USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 698 hydrogens (24 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 3 HIS : no HD1:sc= -2.2! C(o=-2.2!,f=-16!) USER MOD Set 1.2: A 81 THR OG1 : rot 16:sc= 0.0402! USER MOD Set 2.1: A 68 SER OG : rot -68:sc= 1.52 USER MOD Set 2.2: A 71 SER OG : rot 49:sc= 0.861! USER MOD Set 3.1: A 62 SER OG : rot -173:sc= -0.822 USER MOD Set 3.2: A 65 HIS :FLIP no HD1:sc= -1.38 F(o=-2.9,f=-2.2) USER MOD Single : A 1 MET CE :methyl -154:sc= -0.258 (180deg=-1.52!) USER MOD Single : A 1 MET N :NH3+ -178:sc= -0.375 (180deg=-0.417) USER MOD Single : A 2 GLN : amide:sc= -0.242 X(o=-0.24,f=-0.45) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN :FLIP amide:sc=-0.00567 F(o=-3.3!,f=-0.0057) USER MOD Single : A 33 ASN : amide:sc= -0.295 X(o=-0.29,f=-0.54) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.134) USER MOD Single : A 89 GLN : amide:sc= -0.0022 K(o=-0.0022,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.555 -4.951 3.747 1.00 0.00 N ATOM 2 CA MET A 1 11.372 -4.057 2.569 1.00 0.00 C ATOM 3 C MET A 1 11.658 -4.840 1.287 1.00 0.00 C ATOM 4 O MET A 1 12.219 -4.320 0.342 1.00 0.00 O ATOM 5 CB MET A 1 12.337 -2.876 2.672 1.00 0.00 C ATOM 6 CG MET A 1 11.978 -2.033 3.895 1.00 0.00 C ATOM 7 SD MET A 1 12.970 -0.520 3.900 1.00 0.00 S ATOM 8 CE MET A 1 14.595 -1.314 3.950 1.00 0.00 C ATOM 0 H1 MET A 1 11.328 -4.429 4.617 1.00 0.00 H new ATOM 0 H2 MET A 1 10.923 -5.772 3.661 1.00 0.00 H new ATOM 0 H3 MET A 1 12.542 -5.276 3.786 1.00 0.00 H new ATOM 0 HA MET A 1 10.347 -3.687 2.548 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.363 -3.236 2.753 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.283 -2.268 1.769 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.917 -1.784 3.879 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.159 -2.602 4.807 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.316 -0.638 4.410 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.534 -2.232 4.535 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.916 -1.551 2.936 1.00 0.00 H new ATOM 20 N GLN A 2 11.277 -6.086 1.248 1.00 0.00 N ATOM 21 CA GLN A 2 11.528 -6.903 0.026 1.00 0.00 C ATOM 22 C GLN A 2 10.835 -6.255 -1.174 1.00 0.00 C ATOM 23 O GLN A 2 11.349 -6.257 -2.273 1.00 0.00 O ATOM 24 CB GLN A 2 10.975 -8.313 0.234 1.00 0.00 C ATOM 25 CG GLN A 2 11.697 -8.983 1.406 1.00 0.00 C ATOM 26 CD GLN A 2 13.191 -9.088 1.093 1.00 0.00 C ATOM 27 OE1 GLN A 2 13.570 -9.529 0.027 1.00 0.00 O ATOM 28 NE2 GLN A 2 14.061 -8.700 1.985 1.00 0.00 N ATOM 0 H GLN A 2 10.803 -6.574 2.008 1.00 0.00 H new ATOM 0 HA GLN A 2 12.601 -6.957 -0.161 1.00 0.00 H new ATOM 0 HB2 GLN A 2 9.904 -8.268 0.432 1.00 0.00 H new ATOM 0 HB3 GLN A 2 11.107 -8.903 -0.673 1.00 0.00 H new ATOM 0 HG2 GLN A 2 11.545 -8.406 2.318 1.00 0.00 H new ATOM 0 HG3 GLN A 2 11.281 -9.975 1.584 1.00 0.00 H new ATOM 0 HE21 GLN A 2 13.743 -8.330 2.880 1.00 0.00 H new ATOM 0 HE22 GLN A 2 15.059 -8.767 1.787 1.00 0.00 H new ATOM 37 N HIS A 3 9.669 -5.702 -0.973 1.00 0.00 N ATOM 38 CA HIS A 3 8.943 -5.055 -2.102 1.00 0.00 C ATOM 39 C HIS A 3 8.290 -3.760 -1.613 1.00 0.00 C ATOM 40 O HIS A 3 7.273 -3.334 -2.123 1.00 0.00 O ATOM 41 CB HIS A 3 7.862 -6.005 -2.624 1.00 0.00 C ATOM 42 CG HIS A 3 8.469 -7.351 -2.910 1.00 0.00 C ATOM 43 ND1 HIS A 3 9.390 -7.547 -3.929 1.00 0.00 N ATOM 44 CD2 HIS A 3 8.297 -8.579 -2.317 1.00 0.00 C ATOM 45 CE1 HIS A 3 9.733 -8.849 -3.921 1.00 0.00 C ATOM 46 NE2 HIS A 3 9.096 -9.518 -2.960 1.00 0.00 N ATOM 0 H HIS A 3 9.188 -5.671 -0.074 1.00 0.00 H new ATOM 0 HA HIS A 3 9.646 -4.828 -2.904 1.00 0.00 H new ATOM 0 HB2 HIS A 3 7.064 -6.104 -1.888 1.00 0.00 H new ATOM 0 HB3 HIS A 3 7.412 -5.598 -3.529 1.00 0.00 H new ATOM 0 HD2 HIS A 3 7.643 -8.783 -1.482 1.00 0.00 H new ATOM 0 HE1 HIS A 3 10.437 -9.296 -4.608 1.00 0.00 H new ATOM 0 HE2 HIS A 3 9.178 -10.511 -2.742 1.00 0.00 H new ATOM 55 N ALA A 4 8.862 -3.137 -0.619 1.00 0.00 N ATOM 56 CA ALA A 4 8.268 -1.877 -0.085 1.00 0.00 C ATOM 57 C ALA A 4 8.222 -0.809 -1.182 1.00 0.00 C ATOM 58 O ALA A 4 7.317 0.000 -1.229 1.00 0.00 O ATOM 59 CB ALA A 4 9.120 -1.371 1.081 1.00 0.00 C ATOM 0 H ALA A 4 9.715 -3.446 -0.153 1.00 0.00 H new ATOM 0 HA ALA A 4 7.253 -2.078 0.258 1.00 0.00 H new ATOM 0 HB1 ALA A 4 8.689 -0.450 1.474 1.00 0.00 H new ATOM 0 HB2 ALA A 4 9.144 -2.125 1.868 1.00 0.00 H new ATOM 0 HB3 ALA A 4 10.135 -1.177 0.733 1.00 0.00 H new ATOM 65 N SER A 5 9.188 -0.789 -2.059 1.00 0.00 N ATOM 66 CA SER A 5 9.183 0.241 -3.138 1.00 0.00 C ATOM 67 C SER A 5 7.903 0.113 -3.966 1.00 0.00 C ATOM 68 O SER A 5 7.296 1.095 -4.344 1.00 0.00 O ATOM 69 CB SER A 5 10.398 0.040 -4.043 1.00 0.00 C ATOM 70 OG SER A 5 11.577 0.031 -3.251 1.00 0.00 O ATOM 0 H SER A 5 9.976 -1.436 -2.076 1.00 0.00 H new ATOM 0 HA SER A 5 9.225 1.233 -2.689 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.307 -0.898 -4.591 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.450 0.838 -4.784 1.00 0.00 H new ATOM 0 HG SER A 5 12.358 -0.099 -3.828 1.00 0.00 H new ATOM 76 N VAL A 6 7.483 -1.090 -4.241 1.00 0.00 N ATOM 77 CA VAL A 6 6.235 -1.280 -5.033 1.00 0.00 C ATOM 78 C VAL A 6 5.050 -0.735 -4.236 1.00 0.00 C ATOM 79 O VAL A 6 4.118 -0.180 -4.779 1.00 0.00 O ATOM 80 CB VAL A 6 6.024 -2.766 -5.311 1.00 0.00 C ATOM 81 CG1 VAL A 6 4.646 -2.978 -5.940 1.00 0.00 C ATOM 82 CG2 VAL A 6 7.103 -3.263 -6.276 1.00 0.00 C ATOM 0 H VAL A 6 7.949 -1.950 -3.952 1.00 0.00 H new ATOM 0 HA VAL A 6 6.318 -0.747 -5.980 1.00 0.00 H new ATOM 0 HB VAL A 6 6.087 -3.321 -4.375 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.496 -4.039 -6.138 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.875 -2.624 -5.255 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.584 -2.422 -6.875 1.00 0.00 H new ATOM 0 HG21 VAL A 6 6.953 -4.324 -6.475 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.039 -2.706 -7.211 1.00 0.00 H new ATOM 0 HG23 VAL A 6 8.086 -3.113 -5.831 1.00 0.00 H new ATOM 92 N ILE A 7 5.080 -0.906 -2.947 1.00 0.00 N ATOM 93 CA ILE A 7 3.964 -0.413 -2.099 1.00 0.00 C ATOM 94 C ILE A 7 3.887 1.114 -2.157 1.00 0.00 C ATOM 95 O ILE A 7 2.820 1.686 -2.257 1.00 0.00 O ATOM 96 CB ILE A 7 4.209 -0.843 -0.654 1.00 0.00 C ATOM 97 CG1 ILE A 7 4.426 -2.355 -0.590 1.00 0.00 C ATOM 98 CG2 ILE A 7 3.006 -0.466 0.212 1.00 0.00 C ATOM 99 CD1 ILE A 7 3.311 -3.072 -1.343 1.00 0.00 C ATOM 0 H ILE A 7 5.835 -1.369 -2.441 1.00 0.00 H new ATOM 0 HA ILE A 7 3.027 -0.832 -2.466 1.00 0.00 H new ATOM 0 HB ILE A 7 5.098 -0.334 -0.281 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.393 -2.611 -1.024 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.445 -2.685 0.449 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.187 -0.776 1.241 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.858 0.613 0.178 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.115 -0.967 -0.166 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.472 -4.149 -1.293 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.350 -2.828 -0.890 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.312 -2.753 -2.385 1.00 0.00 H new ATOM 111 N ALA A 8 5.004 1.782 -2.064 1.00 0.00 N ATOM 112 CA ALA A 8 4.980 3.272 -2.080 1.00 0.00 C ATOM 113 C ALA A 8 4.454 3.791 -3.420 1.00 0.00 C ATOM 114 O ALA A 8 3.568 4.619 -3.466 1.00 0.00 O ATOM 115 CB ALA A 8 6.396 3.805 -1.850 1.00 0.00 C ATOM 0 H ALA A 8 5.930 1.362 -1.978 1.00 0.00 H new ATOM 0 HA ALA A 8 4.317 3.619 -1.287 1.00 0.00 H new ATOM 0 HB1 ALA A 8 6.381 4.895 -1.861 1.00 0.00 H new ATOM 0 HB2 ALA A 8 6.763 3.457 -0.884 1.00 0.00 H new ATOM 0 HB3 ALA A 8 7.054 3.443 -2.640 1.00 0.00 H new ATOM 121 N GLN A 9 4.988 3.319 -4.509 1.00 0.00 N ATOM 122 CA GLN A 9 4.501 3.802 -5.833 1.00 0.00 C ATOM 123 C GLN A 9 3.088 3.275 -6.082 1.00 0.00 C ATOM 124 O GLN A 9 2.240 3.970 -6.605 1.00 0.00 O ATOM 125 CB GLN A 9 5.439 3.323 -6.946 1.00 0.00 C ATOM 126 CG GLN A 9 5.680 1.821 -6.807 1.00 0.00 C ATOM 127 CD GLN A 9 5.157 1.104 -8.053 1.00 0.00 C ATOM 128 OE1 GLN A 9 3.870 1.008 -8.243 1.00 0.00 O flip ATOM 129 NE2 GLN A 9 5.927 0.627 -8.862 1.00 0.00 N flip ATOM 0 H GLN A 9 5.735 2.625 -4.543 1.00 0.00 H new ATOM 0 HA GLN A 9 4.485 4.892 -5.832 1.00 0.00 H new ATOM 0 HB2 GLN A 9 5.004 3.542 -7.921 1.00 0.00 H new ATOM 0 HB3 GLN A 9 6.386 3.859 -6.892 1.00 0.00 H new ATOM 0 HG2 GLN A 9 6.744 1.623 -6.680 1.00 0.00 H new ATOM 0 HG3 GLN A 9 5.177 1.442 -5.918 1.00 0.00 H new ATOM 0 HE21 GLN A 9 6.933 0.702 -8.714 1.00 0.00 H new ATOM 0 HE22 GLN A 9 5.567 0.152 -9.690 1.00 0.00 H new ATOM 138 N PHE A 10 2.829 2.052 -5.712 1.00 0.00 N ATOM 139 CA PHE A 10 1.470 1.478 -5.932 1.00 0.00 C ATOM 140 C PHE A 10 0.444 2.222 -5.074 1.00 0.00 C ATOM 141 O PHE A 10 -0.576 2.668 -5.558 1.00 0.00 O ATOM 142 CB PHE A 10 1.479 -0.002 -5.546 1.00 0.00 C ATOM 143 CG PHE A 10 0.140 -0.619 -5.874 1.00 0.00 C ATOM 144 CD1 PHE A 10 -0.853 -0.700 -4.890 1.00 0.00 C ATOM 145 CD2 PHE A 10 -0.107 -1.112 -7.160 1.00 0.00 C ATOM 146 CE1 PHE A 10 -2.093 -1.274 -5.193 1.00 0.00 C ATOM 147 CE2 PHE A 10 -1.347 -1.686 -7.464 1.00 0.00 C ATOM 148 CZ PHE A 10 -2.341 -1.768 -6.480 1.00 0.00 C ATOM 0 H PHE A 10 3.499 1.424 -5.267 1.00 0.00 H new ATOM 0 HA PHE A 10 1.200 1.584 -6.983 1.00 0.00 H new ATOM 0 HB2 PHE A 10 2.272 -0.523 -6.082 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.689 -0.109 -4.482 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.662 -0.320 -3.897 1.00 0.00 H new ATOM 0 HD2 PHE A 10 0.659 -1.050 -7.918 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.859 -1.336 -4.434 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.537 -2.066 -8.457 1.00 0.00 H new ATOM 0 HZ PHE A 10 -3.298 -2.212 -6.714 1.00 0.00 H new ATOM 158 N VAL A 11 0.704 2.353 -3.803 1.00 0.00 N ATOM 159 CA VAL