A 63 11.416 2.998 9.536 1.00 0.00 C ATOM 944 C ILE A 63 12.257 4.170 10.042 1.00 0.00 C ATOM 945 O ILE A 63 11.767 5.016 10.793 1.00 0.00 O ATOM 946 CB ILE A 63 10.746 3.382 8.194 1.00 0.00 C ATOM 947 CG1 ILE A 63 11.805 3.667 7.124 1.00 0.00 C ATOM 948 CG2 ILE A 63 9.827 4.584 8.371 1.00 0.00 C ATOM 949 CD1 ILE A 63 11.352 3.330 5.719 1.00 0.00 C ATOM 0 H ILE A 63 10.158 3.336 11.184 1.00 0.00 H new ATOM 0 HA ILE A 63 12.067 2.140 9.369 1.00 0.00 H new ATOM 0 HB ILE A 63 10.141 2.538 7.863 1.00 0.00 H new ATOM 0 HG12 ILE A 63 12.077 4.722 7.166 1.00 0.00 H new ATOM 0 HG13 ILE A 63 12.705 3.096 7.354 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.368 4.835 7.415 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.049 4.343 9.095 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.406 5.435 8.730 1.00 0.00 H new ATOM 0 HD11 ILE A 63 12.152 3.557 5.014 1.00 0.00 H new ATOM 0 HD12 ILE A 63 11.107 2.269 5.660 1.00 0.00 H new ATOM 0 HD13 ILE A 63 10.470 3.920 5.470 1.00 0.00 H new ATOM 961 N LYS A 64 13.528 4.213 9.629 1.00 0.00 N ATOM 962 CA LYS A 64 14.444 5.280 10.044 1.00 0.00 C ATOM 963 C LYS A 64 14.652 5.260 11.561 1.00 0.00 C ATOM 964 O LYS A 64 14.732 6.310 12.204 1.00 0.00 O ATOM 965 CB LYS A 64 13.904 6.647 9.603 1.00 0.00 C ATOM 966 CG LYS A 64 14.987 7.686 9.349 1.00 0.00 C ATOM 967 CD LYS A 64 14.428 9.099 9.429 1.00 0.00 C ATOM 968 CE LYS A 64 15.353 10.110 8.765 1.00 0.00 C ATOM 969 NZ LYS A 64 16.266 10.766 9.746 1.00 0.00 N ATOM 0 H LYS A 64 13.946 3.521 9.007 1.00 0.00 H new ATOM 0 HA LYS A 64 15.407 5.108 9.563 1.00 0.00 H new ATOM 0 HB2 LYS A 64 13.317 6.519 8.693 1.00 0.00 H new ATOM 0 HB3 LYS A 64 13.226 7.023 10.369 1.00 0.00 H new ATOM 0 HG2 LYS A 64 15.787 7.567 10.080 1.00 0.00 H new ATOM 0 HG3 LYS A 64 15.428 7.522 8.366 1.00 0.00 H new ATOM 0 HD2 LYS A 64 13.450 9.131 8.949 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.280 9.373 10.474 1.00 0.00 H new ATOM 0 HE2 LYS A 64 15.945 9.610 7.998 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.756 10.871 8.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 16.877 11.446 9.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 15.703 11.266 10.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 16.855 10.044 10.209 1.00 0.00 H new ATOM 983 N GLY A 65 14.736 4.055 12.125 1.00 0.00 N ATOM 984 CA GLY A 65 14.928 3.910 13.557 1.00 0.00 C ATOM 985 C GLY A 65 13.683 3.402 14.258 1.00 0.00 C ATOM 986 O GLY A 65 13.436 2.196 14.302 1.00 0.00 O ATOM 0 H GLY A 65 14.674 3.175 11.612 1.00 0.00 H new ATOM 0 HA2 GLY A 65 15.753 3.222 13.743 1.00 0.00 H new ATOM 0 HA3 GLY A 65 15.214 4.872 13.982 1.00 0.00 H new ATOM 990 N GLY A 66 12.898 4.328 14.806 1.00 0.00 N ATOM 991 CA GLY A 66 11.678 3.958 15.502 1.00 0.00 C ATOM 992 C GLY A 66 11.848 3.956 17.010 1.00 0.00 C ATOM 993 O GLY A 66 11.688 2.880 17.624 1.00 0.00 O ATOM 0 H GLY A 66 13.087 5.330 14.780 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.883 4.653 15.230 1.00 0.00 H new ATOM 0 HA3 GLY A 66 11.362 2.968 15.174 1.00 0.00 H new TER 997 GLY A 66