A 11 -0.263 3.062 -2.917 1.00 0.00 C ATOM 160 C VAL A 11 -0.303 4.547 -3.279 1.00 0.00 C ATOM 161 O VAL A 11 -1.352 5.161 -3.309 1.00 0.00 O ATOM 162 CB VAL A 11 0.168 2.906 -1.457 1.00 0.00 C ATOM 163 CG1 VAL A 11 1.317 3.869 -1.151 1.00 0.00 C ATOM 164 CG2 VAL A 11 -1.016 3.227 -0.544 1.00 0.00 C ATOM 0 H VAL A 11 1.542 2.001 -3.340 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.255 2.630 -3.052 1.00 0.00 H new ATOM 0 HB VAL A 11 0.500 1.882 -1.286 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.620 3.754 -0.110 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.162 3.646 -1.802 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.988 4.894 -1.322 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.713 3.117 0.497 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.344 4.251 -0.720 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.836 2.542 -0.757 1.00 0.00 H new ATOM 174 N VAL A 12 0.830 5.131 -3.554 1.00 0.00 N ATOM 175 CA VAL A 12 0.857 6.575 -3.912 1.00 0.00 C ATOM 176 C VAL A 12 0.136 6.786 -5.242 1.00 0.00 C ATOM 177 O VAL A 12 -0.596 7.741 -5.417 1.00 0.00 O ATOM 178 CB VAL A 12 2.306 7.038 -4.034 1.00 0.00 C ATOM 179 CG1 VAL A 12 2.341 8.475 -4.553 1.00 0.00 C ATOM 180 CG2 VAL A 12 2.978 6.976 -2.661 1.00 0.00 C ATOM 0 H VAL A 12 1.739 4.669 -3.546 1.00 0.00 H new ATOM 0 HA VAL A 12 0.355 7.153 -3.136 1.00 0.00 H new ATOM 0 HB VAL A 12 2.837 6.388 -4.729 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.376 8.805 -4.640 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.862 8.520 -5.531 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.810 9.126 -3.858 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.013 7.307 -2.747 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.446 7.626 -1.966 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.954 5.951 -2.290 1.00 0.00 H new ATOM 190 N GLU A 13 0.337 5.903 -6.179 1.00 0.00 N ATOM 191 CA GLU A 13 -0.330 6.051 -7.505 1.00 0.00 C ATOM 192 C GLU A 13 -1.836 6.228 -7.311 1.00 0.00 C ATOM 193 O GLU A 13 -2.499 6.879 -8.093 1.00 0.00 O ATOM 194 CB GLU A 13 -0.070 4.806 -8.350 1.00 0.00 C ATOM 195 CG GLU A 13 -0.641 5.012 -9.751 1.00 0.00 C ATOM 196 CD GLU A 13 -0.479 3.727 -10.564 1.00 0.00 C ATOM 197 OE1 GLU A 13 -0.867 3.726 -11.721 1.00 0.00 O ATOM 198 OE2 GLU A 13 0.031 2.763 -10.016 1.00 0.00 O ATOM 0 H GLU A 13 0.936 5.083 -6.085 1.00 0.00 H new ATOM 0 HA GLU A 13 0.073 6.927 -8.012 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.001 4.610 -8.408 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.529 3.935 -7.883 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.694 5.285 -9.689 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.127 5.835 -10.247 1.00 0.00 H new ATOM 205 N GLU A 14 -2.383 5.653 -6.278 1.00 0.00 N ATOM 206 CA GLU A 14 -3.847 5.789 -6.042 1.00 0.00 C ATOM 207 C GLU A 14 -4.180 7.252 -5.742 1.00 0.00 C ATOM 208 O GLU A 14 -5.256 7.727 -6.046 1.00 0.00 O ATOM 209 CB GLU A 14 -4.254 4.916 -4.853 1.00 0.00 C ATOM 210 CG GLU A 14 -4.028 3.442 -5.201 1.00 0.00 C ATOM 211 CD GLU A 14 -4.489 2.566 -4.036 1.00 0.00 C ATOM 212 OE1 GLU A 14 -4.778 3.114 -2.985 1.00 0.00 O ATOM 213 OE2 GLU A 14 -4.543 1.360 -4.213 1.00 0.00 O ATOM 0 H GLU A 14 -1.881 5.095 -5.587 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.392 5.468 -6.930 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.671 5.187 -3.973 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.302 5.086 -4.605 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.579 3.182 -6.105 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.973 3.264 -5.408 1.00 0.00 H new ATOM 220 N PHE A 15 -3.265 7.970 -5.150 1.00 0.00 N ATOM 221 CA PHE A 15 -3.534 9.402 -4.834 1.00 0.00 C ATOM 222 C PHE A 15 -2.240 10.210 -4.979 1.00 0.00 C ATOM 223 O PHE A 15 -1.920 11.037 -4.150 1.00 0.00 O ATOM 224 CB PHE A 15 -4.056 9.517 -3.399 1.00 0.00 C ATOM 225 CG PHE A 15 -2.965 9.137 -2.426 1.00 0.00 C ATOM 226 CD1 PHE A 15 -2.679 7.788 -2.189 1.00 0.00 C ATOM 227 CD2 PHE A 15 -2.244 10.134 -1.756 1.00 0.00 C ATOM 228 CE1 PHE A 15 -1.671 7.435 -1.283 1.00 0.00 C ATOM 229 CE2 PHE A 15 -1.237 9.781 -0.851 1.00 0.00 C ATOM 230 CZ PHE A 15 -0.949 8.432 -0.615 1.00 0.00 C ATOM 0 H PHE A 15 -2.345 7.628 -4.872 1.00 0.00 H new ATOM 0 HA PHE A 15 -4.282 9.794 -5.523 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -4.391 10.536 -3.205 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -4.920 8.866 -3.263 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -3.235 7.019 -2.705 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.466 11.175 -1.938 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -1.450 6.394 -1.099 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -0.682 10.550 -0.334 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.170 8.160 0.082 1.00 0.00 H new ATOM 240 N LEU A 16 -1.491 9.979 -6.025 1.00 0.00 N ATOM 241 CA LEU A 16 -0.223 10.736 -6.208 1.00 0.00 C ATOM 242 C LEU A 16 -0.518 12.126 -6.799 1.00 0.00 C ATOM 243 O LEU A 16 -1.220 12.245 -7.783 1.00 0.00 O ATOM 244 CB LEU A 16 0.731 9.947 -7.129 1.00 0.00 C ATOM 245 CG LEU A 16 0.478 10.236 -8.619 1.00 0.00 C ATOM 246 CD1 LEU A 16 1.523 9.490 -9.450 1.00 0.00 C ATOM 247 CD2 LEU A 16 -0.918 9.750 -9.030 1.00 0.00 C ATOM 0 H LEU A 16 -1.703 9.301 -6.757 1.00 0.00 H new ATOM 0 HA LEU A 16 0.258 10.868 -5.239 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.762 10.200 -6.882 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.612 8.880 -6.943 1.00 0.00 H new ATOM 0 HG LEU A 16 0.545 11.311 -8.789 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.354 9.687 -10.509 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.520 9.831 -9.172 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.440 8.419 -9.262 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.081 9.962 -10.087 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.994 8.676 -8.860 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.672 10.266 -8.436 1.00 0.00 H new ATOM 259 N PRO A 17 0.022 13.174 -6.223 1.00 0.00 N ATOM 260 CA PRO A 17 -0.190 14.551 -6.743 1.00 0.00 C ATOM 261 C PRO A 17 0.669 14.796 -7.988 1.00 0.00 C ATOM 262 O PRO A 17 1.013 13.874 -8.702 1.00 0.00 O ATOM 263 CB PRO A 17 0.253 15.445 -5.584 1.00 0.00 C ATOM 264 CG PRO A 17 1.271 14.645 -4.846 1.00 0.00 C ATOM 265 CD PRO A 17 0.886 13.177 -5.026 1.00 0.00 C ATOM 0 HA PRO A 17 -1.219 14.739 -7.049 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.675 16.382 -5.947 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -0.588 15.703 -4.941 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.271 14.834 -5.237 1.00 0.00 H new ATOM 0 HG3 PRO A 17 1.285 14.915 -3.790 1.00 0.00 H new ATOM 0 HD2 PRO A 17 1.766 12.549 -5.168 1.00 0.00 H new ATOM 0 HD3 PRO A 17 0.358 12.794 -4.153 1.00 0.00 H new ATOM 273 N ASP A 18 1.029 16.016 -8.252 1.00 0.00 N ATOM 274 CA ASP A 18 1.873 16.296 -9.443 1.00 0.00 C ATOM 275 C ASP A 18 3.324 15.937 -9.118 1.00 0.00 C ATOM 276 O ASP A 18 4.244 16.352 -9.796 1.00 0.00 O ATOM 277 CB ASP A 18 1.777 17.779 -9.789 1.00 0.00 C ATOM 278 CG ASP A 18 0.361 18.103 -10.271 1.00 0.00 C ATOM 279 OD1 ASP A 18 0.045 19.277 -10.370 1.00 0.00 O ATOM 280 OD2 ASP A 18 -0.382 17.172 -10.534 1.00 0.00 O ATOM 0 H ASP A 18 0.776 16.833 -7.695 1.00 0.00 H new ATOM 0 HA ASP A 18 1.530 15.704 -10.292 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.022 18.383 -8.915 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.502 18.030 -10.563 1.00 0.00 H new ATOM 285 N VAL A 19 3.535 15.174 -8.074 1.00 0.00 N ATOM 286 CA VAL A 19 4.924 14.791 -7.689 1.00 0.00 C ATOM 287 C VAL A 19 5.117 13.284 -7.877 1.00 0.00 C ATOM 288 O VAL A 19 4.276 12.490 -7.502 1.00 0.00 O ATOM 289 CB VAL A 19 5.152 15.149 -6.220 1.00 0.00 C ATOM 290 CG1 VAL A 19 6.606 14.868 -5.844 1.00 0.00 C ATOM 291 CG2 VAL A 19 4.847 16.635 -6.005 1.00 0.00 C ATOM 0 H VAL A 19 2.802 14.800 -7.472 1.00 0.00 H new ATOM 0 HA VAL A 19 5.636 15.326 -8.318 1.00 0.00 H new ATOM 0 HB VAL A 19 4.494 14.547 -5.594 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.767 15.124 -4.797 1.00 0.00 H new ATOM 0 HG12 VAL A 19 6.824 13.811 -5.997 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.266 15.469 -6.470 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.009 16.892 -4.958 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.505 17.236 -6.632 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.809 16.836 -6.271 1.00 0.00 H new ATOM 301 N ALA A 20 6.219 12.882 -8.448 1.00 0.00 N ATOM 302 CA ALA A 20 6.463 11.427 -8.651 1.00 0.00 C ATOM 303 C ALA A 20 6.830 10.782 -7.303 1.00 0.00 C ATOM 304 O ALA A 20 7.542 11.373 -6.514 1.00 0.00 O ATOM 305 CB ALA A 20 7.622 11.239 -9.633 1.00 0.00 C ATOM 0 H ALA A 20 6.960 13.498 -8.782 1.00 0.00 H new ATOM 0 HA ALA A 20 5.565 10.957 -9.051 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.803 10.175 -9.783 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.370 11.702 -10.587 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.520 11.706 -9.229 1.00 0.00 H new ATOM 311 N PRO A 21 6.366 9.580 -7.030 1.00 0.00 N ATOM 312 CA PRO A 21 6.686 8.886 -5.750 1.00 0.00 C ATOM 313 C PRO A 21 8.186 8.912 -5.443 1.00 0.00 C ATOM 314 O PRO A 21 8.598 8.943 -4.301 1.00 0.00 O ATOM 315 CB PRO A 21 6.230 7.444 -5.978 1.00 0.00 C ATOM 316 CG PRO A 21 5.223 7.496 -7.081 1.00 0.00 C ATOM 317 CD PRO A 21 5.493 8.764 -7.893 1.00 0.00 C ATOM 0 HA PRO A 21 6.197 9.368 -4.904 1.00 0.00 H new ATOM 0 HB2 PRO A 21 7.072 6.807 -6.249 1.00 0.00 H new ATOM 0 HB3 PRO A 21 5.793 7.026 -5.071 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.302 6.612 -7.714 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.211 7.509 -6.676 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.978 8.532 -8.841 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.567 9.288 -8.129 1.00 0.00 H new ATOM 325 N ALA A 22 9.002 8.903 -6.460 1.00 0.00 N ATOM 326 CA ALA A 22 10.476 8.931 -6.240 1.00 0.00 C ATOM 327 C ALA A 22 10.872 10.269 -5.612 1.00 0.00 C ATOM 328 O ALA A 22 11.903 10.392 -4.983 1.00 0.00 O ATOM 329 CB ALA A 22 11.191 8.766 -7.582 1.00 0.00 C ATOM 0 H ALA A 22 8.711 8.877 -7.437 1.00 0.00 H new ATOM 0 HA ALA A 22 10.761 8.118 -5.572 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.269 8.786 -7.425 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.907 7.814 -8.031 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.906 9.580 -8.248 1.00 0.00 H new ATOM 335 N ASP A 23 10.056 11.270 -5.781 1.00 0.00 N ATOM 336 CA ASP A 23 10.373 12.604 -5.198 1.00 0.00 C ATOM 337 C ASP A 23 9.659 12.740 -3.855 1.00 0.00 C ATOM 338 O ASP A 23 9.738 13.757 -3.194 1.00 0.00 O ATOM 339 CB ASP A 23 9.899 13.704 -6.149 1.00 0.00 C ATOM 340 CG ASP A 23 10.733 13.666 -7.430 1.00 0.00 C ATOM 341 OD1 ASP A 23 10.342 14.314 -8.388 1.00 0.00 O ATOM 342 OD2 ASP A 23 11.749 12.990 -7.433 1.00 0.00 O ATOM 0 H ASP A 23 9.179 11.222 -6.300 1.00 0.00 H new ATOM 0 HA ASP A 23 11.449 12.699 -5.053 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.844 13.565 -6.385 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.993 14.679 -5.670 1.00 0.00 H new ATOM 347 N VAL A 24 8.969 11.714 -3.446 1.00 0.00 N ATOM 348 CA VAL A 24 8.253 11.764 -2.144 1.00 0.00 C ATOM 349 C VAL A 24 9.030 10.928 -1.132 1.00 0.00 C ATOM 350 O VAL A 24 9.491 9.844 -1.435 1.00 0.00 O ATOM 351 CB VAL A 24 6.846 11.188 -2.309 1.00 0.00 C ATOM 352 CG1 VAL A 24 6.084 11.309 -0.987 1.00 0.00 C ATOM 353 CG2 VAL A 24 6.101 11.965 -3.398 1.00 0.00 C ATOM 0 H VAL A 24 8.870 10.839 -3.961 1.00 0.00 H new ATOM 0 HA VAL A 24 8.177 12.795 -1.799 1.00 0.00 H new ATOM 0 HB VAL A 24 6.916 10.138 -2.593 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.081 10.898 -1.106 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.613 10.756 -0.210 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.014 12.359 -0.702 1.00 0.00 H new ATOM 0 HG21 VAL A 24 5.098 11.555 -3.516 1.00 0.00 H new ATOM 0 HG22 VAL A 24 6.033 13.015 -3.114 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.641 11.879 -4.341 1.00 0.00 H new ATOM 363 N ASP A 25 9.194 11.417 0.063 1.00 0.00 N ATOM 364 CA ASP A 25 9.956 10.638 1.072 1.00 0.00 C ATOM 365 C ASP A 25 9.128 9.431 1.509 1.00 0.00 C ATOM 366 O ASP A 25 8.271 9.530 2.366 1.00 0.00 O ATOM 367 CB ASP A 25 10.251 11.523 2.284 1.00 0.00 C ATOM 368 CG ASP A 25 11.187 10.782 3.241 1.00 0.00 C ATOM 369 OD1 ASP A 25 11.396 11.277 4.336 1.00 0.00 O ATOM 370 OD2 ASP A 25 11.680 9.732 2.859 1.00 0.00 O ATOM 0 H ASP A 25 8.836 12.317 0.383 1.00 0.00 H new ATOM 0 HA ASP A 25 10.896 10.297 0.637 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.709 12.458 1.962 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.323 11.781 2.794 1.00 0.00 H new ATOM 375 N VAL A 26 9.378 8.289 0.928 1.00 0.00 N ATOM 376 CA VAL A 26 8.604 7.075 1.313 1.00 0.00 C ATOM 377 C VAL A 26 8.807 6.801 2.805 1.00 0.00 C ATOM 378 O VAL A 26 8.264 5.862 3.353 1.00 0.00 O ATOM 379 CB VAL A 26 9.099 5.877 0.502 1.00 0.00 C ATOM 380 CG1 VAL A 26 9.003 6.198 -0.992 1.00 0.00 C ATOM 381 CG2 VAL A 26 10.556 5.581 0.866 1.00 0.00 C ATOM 0 H VAL A 26 10.083 8.145 0.205 1.00 0.00 H new ATOM 0 HA VAL A 26 7.545 7.236 1.111 1.00 0.00 H new ATOM 0 HB VAL A 26 8.483 5.006 0.728 1.00 0.00 H new ATOM 0 HG11 VAL A 26 9.356 5.344 -1.571 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.966 6.410 -1.253 1.00 0.00 H new ATOM 0 HG13 VAL A 26 9.619 7.069 -1.217 1.00 0.00 H new ATOM 0 HG21 VAL A 26 10.909 4.727 0.288 1.00 0.00 H new ATOM 0 HG22 VAL A 26 11.172 6.452 0.640 1.00 0.00 H new ATOM 0 HG23 VAL A 26 10.626 5.353 1.930 1.00 0.00 H new ATOM 391 N ASP A 27 9.575 7.622 3.468 1.00 0.00 N ATOM 392 CA ASP A 27 9.800 7.420 4.927 1.00 0.00 C ATOM 393 C ASP A 27 8.759 8.228 5.702 1.00 0.00 C ATOM 394 O ASP A 27 8.816 8.345 6.910 1.00 0.00 O ATOM 395 CB ASP A 27 11.204 7.900 5.303 1.00 0.00 C ATOM 396 CG ASP A 27 12.248 7.013 4.623 1.00 0.00 C ATOM 397 OD1 ASP A 27 13.405 7.401 4.602 1.00 0.00 O ATOM 398 OD2 ASP A 27 11.873 5.959 4.134 1.00 0.00 O ATOM 0 H ASP A 27 10.056 8.424 3.062 1.00 0.00 H new ATOM 0 HA ASP A 27 9.708 6.362 5.172 1.00 0.00 H new ATOM 0 HB2 ASP A 27 11.339 8.938 4.997 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.333 7.867 6.385 1.00 0.00 H new ATOM 403 N LEU A 28 7.807 8.789 5.007 1.00 0.00 N ATOM 404 CA LEU A 28 6.754 9.596 5.683 1.00 0.00 C ATOM 405 C LEU A 28 5.576 8.695 6.038 1.00 0.00 C ATOM 406 O LEU A 28 5.110 7.919 5.229 1.00 0.00 O ATOM 407 CB LEU A 28 6.270 10.693 4.730 1.00 0.00 C ATOM 408 CG LEU A 28 5.281 11.616 5.450 1.00 0.00 C ATOM 409 CD1 LEU A 28 6.039 12.776 6.093 1.00 0.00 C ATOM 410 CD2 LEU A 28 4.267 12.160 4.439 1.00 0.00 C ATOM 0 H LEU A 28 7.714 8.722 3.993 1.00 0.00 H new ATOM 0 HA LEU A 28 7.163 10.043 6.589 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.120 11.271 4.366 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.793 10.244 3.859 1.00 0.00 H new ATOM 0 HG LEU A 28 4.757 11.056 6.225 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.335 13.432 6.605 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.760 12.386 6.812 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.564 13.339 5.322 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.562 12.817 4.948 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.790 12.720 3.664 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.726 11.330 3.984 1.00 0.00 H new ATOM 422 N ASP A 29 5.077 8.801 7.237 1.00 0.00 N ATOM 423 CA ASP A 29 3.917 7.959 7.618 1.00 0.00 C ATOM 424 C ASP A 29 2.717 8.396 6.781 1.00 0.00 C ATOM 425 O ASP A 29 2.317 9.544 6.807 1.00 0.00 O ATOM 426 CB ASP A 29 3.608 8.146 9.105 1.00 0.00 C ATOM 427 CG ASP A 29 4.755 7.576 9.941 1.00 0.00 C ATOM 428 OD1 ASP A 29 5.584 6.881 9.377 1.00 0.00 O ATOM 429 OD2 ASP A 29 4.784 7.843 11.131 1.00 0.00 O ATOM 0 H ASP A 29 5.421 9.430 7.963 1.00 0.00 H new ATOM 0 HA ASP A 29 4.139 6.907 7.438 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.472 9.204 9.329 1.00 0.00 H new ATOM 0 HB3 ASP A 29 2.674 7.644 9.359 1.00 0.00 H new ATOM 434 N LEU A 30 2.150 7.501 6.025 1.00 0.00 N ATOM 435 CA LEU A 30 0.990 7.882 5.177 1.00 0.00 C ATOM 436 C LEU A 30 -0.258 8.043 6.047 1.00 0.00 C ATOM 437 O LEU A 30 -1.356 8.186 5.548 1.00 0.00 O ATOM 438 CB LEU A 30 0.750 6.801 4.120 1.00 0.00 C ATOM 439 CG LEU A 30 0.357 5.495 4.808 1.00 0.00 C ATOM 440 CD1 LEU A 30 -1.098 5.161 4.475 1.00 0.00 C ATOM 441 CD2 LEU A 30 1.265 4.367 4.315 1.00 0.00 C ATOM 0 H LEU A 30 2.438 6.525 5.958 1.00 0.00 H new ATOM 0 HA LEU A 30 1.202 8.829 4.681 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.038 7.115 3.435 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.651 6.654 3.524 1.00 0.00 H new ATOM 0 HG LEU A 30 0.466 5.605 5.887 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.379 4.229 4.966 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.745 5.965 4.825 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.208 5.051 3.396 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.986 3.434 4.805 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.155 4.257 3.236 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.302 4.605 4.552 1.00 0.00 H new ATOM 453 N VAL A 31 -0.102 8.026 7.344 1.00 0.00 N ATOM 454 CA VAL A 31 -1.290 8.186 8.229 1.00 0.00 C ATOM 455 C VAL A 31 -2.049 9.437 7.804 1.00 0.00 C ATOM 456 O VAL A 31 -3.265 9.458 7.770 1.00 0.00 O ATOM 457 CB VAL A 31 -0.835 8.326 9.682 1.00 0.00 C ATOM 458 CG1 VAL A 31 -0.269 9.730 9.908 1.00 0.00 C ATOM 459 CG2 VAL A 31 -2.030 8.104 10.613 1.00 0.00 C ATOM 0 H VAL A 31 0.790 7.909 7.825 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.937 7.313 8.145 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.064 7.585 9.894 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.055 9.829 10.944 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.581 9.891 9.245 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.040 10.471 9.696 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.707 8.203 11.649 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.800 8.846 10.400 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.435 7.105 10.453 1.00 0.00 H new ATOM 469 N ASP A 32 -1.344 10.473 7.449 1.00 0.00 N ATOM 470 CA ASP A 32 -2.032 11.709 6.993 1.00 0.00 C ATOM 471 C ASP A 32 -2.917 11.335 5.808 1.00 0.00 C ATOM 472 O ASP A 32 -4.006 11.846 5.634 1.00 0.00 O ATOM 473 CB ASP A 32 -0.996 12.749 6.559 1.00 0.00 C ATOM 474 CG ASP A 32 -0.201 13.218 7.778 1.00 0.00 C ATOM 475 OD1 ASP A 32 0.814 13.867 7.584 1.00 0.00 O ATOM 476 OD2 ASP A 32 -0.618 12.919 8.884 1.00 0.00 O ATOM 0 H ASP A 32 -0.325 10.517 7.455 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.630 12.134 7.799 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.323 12.320 5.816 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.492 13.597 6.087 1.00 0.00 H new ATOM 481 N ASN A 33 -2.451 10.421 5.002 1.00 0.00 N ATOM 482 CA ASN A 33 -3.242 9.968 3.830 1.00 0.00 C ATOM 483 C ASN A 33 -4.206 8.875 4.288 1.00 0.00 C ATOM 484 O ASN A 33 -4.719 8.111 3.494 1.00 0.00 O ATOM 485 CB ASN A 33 -2.307 9.410 2.765 1.00 0.00 C ATOM 486 CG ASN A 33 -1.291 10.479 2.372 1.00 0.00 C ATOM 487 OD1 ASN A 33 -1.644 11.620 2.144 1.00 0.00 O ATOM 488 ND2 ASN A 33 -0.034 10.157 2.289 1.00 0.00 N ATOM 0 H ASN A 33 -1.545 9.965 5.109 1.00 0.00 H new ATOM 0 HA ASN A 33 -3.798 10.806 3.409 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.793 8.526 3.143 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -2.879 9.097 1.891 1.00 0.00 H new ATOM 0 HD21 ASN A 33 0.657 10.862 2.032 1.00 0.00 H new ATOM 0 HD22 ASN A 33 0.261 9.200 2.481 1.00 0.00 H new ATOM 495 N GLY A 34 -4.443 8.797 5.570 1.00 0.00 N ATOM 496 CA GLY A 34 -5.368 7.762 6.113 1.00 0.00 C ATOM 497 C GLY A 34 -6.605 7.664 5.222 1.00 0.00 C ATOM 498 O GLY A 34 -7.376 6.733 5.313 1.00 0.00 O ATOM 0 H GLY A 34 -4.031 9.413 6.271 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.863 6.797 6.160 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.660 8.019 7.131 1.00 0.00 H new ATOM 502 N VAL A 35 -6.801 8.617 4.356 1.00 0.00 N ATOM 503 CA VAL A 35 -7.989 8.569 3.462 1.00 0.00 C ATOM 504 C VAL A 35 -8.050 7.197 2.791 1.00 0.00 C ATOM 505 O VAL A 35 -9.110 6.654 2.553 1.00 0.00 O ATOM 506 CB VAL A 35 -7.863 9.655 2.391 1.00 0.00 C ATOM 507 CG1 VAL A 35 -8.925 9.438 1.312 1.00 0.00 C ATOM 508 CG2 VAL A 35 -8.065 11.030 3.033 1.00 0.00 C ATOM 0 H VAL A 35 -6.192 9.425 4.229 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.896 8.737 4.042 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.872 9.604 1.940 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.833 10.212 0.550 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.783 8.459 0.853 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -9.916 9.487 1.762 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.975 11.804 2.271 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.056 11.079 3.485 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.308 11.188 3.801 1.00 0.00 H new ATOM 518 N ILE A 36 -6.915 6.633 2.482 1.00 0.00 N ATOM 519 CA ILE A 36 -6.894 5.296 1.826 1.00 0.00 C ATOM 520 C ILE A 36 -7.343 4.219 2.816 1.00 0.00 C ATOM 521 O ILE A 36 -7.782 3.152 2.433 1.00 0.00 O ATOM 522 CB ILE A 36 -5.469 4.977 1.381 1.00 0.00 C ATOM 523 CG1 ILE A 36 -5.497 3.877 0.320 1.00 0.00 C ATOM 524 CG2 ILE A 36 -4.670 4.487 2.589 1.00 0.00 C ATOM 525 CD1 ILE A 36 -4.136 3.182 0.266 1.00 0.00 C ATOM 0 H ILE A 36 -5.997 7.043 2.657 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.568 5.312 0.969 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.007 5.872 0.964 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.278 3.153 0.553 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.738 4.303 -0.654 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.650 4.256 2.281 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.652 5.264 3.353 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.138 3.590 2.995 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.158 2.398 -0.491 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.365 3.910 0.012 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.913 2.742 1.238 1.00 0.00 H new ATOM 537 N ASP A 37 -7.212 4.478 4.086 1.00 0.00 N ATOM 538 CA ASP A 37 -7.601 3.463 5.105 1.00 0.00 C ATOM 539 C ASP A 37 -9.049 3.016 4.898 1.00 0.00 C ATOM 540 O ASP A 37 -9.398 1.888 5.188 1.00 0.00 O ATOM 541 CB ASP A 37 -7.453 4.060 6.506 1.00 0.00 C ATOM 542 CG ASP A 37 -5.979 4.369 6.778 1.00 0.00 C ATOM 543 OD1 ASP A 37 -5.710 5.081 7.731 1.00 0.00 O ATOM 544 OD2 ASP A 37 -5.145 3.888 6.028 1.00 0.00 O ATOM 0 H ASP A 37 -6.850 5.353 4.465 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.947 2.598 4.998 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.047 4.970 6.589 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.833 3.362 7.252 1.00 0.00 H new ATOM 549 N SER A 38 -9.902 3.888 4.429 1.00 0.00 N ATOM 550 CA SER A 38 -11.331 3.501 4.239 1.00 0.00 C ATOM 551 C SER A 38 -11.728 3.559 2.761 1.00 0.00 C ATOM 552 O SER A 38 -12.080 2.559 2.165 1.00 0.00 O ATOM 553 CB SER A 38 -12.216 4.460 5.035 1.00 0.00 C ATOM 554 OG SER A 38 -13.135 3.703 5.834 1.00 0.00 O ATOM 0 H SER A 38 -9.673 4.848 4.170 1.00 0.00 H new ATOM 0 HA SER A 38 -11.463 2.478 4.590 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.602 5.097 5.672 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.761 5.117 4.358 1.00 0.00 H new ATOM 559 N LEU A 39 -11.703 4.719 2.169 1.00 0.00 N ATOM 560 CA LEU A 39 -12.110 4.831 0.739 1.00 0.00 C ATOM 561 C LEU A 39 -11.170 4.016 -0.141 1.00 0.00 C ATOM 562 O LEU A 39 -11.593 3.195 -0.930 1.00 0.00 O ATOM 563 CB LEU A 39 -12.052 6.293 0.312 1.00 0.00 C ATOM 564 CG LEU A 39 -12.837 7.155 1.300 1.00 0.00 C ATOM 565 CD1 LEU A 39 -13.046 8.539 0.697 1.00 0.00 C ATOM 566 CD2 LEU A 39 -14.198 6.518 1.590 1.00 0.00 C ATOM 0 H LEU A 39 -11.419 5.593 2.611 1.00 0.00 H new ATOM 0 HA LEU A 39 -13.125 4.449 0.628 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -11.015 6.627 0.268 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -12.466 6.405 -0.690 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.277 7.234 2.232 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -13.606 9.160 1.397 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.078 8.999 0.498 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.604 8.449 -0.235 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -14.748 7.141 2.295 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -14.764 6.432 0.663 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -14.052 5.527 2.019 1.00 0.00 H new ATOM 578 N GLY A 40 -9.896 4.235 -0.013 1.00 0.00 N ATOM 579 CA GLY A 40 -8.926 3.471 -0.839 1.00 0.00 C ATOM 580 C GLY A 40 -8.888 2.020 -0.371 1.00 0.00 C ATOM 581 O GLY A 40 -8.763 1.104 -1.160 1.00 0.00 O ATOM 0 H GLY A 40 -9.483 4.911 0.629 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.212 3.518 -1.890 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.934 3.916 -0.758 1.00 0.00 H new ATOM 585 N LEU A 41 -8.994 1.800 0.911 1.00 0.00 N ATOM 586 CA LEU A 41 -8.963 0.403 1.426 1.00 0.00 C ATOM 587 C LEU A 41 -10.100 -0.390 0.790 1.00 0.00 C ATOM 588 O LEU A 41 -9.936 -1.529 0.402 1.00 0.00 O ATOM 589 CB LEU A 41 -9.126 0.410 2.950 1.00 0.00 C ATOM 590 CG LEU A 41 -9.071 -1.032 3.479 1.00 0.00 C ATOM 591 CD1 LEU A 41 -8.754 -1.020 4.976 1.00 0.00 C ATOM 592 CD2 LEU A 41 -10.416 -1.742 3.256 1.00 0.00 C ATOM 0 H LEU A 41 -9.100 2.524 1.621 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.009 -0.059 1.173 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.337 1.007 3.408 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.075 0.873 3.223 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.292 -1.568 2.937 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.716 -2.044 5.348 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.790 -0.538 5.140 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.530 -0.470 5.508 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.357 -2.761 3.637 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.204 -1.203 3.782 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.643 -1.766 2.190 1.00 0.00 H new ATOM 604 N LEU A 42 -11.250 0.205 0.674 1.00 0.00 N ATOM 605 CA LEU A 42 -12.393 -0.519 0.056 1.00 0.00 C ATOM 606 C LEU A 42 -12.031 -0.877 -1.386 1.00 0.00 C ATOM 607 O LEU A 42 -12.266 -1.980 -1.841 1.00 0.00 O ATOM 608 CB LEU A 42 -13.634 0.381 0.069 1.00 0.00 C ATOM 609 CG LEU A 42 -14.849 -0.398 -0.433 1.00 0.00 C ATOM 610 CD1 LEU A 42 -15.425 -1.233 0.708 1.00 0.00 C ATOM 611 CD2 LEU A 42 -15.913 0.584 -0.930 1.00 0.00 C ATOM 0 H LEU A 42 -11.449 1.158 0.979 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.605 -1.428 0.618 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -13.818 0.746 1.079 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -13.466 1.255 -0.560 1.00 0.00 H new ATOM 0 HG LEU A 42 -14.548 -1.055 -1.249 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -16.292 -1.789 0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -14.668 -1.931 1.066 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -15.727 -0.576 1.524 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -16.780 0.030 -1.289 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -16.214 1.239 -0.112 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -15.504 1.183 -1.743 1.00 0.00 H new ATOM 623 N LYS A 43 -11.456 0.046 -2.108 1.00 0.00 N ATOM 624 CA LYS A 43 -11.071 -0.240 -3.515 1.00 0.00 C ATOM 625 C LYS A 43 -9.934 -1.265 -3.549 1.00 0.00 C ATOM 626 O LYS A 43 -9.911 -2.155 -4.376 1.00 0.00 O ATOM 627 CB LYS A 43 -10.611 1.055 -4.180 1.00 0.00 C ATOM 628 CG LYS A 43 -11.786 2.031 -4.270 1.00 0.00 C ATOM 629 CD LYS A 43 -11.355 3.280 -5.040 1.00 0.00 C ATOM 630 CE LYS A 43 -12.489 4.307 -5.026 1.00 0.00 C ATOM 631 NZ LYS A 43 -12.549 4.998 -6.345 1.00 0.00 N ATOM 0 H LYS A 43 -11.237 0.987 -1.781 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.930 -0.646 -4.050 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.798 1.501 -3.607 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -10.222 0.846 -5.176 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.630 1.556 -4.770 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.122 2.305 -3.270 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.459 3.706 -4.589 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -11.101 3.017 -6.067 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.438 3.814 -4.818 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -12.326 5.033 -4.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -13.320 5.696 -6.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.646 5.481 -6.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.723 4.299 -7.095 1.00 0.00 H new ATOM 645 N VAL A 44 -8.984 -1.140 -2.660 1.00 0.00 N ATOM 646 CA VAL A 44 -7.841 -2.098 -2.645 1.00 0.00 C ATOM 647 C VAL A 44 -8.334 -3.500 -2.284 1.00 0.00 C ATOM 648 O VAL A 44 -7.927 -4.482 -2.874 1.00 0.00 O ATOM 649 CB VAL A 44 -6.809 -1.641 -1.613 1.00 0.00 C ATOM 650 CG1 VAL A 44 -5.724 -2.707 -1.468 1.00 0.00 C ATOM 651 CG2 VAL A 44 -6.173 -0.328 -2.076 1.00 0.00 C ATOM 0 H VAL A 44 -8.951 -0.415 -1.943 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.386 -2.125 -3.635 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.300 -1.490 -0.652 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.989 -2.380 -0.732 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.175 -3.643 -1.139 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.233 -2.859 -2.429 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.437 -0.001 -1.341 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.683 -0.480 -3.038 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.946 0.434 -2.179 1.00 0.00 H new ATOM 661 N ILE A 45 -9.200 -3.605 -1.317 1.00 0.00 N ATOM 662 CA ILE A 45 -9.711 -4.944 -0.918 1.00 0.00 C ATOM 663 C ILE A 45 -10.385 -5.616 -2.117 1.00 0.00 C ATOM 664 O ILE A 45 -10.097 -6.750 -2.445 1.00 0.00 O ATOM 665 CB ILE A 45 -10.716 -4.772 0.226 1.00 0.00 C ATOM 666 CG1 ILE A 45 -10.019 -5.034 1.565 1.00 0.00 C ATOM 667 CG2 ILE A 45 -11.877 -5.755 0.060 1.00 0.00 C ATOM 668 CD1 ILE A 45 -8.706 -4.251 1.636 1.00 0.00 C ATOM 0 H ILE A 45 -9.577 -2.820 -0.785 1.00 0.00 H new ATOM 0 HA ILE A 45 -8.886 -5.573 -0.584 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.103 -3.753 0.205 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.672 -4.740 2.387 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -9.822 -6.100 1.679 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -12.585 -5.624 0.878 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -12.380 -5.567 -0.888 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.494 -6.776 0.072 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.218 -4.444 2.592 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.050 -4.566 0.824 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.913 -3.185 1.543 1.00 0.00 H new ATOM 680 N ALA A 46 -11.277 -4.929 -2.774 1.00 0.00 N ATOM 681 CA ALA A 46 -11.960 -5.538 -3.949 1.00 0.00 C ATOM 682 C ALA A 46 -10.940 -5.777 -5.063 1.00 0.00 C ATOM 683 O ALA A 46 -10.999 -6.764 -5.770 1.00 0.00 O ATOM 684 CB ALA A 46 -13.053 -4.592 -4.451 1.00 0.00 C ATOM 0 H ALA A 46 -11.562 -3.976 -2.549 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.409 -6.488 -3.657 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.553 -5.038 -5.311 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.780 -4.422 -3.657 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.606 -3.642 -4.743 1.00 0.00 H new ATOM 690 N TRP A 47 -10.002 -4.884 -5.223 1.00 0.00 N ATOM 691 CA TRP A 47 -8.978 -5.064 -6.287 1.00 0.00 C ATOM 692 C TRP A 47 -8.061 -6.229 -5.927 1.00 0.00 C ATOM 693 O TRP A 47 -7.723 -7.048 -6.759 1.00 0.00 O ATOM 694 CB TRP A 47 -8.143 -3.789 -6.419 1.00 0.00 C ATOM 695 CG TRP A 47 -6.891 -4.098 -7.174 1.00 0.00 C ATOM 696 CD1 TRP A 47 -6.814 -4.280 -8.512 1.00 0.00 C ATOM 697 CD2 TRP A 47 -5.540 -4.267 -6.658 1.00 0.00 C ATOM 698 NE1 TRP A 47 -5.500 -4.552 -8.850 1.00 0.00 N ATOM 699 CE2 TRP A 47 -4.676 -4.554 -7.742 1.00 0.00 C ATOM 700 CE3 TRP A 47 -4.984 -4.200 -5.369 1.00 0.00 C ATOM 701 CZ2 TRP A 47 -3.310 -4.767 -7.553 1.00 0.00 C ATOM 702 CZ3 TRP A 47 -3.609 -4.414 -5.174 1.00 0.00 C ATOM 703 CH2 TRP A 47 -2.775 -4.697 -6.264 1.00 0.00 C ATOM 0 H TRP A 47 -9.902 -4.038 -4.662 1.00 0.00 H new ATOM 0 HA TRP A 47 -9.479 -5.273 -7.232 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.714 -3.018 -6.937 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -7.899 -3.396 -5.432 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -7.642 -4.222 -9.203 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -5.179 -4.729 -9.802 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -5.618 -3.982 -4.522 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -2.671 -4.984 -8.396 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.193 -4.360 -4.179 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -1.719 -4.861 -6.108 1.00 0.00 H new ATOM 714 N LEU A 48 -7.645 -6.304 -4.695 1.00 0.00 N ATOM 715 CA LEU A 48 -6.740 -7.407 -4.285 1.00 0.00 C ATOM 716 C LEU A 48 -7.406 -8.749 -4.587 1.00 0.00 C ATOM 717 O LEU A 48 -6.811 -9.630 -5.175 1.00 0.00 O ATOM 718 CB LEU A 48 -6.468 -7.295 -2.785 1.00 0.00 C ATOM 719 CG LEU A 48 -5.397 -8.297 -2.376 1.00 0.00 C ATOM 720 CD1 LEU A 48 -4.020 -7.714 -2.682 1.00 0.00 C ATOM 721 CD2 LEU A 48 -5.514 -8.576 -0.878 1.00 0.00 C ATOM 0 H LEU A 48 -7.894 -5.648 -3.955 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.801 -7.340 -4.834 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.144 -6.283 -2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.385 -7.481 -2.225 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.529 -9.226 -2.930 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.250 -8.428 -2.391 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.940 -7.510 -3.750 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.885 -6.787 -2.124 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.749 -9.293 -0.581 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.377 -7.648 -0.323 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.500 -8.986 -0.660 1.00 0.00 H new ATOM 733 N GLU A 49 -8.642 -8.906 -4.203 1.00 0.00 N ATOM 734 CA GLU A 49 -9.348 -10.184 -4.486 1.00 0.00 C ATOM 735 C GLU A 49 -9.584 -10.303 -5.992 1.00 0.00 C ATOM 736 O GLU A 49 -9.497 -11.367 -6.565 1.00 0.00 O ATOM 737 CB GLU A 49 -10.689 -10.199 -3.744 1.00 0.00 C ATOM 738 CG GLU A 49 -11.433 -11.498 -4.037 1.00 0.00 C ATOM 739 CD GLU A 49 -12.798 -11.473 -3.349 1.00 0.00 C ATOM 740 OE1 GLU A 49 -13.108 -10.469 -2.728 1.00 0.00 O ATOM 741 OE2 GLU A 49 -13.512 -12.457 -3.454 1.00 0.00 O ATOM 0 H GLU A 49 -9.192 -8.205 -3.706 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.743 -11.025 -4.147 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.522 -10.100 -2.671 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.294 -9.346 -4.052 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.559 -11.622 -5.113 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.852 -12.350 -3.683 1.00 0.00 H new ATOM 748 N ASP A 50 -9.888 -9.212 -6.634 1.00 0.00 N ATOM 749 CA ASP A 50 -10.138 -9.253 -8.100 1.00 0.00 C ATOM 750 C ASP A 50 -8.871 -9.673 -8.851 1.00 0.00 C ATOM 751 O ASP A 50 -8.923 -10.433 -9.798 1.00 0.00 O ATOM 752 CB ASP A 50 -10.558 -7.862 -8.568 1.00 0.00 C ATOM 753 CG ASP A 50 -11.013 -7.927 -10.028 1.00 0.00 C ATOM 754 OD1 ASP A 50 -11.085 -9.025 -10.557 1.00 0.00 O ATOM 755 OD2 ASP A 50 -11.283 -6.879 -10.591 1.00 0.00 O ATOM 0 H ASP A 50 -9.974 -8.290 -6.205 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.925 -9.979 -8.306 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.366 -7.485 -7.941 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.725 -7.166 -8.467 1.00 0.00 H new ATOM 760 N ARG A 51 -7.738 -9.164 -8.454 1.00 0.00 N ATOM 761 CA ARG A 51 -6.472 -9.510 -9.165 1.00 0.00 C ATOM 762 C ARG A 51 -5.843 -10.790 -8.600 1.00 0.00 C ATOM 763 O ARG A 51 -5.554 -11.721 -9.326 1.00 0.00 O ATOM 764 CB ARG A 51 -5.483 -8.352 -9.018 1.00 0.00 C ATOM 765 CG ARG A 51 -4.236 -8.636 -9.857 1.00 0.00 C ATOM 766 CD ARG A 51 -3.245 -7.480 -9.711 1.00 0.00 C ATOM 767 NE ARG A 51 -2.082 -7.706 -10.613 1.00 0.00 N ATOM 768 CZ ARG A 51 -1.394 -6.692 -11.063 1.00 0.00 C ATOM 769 NH1 ARG A 51 -0.376 -6.895 -11.855 1.00 0.00 N ATOM 770 NH2 ARG A 51 -1.722 -5.475 -10.724 1.00 0.00 N ATOM 0 H ARG A 51 -7.632 -8.523 -7.668 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.705 -9.682 -10.216 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.947 -7.420 -9.341 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.208 -8.225 -7.971 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.773 -9.568 -9.534 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.511 -8.763 -10.904 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.732 -6.536 -9.957 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.908 -7.404 -8.677 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.822 -8.656 -10.880 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.119 -7.845 -12.122 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.162 -6.103 -12.207 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.518 -5.315 -10.106 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.183 -4.684 -11.077 1.00 0.00 H new ATOM 784 N PHE A 52 -5.594 -10.834 -7.319 1.00 0.00 N ATOM 785 CA PHE A 52 -4.946 -12.038 -6.724 1.00 0.00 C ATOM 786 C PHE A 52 -5.958 -13.169 -6.510 1.00 0.00 C ATOM 787 O PHE A 52 -5.590 -14.323 -6.418 1.00 0.00 O ATOM 788 CB PHE A 52 -4.323 -11.655 -5.382 1.00 0.00 C ATOM 789 CG PHE A 52 -3.142 -10.744 -5.616 1.00 0.00 C ATOM 790 CD1 PHE A 52 -3.305 -9.355 -5.549 1.00 0.00 C ATOM 791 CD2 PHE A 52 -1.884 -11.288 -5.899 1.00 0.00 C ATOM 792 CE1 PHE A 52 -2.210 -8.511 -5.767 1.00 0.00 C ATOM 793 CE2 PHE A 52 -0.789 -10.444 -6.116 1.00 0.00 C ATOM 794 CZ PHE A 52 -0.952 -9.055 -6.050 1.00 0.00 C ATOM 0 H PHE A 52 -5.811 -10.088 -6.659 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.180 -12.395 -7.413 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.062 -11.156 -4.755 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.005 -12.550 -4.848 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.275 -8.935 -5.329 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.758 -12.359 -5.950 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.336 -7.440 -5.717 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.182 -10.864 -6.334 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.107 -8.403 -6.217 1.00 0.00 H new ATOM 804 N GLY A 53 -7.222 -12.864 -6.420 1.00 0.00 N ATOM 805 CA GLY A 53 -8.220 -13.952 -6.199 1.00 0.00 C ATOM 806 C GLY A 53 -8.199 -14.355 -4.724 1.00 0.00 C ATOM 807 O GLY A 53 -8.533 -15.467 -4.367 1.00 0.00 O ATOM 0 H GLY A 53 -7.606 -11.922 -6.489 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.216 -13.612 -6.482 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.986 -14.811 -6.827 1.00 0.00 H new ATOM 811 N ILE A 54 -7.802 -13.454 -3.866 1.00 0.00 N ATOM 812 CA ILE A 54 -7.747 -13.772 -2.412 1.00 0.00 C ATOM 813 C ILE A 54 -8.903 -13.074 -1.695 1.00 0.00 C ATOM 814 O ILE A 54 -9.296 -11.981 -2.048 1.00 0.00 O ATOM 815 CB ILE A 54 -6.420 -13.276 -1.842 1.00 0.00 C ATOM 816 CG1 ILE A 54 -5.267 -13.915 -2.617 1.00 0.00 C ATOM 817 CG2 ILE A 54 -6.321 -13.665 -0.367 1.00 0.00 C ATOM 818 CD1 ILE A 54 -3.966 -13.190 -2.279 1.00 0.00 C ATOM 0 H ILE A 54 -7.512 -12.507 -4.112 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.829 -14.849 -2.267 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.365 -12.191 -1.934 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.184 -14.972 -2.362 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.459 -13.860 -3.688 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.374 -13.311 0.040 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.145 -13.212 0.185 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.374 -14.750 -0.272 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.143 -13.644 -2.830 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.052 -12.139 -2.556 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.773 -13.269 -1.209 1.00 0.00 H new ATOM 830 N ALA A 55 -9.453 -13.700 -0.691 1.00 0.00 N ATOM 831 CA ALA A 55 -10.587 -13.076 0.044 1.00 0.00 C ATOM 832 C ALA A 55 -10.128 -11.758 0.669 1.00 0.00 C ATOM 833 O ALA A 55 -8.966 -11.573 0.971 1.00 0.00 O ATOM 834 CB ALA A 55 -11.064 -14.024 1.145 1.00 0.00 C ATOM 0 H ALA A 55 -9.165 -14.617 -0.349 1.00 0.00 H new ATOM 0 HA ALA A 55 -11.406 -12.883 -0.649 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.894 -13.568 1.684 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.393 -14.963 0.699 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -10.245 -14.218 1.838 1.00 0.00 H new ATOM 840 N ALA A 56 -11.033 -10.838 0.857 1.00 0.00 N ATOM 841 CA ALA A 56 -10.656 -9.527 1.452 1.00 0.00 C ATOM 842 C ALA A 56 -9.992 -9.750 2.811 1.00 0.00 C ATOM 843 O ALA A 56 -9.173 -8.965 3.247 1.00 0.00 O ATOM 844 CB ALA A 56 -11.912 -8.674 1.636 1.00 0.00 C ATOM 0 H ALA A 56 -12.021 -10.939 0.623 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.959 -9.016 0.788 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.639 -7.713 2.072 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.387 -8.512 0.668 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -12.607 -9.188 2.299 1.00 0.00 H new ATOM 850 N ASP A 57 -10.339 -10.811 3.486 1.00 0.00 N ATOM 851 CA ASP A 57 -9.729 -11.081 4.820 1.00 0.00 C ATOM 852 C ASP A 57 -9.935 -9.865 5.725 1.00 0.00 C ATOM 853 O ASP A 57 -9.024 -9.411 6.390 1.00 0.00 O ATOM 854 CB ASP A 57 -8.234 -11.355 4.656 1.00 0.00 C ATOM 855 CG ASP A 57 -8.034 -12.639 3.849 1.00 0.00 C ATOM 856 OD1 ASP A 57 -8.998 -13.370 3.690 1.00 0.00 O ATOM 857 OD2 ASP A 57 -6.922 -12.870 3.406 1.00 0.00 O ATOM 0 H ASP A 57 -11.019 -11.503 3.172 1.00 0.00 H new ATOM 0 HA ASP A 57 -10.204 -11.953 5.269 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.754 -10.517 4.151 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.762 -11.451 5.634 1.00 0.00 H new ATOM 862 N ASP A 58 -11.126 -9.334 5.752 1.00 0.00 N ATOM 863 CA ASP A 58 -11.398 -8.146 6.609 1.00 0.00 C ATOM 864 C ASP A 58 -11.817 -8.606 8.007 1.00 0.00 C ATOM 865 O ASP A 58 -12.318 -7.833 8.800 1.00 0.00 O ATOM 866 CB ASP A 58 -12.520 -7.312 5.984 1.00 0.00 C ATOM 867 CG ASP A 58 -13.817 -8.125 5.956 1.00 0.00 C ATOM 868 OD1 ASP A 58 -14.745 -7.698 5.289 1.00 0.00 O ATOM 869 OD2 ASP A 58 -13.861 -9.162 6.597 1.00 0.00 O ATOM 0 H ASP A 58 -11.925 -9.673 5.216 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.495 -7.540 6.685 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.667 -6.396 6.556 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.244 -7.015 4.972 1.00 0.00 H new ATOM 874 N VAL A 59 -11.623 -9.859 8.314 1.00 0.00 N ATOM 875 CA VAL A 59 -12.016 -10.364 9.658 1.00 0.00 C ATOM 876 C VAL A 59 -11.370 -9.499 10.740 1.00 0.00 C ATOM 877 O VAL A 59 -11.996 -9.148 11.721 1.00 0.00 O ATOM 878 CB VAL A 59 -11.548 -11.809 9.816 1.00 0.00 C ATOM 879 CG1 VAL A 59 -11.715 -12.246 11.272 1.00 0.00 C ATOM 880 CG2 VAL A 59 -12.384 -12.717 8.911 1.00 0.00 C ATOM 0 H VAL A 59 -11.210 -10.554 7.692 1.00 0.00 H new ATOM 0 HA VAL A 59 -13.100 -10.319 9.758 1.00 0.00 H new ATOM 0 HB VAL A 59 -10.497 -11.882 9.535 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -11.381 -13.277 11.383 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -11.119 -11.600 11.916 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -12.765 -12.172 11.556 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -12.051 -13.749 9.023 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -13.435 -12.643 9.192 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -12.263 -12.407 7.873 1.00 0.00 H new ATOM 890 N GLU A 60 -10.124 -9.152 10.567 1.00 0.00 N ATOM 891 CA GLU A 60 -9.431 -8.305 11.581 1.00 0.00 C ATOM 892 C GLU A 60 -8.923 -7.021 10.922 1.00 0.00 C ATOM 893 O GLU A 60 -8.371 -7.044 9.840 1.00 0.00 O ATOM 894 CB GLU A 60 -8.249 -9.076 12.169 1.00 0.00 C ATOM 895 CG GLU A 60 -7.615 -8.257 13.286 1.00 0.00 C ATOM 896 CD GLU A 60 -6.387 -8.991 13.829 1.00 0.00 C ATOM 897 OE1 GLU A 60 -5.778 -8.482 14.754 1.00 0.00 O ATOM 898 OE2 GLU A 60 -6.078 -10.052 13.309 1.00 0.00 O ATOM 0 H GLU A 60 -9.554 -9.419 9.765 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.132 -8.050 12.376 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.584 -10.039 12.555 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.513 -9.283 11.392 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.328 -7.274 12.912 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.337 -8.095 14.086 1.00 0.00 H new ATOM 905 N LEU A 61 -9.102 -5.901 11.569 1.00 0.00 N ATOM 906 CA LEU A 61 -8.627 -4.616 10.988 1.00 0.00 C ATOM 907 C LEU A 61 -7.360 -4.174 11.726 1.00 0.00 C ATOM 908 O LEU A 61 -7.255 -4.324 12.928 1.00 0.00 O ATOM 909 CB LEU A 61 -9.719 -3.555 11.150 1.00 0.00 C ATOM 910 CG LEU A 61 -11.047 -4.115 10.646 1.00 0.00 C ATOM 911 CD1 LEU A 61 -12.088 -2.995 10.589 1.00 0.00 C ATOM 912 CD2 LEU A 61 -10.856 -4.709 9.249 1.00 0.00 C ATOM 0 H LEU A 61 -9.558 -5.822 12.478 1.00 0.00 H new ATOM 0 HA LEU A 61 -8.405 -4.744 9.929 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -9.808 -3.265 12.197 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -9.455 -2.657 10.592 1.00 0.00 H new ATOM 0 HG LEU A 61 -11.392 -4.894 11.326 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -13.035 -3.397 10.229 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -12.227 -2.576 11.586 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -11.745 -2.213 9.912 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -11.805 -5.108 8.891 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -10.509 -3.932 8.568 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -10.118 -5.510 9.292 1.00 0.00 H new ATOM 924 N SER A 62 -6.393 -3.642 11.022 1.00 0.00 N ATOM 925 CA SER A 62 -5.135 -3.206 11.695 1.00 0.00 C ATOM 926 C SER A 62 -4.779 -1.778 11.277 1.00 0.00 C ATOM 927 O SER A 62 -3.942 -1.562 10.424 1.00 0.00 O ATOM 928 CB SER A 62 -3.997 -4.144 11.301 1.00 0.00 C ATOM 929 OG SER A 62 -2.783 -3.408 11.231 1.00 0.00 O ATOM 0 H SER A 62 -6.421 -3.492 10.014 1.00 0.00 H new ATOM 0 HA SER A 62 -5.283 -3.235 12.774 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.906 -4.949 12.030 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.210 -4.608 10.338 1.00 0.00 H new ATOM 0 HG SER A 62 -2.073 -3.981 10.872 1.00 0.00 H new ATOM 935 N PRO A 63 -5.408 -0.808 11.883 1.00 0.00 N ATOM 936 CA PRO A 63 -5.150 0.629 11.580 1.00 0.00 C ATOM 937 C PRO A 63 -3.680 0.999 11.803 1.00 0.00 C ATOM 938 O PRO A 63 -3.161 1.923 11.209 1.00 0.00 O ATOM 939 CB PRO A 63 -6.046 1.390 12.562 1.00 0.00 C ATOM 940 CG PRO A 63 -7.062 0.406 13.043 1.00 0.00 C ATOM 941 CD PRO A 63 -6.431 -0.978 12.921 1.00 0.00 C ATOM 0 HA PRO A 63 -5.362 0.866 10.538 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.464 1.787 13.394 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -6.526 2.239 12.075 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -7.342 0.613 14.076 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -7.973 0.469 12.448 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.993 -1.302 13.865 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -7.168 -1.730 12.637 1.00 0.00 H new ATOM 949 N GLU A 64 -3.013 0.279 12.662 1.00 0.00 N ATOM 950 CA GLU A 64 -1.578 0.572 12.942 1.00 0.00 C ATOM 951 C GLU A 64 -0.724 0.258 11.710 1.00 0.00 C ATOM 952 O GLU A 64 0.364 0.775 11.550 1.00 0.00 O ATOM 953 CB GLU A 64 -1.107 -0.286 14.115 1.00 0.00 C ATOM 954 CG GLU A 64 -1.867 0.111 15.377 1.00 0.00 C ATOM 955 CD GLU A 64 -1.344 -0.699 16.565 1.00 0.00 C ATOM 956 OE1 GLU A 64 -0.571 -1.615 16.339 1.00 0.00 O ATOM 957 OE2 GLU A 64 -1.727 -0.389 17.682 1.00 0.00 O ATOM 0 H GLU A 64 -3.402 -0.505 13.186 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.472 1.629 13.188 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.271 -1.341 13.896 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.036 -0.155 14.267 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.744 1.177 15.568 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.934 -0.068 15.243 1.00 0.00 H new ATOM 964 N HIS A 65 -1.198 -0.601 10.848 1.00 0.00 N ATOM 965 CA HIS A 65 -0.400 -0.965 9.640 1.00 0.00 C ATOM 966 C HIS A 65 -0.286 0.231 8.689 1.00 0.00 C ATOM 967 O HIS A 65 0.655 0.336 7.930 1.00 0.00 O ATOM 968 CB HIS A 65 -1.087 -2.125 8.913 1.00 0.00 C ATOM 969 CG HIS A 65 -0.252 -3.369 9.043 1.00 0.00 C ATOM 970 ND1 HIS A 65 -0.004 -4.202 10.107 1.00 0.00 N flip ATOM 971 CD2 HIS A 65 0.457 -3.899 7.973 1.00 0.00 C flip ATOM 972 CE1 HIS A 65 0.843 -5.229 9.704 1.00 0.00 C flip ATOM 973 NE2 HIS A 65 1.091 -5.002 8.413 1.00 0.00 N flip ATOM 0 H HIS A 65 -2.102 -1.066 10.927 1.00 0.00 H new ATOM 0 HA HIS A 65 0.601 -1.259 9.955 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.078 -2.295 9.334 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -1.226 -1.877 7.861 1.00 0.00 H new ATOM 0 HD2 HIS A 65 0.493 -3.499 6.970 1.00 0.00 H new ATOM 0 HE1 HIS A 65 1.221 -6.040 10.309 1.00 0.00 H new ATOM 0 HE2 HIS A 65 1.687 -5.591 7.831 1.00 0.00 H new ATOM 982 N PHE A 66 -1.228 1.131 8.715 1.00 0.00 N ATOM 983 CA PHE A 66 -1.147 2.302 7.794 1.00 0.00 C ATOM 984 C PHE A 66 -0.190 3.352 8.360 1.00 0.00 C ATOM 985 O PHE A 66 0.075 4.359 7.736 1.00 0.00 O ATOM 986 CB PHE A 66 -2.536 2.916 7.614 1.00 0.00 C ATOM 987 CG PHE A 66 -3.407 1.954 6.842 1.00 0.00 C ATOM 988 CD1 PHE A 66 -3.146 1.706 5.490 1.00 0.00 C ATOM 989 CD2 PHE A 66 -4.475 1.313 7.479 1.00 0.00 C ATOM 990 CE1 PHE A 66 -3.952 0.813 4.774 1.00 0.00 C ATOM 991 CE2 PHE A 66 -5.282 0.421 6.761 1.00 0.00 C ATOM 992 CZ PHE A 66 -5.021 0.171 5.410 1.00 0.00 C ATOM 0 H PHE A 66 -2.044 1.109 9.327 1.00 0.00 H new ATOM 0 HA PHE A 66 -0.773 1.965 6.827 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.981 3.129 8.586 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.461 3.865 7.083 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.323 2.203 4.999 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.677 1.505 8.522 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.749 0.619 3.731 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.107 -0.074 7.251 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.644 -0.517 4.858 1.00 0.00 H new ATOM 1002 N ARG A 67 0.335 3.134 9.534 1.00 0.00 N ATOM 1003 CA ARG A 67 1.275 4.134 10.116 1.00 0.00 C ATOM 1004 C ARG A 67 2.491 4.296 9.199 1.00 0.00 C ATOM 1005 O ARG A 67 3.022 5.379 9.047 1.00 0.00 O ATOM 1006 CB ARG A 67 1.734 3.663 11.499 1.00 0.00 C ATOM 1007 CG ARG A 67 0.531 3.556 12.439 1.00 0.00 C ATOM 1008 CD ARG A 67 0.091 4.952 12.893 1.00 0.00 C ATOM 1009 NE ARG A 67 -0.873 4.821 14.022 1.00 0.00 N ATOM 1010 CZ ARG A 67 -2.136 4.606 13.779 1.00 0.00 C ATOM 1011 NH1 ARG A 67 -2.981 4.489 14.768 1.00 0.00 N ATOM 1012 NH2 ARG A 67 -2.557 4.507 12.548 1.00 0.00 N ATOM 0 H ARG A 67 0.156 2.313 10.112 1.00 0.00 H new ATOM 0 HA ARG A 67 0.766 5.093 10.211 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.230 2.696 11.417 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.464 4.362 11.907 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -0.293 3.054 11.932 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.790 2.948 13.306 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.957 5.535 13.205 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.372 5.487 12.064 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.545 4.900 14.985 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.653 4.566 15.731 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -3.969 4.321 14.578 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -1.898 4.598 11.775 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.545 4.339 12.359 1.00 0.00 H new ATOM 1026 N SER A 68 2.939 3.234 8.583 1.00 0.00 N ATOM 1027 CA SER A 68 4.120 3.348 7.679 1.00 0.00 C ATOM 1028 C SER A 68 3.903 2.485 6.433 1.00 0.00 C ATOM 1029 O SER A 68 3.224 1.478 6.472 1.00 0.00 O ATOM 1030 CB SER A 68 5.372 2.869 8.416 1.00 0.00 C ATOM 1031 OG SER A 68 5.267 1.474 8.664 1.00 0.00 O ATOM 0 H SER A 68 2.541 2.298 8.666 1.00 0.00 H new ATOM 0 HA SER A 68 4.246 4.389 7.380 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.261 3.078 7.820 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.484 3.410 9.356 1.00 0.00 H new ATOM 0 HG SER A 68 4.554 1.310 9.316 1.00 0.00 H new ATOM 1037 N ILE A 69 4.481 2.871 5.326 1.00 0.00 N ATOM 1038 CA ILE A 69 4.319 2.081 4.080 1.00 0.00 C ATOM 1039 C ILE A 69 4.972 0.705 4.249 1.00 0.00 C ATOM 1040 O ILE A 69 4.488 -0.289 3.746 1.00 0.00 O ATOM 1041 CB ILE A 69 4.993 2.828 2.931 1.00 0.00 C ATOM 1042 CG1 ILE A 69 4.362 4.207 2.778 1.00 0.00 C ATOM 1043 CG2 ILE A 69 4.796 2.056 1.639 1.00 0.00 C ATOM 1044 CD1 ILE A 69 5.136 5.013 1.735 1.00 0.00 C ATOM 0 H ILE A 69 5.061 3.705 5.236 1.00 0.00 H new ATOM 0 HA ILE A 69 3.259 1.947 3.866 1.00 0.00 H new ATOM 0 HB ILE A 69 6.057 2.928 3.146 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.319 4.109 2.476 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.369 4.729 3.735 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.277 2.590 0.819 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.239 1.065 1.736 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.730 1.958 1.432 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.683 5.999 1.627 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.172 5.123 2.055 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.106 4.493 0.777 1.00 0.00 H new ATOM 1056 N ARG A 70 6.076 0.645 4.943 1.00 0.00 N ATOM 1057 CA ARG A 70 6.771 -0.660 5.133 1.00 0.00 C ATOM 1058 C ARG A 70 5.854 -1.646 5.860 1.00 0.00 C ATOM 1059 O ARG A 70 5.838 -2.824 5.563 1.00 0.00 O ATOM 1060 CB ARG A 70 8.039 -0.445 5.961 1.00 0.00 C ATOM 1061 CG ARG A 70 8.805 -1.765 6.074 1.00 0.00 C ATOM 1062 CD ARG A 70 10.102 -1.538 6.850 1.00 0.00 C ATOM 1063 NE ARG A 70 9.785 -1.261 8.279 1.00 0.00 N ATOM 1064 CZ ARG A 70 10.743 -0.971 9.115 1.00 0.00 C ATOM 1065 NH1 ARG A 70 10.465 -0.729 10.368 1.00 0.00 N ATOM 1066 NH2 ARG A 70 11.979 -0.922 8.701 1.00 0.00 N ATOM 0 H ARG A 70 6.527 1.445 5.387 1.00 0.00 H new ATOM 0 HA ARG A 70 7.031 -1.068 4.156 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.667 0.313 5.493 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.780 -0.077 6.954 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.192 -2.511 6.580 1.00 0.00 H new ATOM 0 HG3 ARG A 70 9.027 -2.155 5.081 1.00 0.00 H new ATOM 0 HD2 ARG A 70 10.743 -2.416 6.772 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.654 -0.702 6.420 1.00 0.00 H new ATOM 0 HE ARG A 70 8.819 -1.298 8.604 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.499 -0.767 10.693 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.214 -0.502 11.022 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.197 -1.111 7.723 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.728 -0.695 9.356 1.00 0.00 H new ATOM 1080 N SER A 71 5.095 -1.183 6.815 1.00 0.00 N ATOM 1081 CA SER A 71 4.194 -2.106 7.554 1.00 0.00 C ATOM 1082 C SER A 71 3.246 -2.793 6.569 1.00 0.00 C ATOM 1083 O SER A 71 2.972 -3.973 6.676 1.00 0.00 O ATOM 1084 CB SER A 71 3.385 -1.308 8.573 1.00 0.00 C ATOM 1085 OG SER A 71 4.272 -0.587 9.416 1.00 0.00 O ATOM 0 H SER A 71 5.061 -0.208 7.113 1.00 0.00 H new ATOM 0 HA SER A 71 4.786 -2.862 8.069 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.712 -0.620 8.062 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.765 -1.979 9.167 1.00 0.00 H new ATOM 0 HG SER A 71 4.934 -0.116 8.868 1.00 0.00 H new ATOM 1091 N ILE A 72 2.745 -2.068 5.606 1.00 0.00 N ATOM 1092 CA ILE A 72 1.824 -2.678 4.615 1.00 0.00 C ATOM 1093 C ILE A 72 2.586 -3.721 3.797 1.00 0.00 C ATOM 1094 O ILE A 72 2.066 -4.771 3.471 1.00 0.00 O ATOM 1095 CB ILE A 72 1.300 -1.584 3.685 1.00 0.00 C ATOM 1096 CG1 ILE A 72 0.751 -0.416 4.507 1.00 0.00 C ATOM 1097 CG2 ILE A 72 0.189 -2.152 2.812 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -0.149 -0.954 5.611 1.00 0.00 C ATOM 0 H ILE A 72 2.937 -1.076 5.466 1.00 0.00 H new ATOM 0 HA ILE A 72 0.989 -3.156 5.127 1.00 0.00 H new ATOM 0 HB ILE A 72 2.117 -1.227 3.058 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.572 0.157 4.939 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.191 0.264 3.865 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.186 -1.373 2.148 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.579 -2.978 2.218 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.623 -2.512 3.444 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.541 -0.123 6.198 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.977 -1.508 5.168 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.426 -1.616 6.259 1.00 0.00 H new ATOM 1110 N ASP A 73 3.815 -3.440 3.460 1.00 0.00 N ATOM 1111 CA ASP A 73 4.611 -4.412 2.662 1.00 0.00 C ATOM 1112 C ASP A 73 4.676 -5.750 3.400 1.00 0.00 C ATOM 1113 O ASP A 73 4.615 -6.804 2.799 1.00 0.00 O ATOM 1114 CB ASP A 73 6.028 -3.871 2.465 1.00 0.00 C ATOM 1115 CG ASP A 73 6.773 -4.743 1.453 1.00 0.00 C ATOM 1116 OD1 ASP A 73 7.953 -4.509 1.253 1.00 0.00 O ATOM 1117 OD2 ASP A 73 6.150 -5.632 0.895 1.00 0.00 O ATOM 0 H ASP A 73 4.302 -2.578 3.704 1.00 0.00 H new ATOM 0 HA ASP A 73 4.137 -4.556 1.691 1.00 0.00 H new ATOM 0 HB2 ASP A 73 5.989 -2.840 2.113 1.00 0.00 H new ATOM 0 HB3 ASP A 73 6.561 -3.863 3.416 1.00 0.00 H new ATOM 1122 N ALA A 74 4.798 -5.719 4.700 1.00 0.00 N ATOM 1123 CA ALA A 74 4.865 -6.994 5.467 1.00 0.00 C ATOM 1124 C ALA A 74 3.556 -7.762 5.286 1.00 0.00 C ATOM 1125 O ALA A 74 3.549 -8.963 5.111 1.00 0.00 O ATOM 1126 CB ALA A 74 5.079 -6.687 6.950 1.00 0.00 C ATOM 0 H ALA A 74 4.854 -4.869 5.261 1.00 0.00 H new ATOM 0 HA ALA A 74 5.695 -7.598 5.101 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.128 -7.620 7.511 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.012 -6.138 7.077 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.250 -6.084 7.320 1.00 0.00 H new ATOM 1132 N PHE A 75 2.449 -7.075 5.319 1.00 0.00 N ATOM 1133 CA PHE A 75 1.140 -7.765 5.143 1.00 0.00 C ATOM 1134 C PHE A 75 1.071 -8.376 3.742 1.00 0.00 C ATOM 1135 O PHE A 75 0.689 -9.516 3.569 1.00 0.00 O ATOM 1136 CB PHE A 75 0.006 -6.758 5.316 1.00 0.00 C ATOM 1137 CG PHE A 75 -1.322 -7.474 5.246 1.00 0.00 C ATOM 1138 CD1 PHE A 75 -1.857 -8.070 6.395 1.00 0.00 C ATOM 1139 CD2 PHE A 75 -2.017 -7.543 4.033 1.00 0.00 C ATOM 1140 CE1 PHE A 75 -3.089 -8.734 6.329 1.00 0.00 C ATOM 1141 CE2 PHE A 75 -3.248 -8.207 3.968 1.00 0.00 C ATOM 1142 CZ PHE A 75 -3.783 -8.802 5.116 1.00 0.00 C ATOM 0 H PHE A 75 2.393 -6.066 5.460 1.00 0.00 H new ATOM 0 HA PHE A 75 1.041 -8.554 5.889 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.104 -6.245 6.273 1.00 0.00 H new ATOM 0 HB3 PHE A 75 0.061 -5.996 4.539 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -1.320 -8.018 7.331 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.604 -7.084 3.147 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -3.503 -9.193 7.214 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -3.784 -8.260 3.032 1.00 0.00 H new ATOM 0 HZ PHE A 75 -4.732 -9.314 5.066 1.00 0.00 H new ATOM 1152 N VAL A 76 1.437 -7.624 2.741 1.00 0.00 N ATOM 1153 CA VAL A 76 1.395 -8.150 1.353 1.00 0.00 C ATOM 1154 C VAL A 76 2.393 -9.300 1.208 1.00 0.00 C ATOM 1155 O VAL A 76 2.109 -10.306 0.589 1.00 0.00 O ATOM 1156 CB VAL A 76 1.763 -7.027 0.387 1.00 0.00 C ATOM 1157 CG1 VAL A 76 1.947 -7.604 -1.011 1.00 0.00 C ATOM 1158 CG2 VAL A 76 0.640 -5.986 0.366 1.00 0.00 C ATOM 0 H VAL A 76 1.765 -6.662 2.828 1.00 0.00 H new ATOM 0 HA VAL A 76 0.394 -8.517 1.128 1.00 0.00 H new ATOM 0 HB VAL A 76 2.690 -6.555 0.711 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.210 -6.804 -1.703 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.744 -8.347 -0.996 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.019 -8.074 -1.336 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.901 -5.183 -0.323 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.287 -6.457 0.040 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.506 -5.576 1.367 1.00 0.00 H new ATOM 1168 N VAL A 77 3.560 -9.160 1.774 1.00 0.00 N ATOM 1169 CA VAL A 77 4.575 -10.238 1.670 1.00 0.00 C ATOM 1170 C VAL A 77 4.039 -11.513 2.322 1.00 0.00 C ATOM 1171 O VAL A 77 4.222 -12.605 1.821 1.00 0.00 O ATOM 1172 CB VAL A 77 5.845 -9.791 2.389 1.00 0.00 C ATOM 1173 CG1 VAL A 77 6.806 -10.968 2.496 1.00 0.00 C ATOM 1174 CG2 VAL A 77 6.509 -8.662 1.597 1.00 0.00 C ATOM 0 H VAL A 77 3.853 -8.340 2.306 1.00 0.00 H new ATOM 0 HA VAL A 77 4.794 -10.439 0.621 1.00 0.00 H new ATOM 0 HB VAL A 77 5.592 -9.434 3.387 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.714 -10.651 3.009 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.334 -11.773 3.058 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.059 -11.323 1.497 1.00 0.00 H new ATOM 0 HG21 VAL A 77 7.416 -8.342 2.110 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.763 -9.018 0.599 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.821 -7.820 1.517 1.00 0.00 H new ATOM 1184 N GLY A 78 3.381 -11.384 3.440 1.00 0.00 N ATOM 1185 CA GLY A 78 2.835 -12.586 4.130 1.00 0.00 C ATOM 1186 C GLY A 78 1.881 -13.337 3.199 1.00 0.00 C ATOM 1187 O GLY A 78 1.804 -14.550 3.225 1.00 0.00 O ATOM 0 H GLY A 78 3.197 -10.496 3.907 1.00 0.00 H new ATOM 0 HA2 GLY A 78 3.650 -13.242 4.435 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.310 -12.287 5.038 1.00 0.00 H new ATOM 1191 N ALA A 79 1.146 -12.632 2.382 1.00 0.00 N ATOM 1192 CA ALA A 79 0.195 -13.320 1.464 1.00 0.00 C ATOM 1193 C ALA A 79 0.865 -13.575 0.114 1.00 0.00 C ATOM 1194 O ALA A 79 0.841 -14.674 -0.405 1.00 0.00 O ATOM 1195 CB ALA A 79 -1.041 -12.440 1.260 1.00 0.00 C ATOM 0 H ALA A 79 1.163 -11.615 2.311 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.100 -14.273 1.903 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.738 -12.942 0.589 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.525 -12.264 2.221 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.741 -11.487 0.825 1.00 0.00 H new ATOM 1201 N THR A 80 1.464 -12.570 -0.460 1.00 0.00 N ATOM 1202 CA THR A 80 2.137 -12.756 -1.775 1.00 0.00 C ATOM 1203 C THR A 80 3.390 -11.881 -1.837 1.00 0.00 C ATOM 1204 O THR A 80 3.476 -10.859 -1.187 1.00 0.00 O ATOM 1205 CB THR A 80 1.173 -12.368 -2.901 1.00 0.00 C ATOM 1206 OG1 THR A 80 1.695 -12.811 -4.144 1.00 0.00 O ATOM 1207 CG2 THR A 80 0.991 -10.848 -2.930 1.00 0.00 C ATOM 0 H THR A 80 1.517 -11.627 -0.075 1.00 0.00 H new ATOM 0 HA THR A 80 2.425 -13.801 -1.894 1.00 0.00 H new ATOM 0 HB THR A 80 0.206 -12.839 -2.725 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.078 -12.565 -4.864 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.305 -10.579 -3.733 1.00 0.00 H new ATOM 0 HG22 THR A 80 0.584 -10.512 -1.976 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.955 -10.369 -3.101 1.00 0.00 H new ATOM 1215 N THR A 81 4.363 -12.272 -2.615 1.00 0.00 N ATOM 1216 CA THR A 81 5.612 -11.466 -2.719 1.00 0.00 C ATOM 1217 C THR A 81 5.992 -11.296 -4.196 1.00 0.00 C ATOM 1218 O THR A 81 6.726 -12.093 -4.746 1.00 0.00 O ATOM 1219 CB THR A 81 6.738 -12.190 -1.977 1.00 0.00 C ATOM 1220 OG1 THR A 81 7.993 -11.701 -2.431 1.00 0.00 O ATOM 1221 CG2 THR A 81 6.646 -13.693 -2.244 1.00 0.00 C ATOM 0 H THR A 81 4.346 -13.118 -3.185 1.00 0.00 H new ATOM 0 HA THR A 81 5.454 -10.483 -2.275 1.00 0.00 H new ATOM 0 HB THR A 81 6.643 -12.009 -0.906 1.00 0.00 H new ATOM 0 HG1 THR A 81 7.861 -10.856 -2.909 1.00 0.00 H new ATOM 0 HG21 THR A 81 7.449 -14.206 -1.715 1.00 0.00 H new ATOM 0 HG22 THR A 81 5.684 -14.066 -1.894 1.00 0.00 H new ATOM 0 HG23 THR A 81 6.740 -13.879 -3.314 1.00 0.00 H new ATOM 1229 N PRO A 82 5.495 -10.266 -4.835 1.00 0.00 N ATOM 1230 CA PRO A 82 5.783 -9.994 -6.269 1.00 0.00 C ATOM 1231 C PRO A 82 7.120 -9.269 -6.472 1.00 0.00 C ATOM 1232 O PRO A 82 7.660 -8.680 -5.558 1.00 0.00 O ATOM 1233 CB PRO A 82 4.619 -9.103 -6.701 1.00 0.00 C ATOM 1234 CG PRO A 82 4.175 -8.393 -5.462 1.00 0.00 C ATOM 1235 CD PRO A 82 4.601 -9.247 -4.262 1.00 0.00 C ATOM 0 HA PRO A 82 5.871 -10.914 -6.847 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.931 -8.395 -7.468 1.00 0.00 H new ATOM 0 HB3 PRO A 82 3.808 -9.695 -7.125 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.625 -7.402 -5.406 1.00 0.00 H new ATOM 0 HG3 PRO A 82 3.094 -8.252 -5.468 1.00 0.00 H new ATOM 0 HD2 PRO A 82 5.113 -8.647 -3.510 1.00 0.00 H new ATOM 0 HD3 PRO A 82 3.740 -9.703 -3.774 1.00 0.00 H new ATOM 1243 N PRO A 83 7.642 -9.315 -7.669 1.00 0.00 N ATOM 1244 CA PRO A 83 8.936 -8.654 -8.015 1.00 0.00 C ATOM 1245 C PRO A 83 8.877 -7.137 -7.816 1.00 0.00 C ATOM 1246 O PRO A 83 7.832 -6.528 -7.933 1.00 0.00 O ATOM 1247 CB PRO A 83 9.153 -8.992 -9.495 1.00 0.00 C ATOM 1248 CG PRO A 83 7.823 -9.431 -10.015 1.00 0.00 C ATOM 1249 CD PRO A 83 7.055 -10.004 -8.827 1.00 0.00 C ATOM 0 HA PRO A 83 9.746 -9.002 -7.374 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.520 -8.125 -10.044 1.00 0.00 H new ATOM 0 HB3 PRO A 83 9.897 -9.780 -9.610 1.00 0.00 H new ATOM 0 HG2 PRO A 83 7.284 -8.593 -10.456 1.00 0.00 H new ATOM 0 HG3 PRO A 83 7.942 -10.181 -10.797 1.00 0.00 H new ATOM 0 HD2 PRO A 83 5.986 -9.809 -8.909 1.00 0.00 H new ATOM 0 HD3 PRO A 83 7.177 -11.085 -8.754 1.00 0.00 H new ATOM 1257 N VAL A 84 9.991 -6.525 -7.510 1.00 0.00 N ATOM 1258 CA VAL A 84 10.002 -5.049 -7.297 1.00 0.00 C ATOM 1259 C VAL A 84 11.094 -4.408 -8.156 1.00 0.00 C ATOM 1260 O VAL A 84 12.175 -4.942 -8.304 1.00 0.00 O ATOM 1261 CB VAL A 84 10.289 -4.754 -5.824 1.00 0.00 C ATOM 1262 CG1 VAL A 84 11.681 -5.276 -5.464 1.00 0.00 C ATOM 1263 CG2 VAL A 84 10.241 -3.244 -5.588 1.00 0.00 C ATOM 0 H VAL A 84 10.895 -6.985 -7.398 1.00 0.00 H new ATOM 0 HA VAL A 84 9.032 -4.639 -7.578 1.00 0.00 H new ATOM 0 HB VAL A 84 9.540 -5.245 -5.203 1.00 0.00 H new ATOM 0 HG11 VAL A 84 11.888 -5.067 -4.414 1.00 0.00 H new ATOM 0 HG12 VAL A 84 11.721 -6.352 -5.634 1.00 0.00 H new ATOM 0 HG13 VAL A 84 12.427 -4.782 -6.086 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.445 -3.033 -4.538 1.00 0.00 H new ATOM 0 HG22 VAL A 84 10.991 -2.755 -6.209 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.252 -2.866 -5.848 1.00 0.00 H new ATOM 1273 N GLU A 85 10.815 -3.261 -8.717 1.00 0.00 N ATOM 1274 CA GLU A 85 11.827 -2.568 -9.561 1.00 0.00 C ATOM 1275 C GLU A 85 12.129 -1.195 -8.955 1.00 0.00 C ATOM 1276 O GLU A 85 11.295 -0.599 -8.304 1.00 0.00 O ATOM 1277 CB GLU A 85 11.274 -2.392 -10.978 1.00 0.00 C ATOM 1278 CG GLU A 85 10.966 -3.763 -11.580 1.00 0.00 C ATOM 1279 CD GLU A 85 10.496 -3.591 -13.026 1.00 0.00 C ATOM 1280 OE1 GLU A 85 10.363 -4.594 -13.708 1.00 0.00 O ATOM 1281 OE2 GLU A 85 10.276 -2.460 -13.426 1.00 0.00 O ATOM 0 H GLU A 85 9.924 -2.773 -8.625 1.00 0.00 H new ATOM 0 HA GLU A 85 12.741 -3.160 -9.601 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.371 -1.782 -10.954 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.998 -1.865 -11.599 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.854 -4.394 -11.548 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.197 -4.265 -10.993 1.00 0.00 H new ATOM 1288 N ALA A 86 13.314 -0.690 -9.162 1.00 0.00 N ATOM 1289 CA ALA A 86 13.659 0.645 -8.594 1.00 0.00 C ATOM 1290 C ALA A 86 12.776 1.715 -9.237 1.00 0.00 C ATOM 1291 O ALA A 86 12.476 1.660 -10.414 1.00 0.00 O ATOM 1292 CB ALA A 86 15.130 0.956 -8.879 1.00 0.00 C ATOM 0 H ALA A 86 14.056 -1.141 -9.697 1.00 0.00 H new ATOM 0 HA ALA A 86 13.493 0.637 -7.517 1.00 0.00 H new ATOM 0 HB1 ALA A 86 15.383 1.932 -8.464 1.00 0.00 H new ATOM 0 HB2 ALA A 86 15.759 0.193 -8.420 1.00 0.00 H new ATOM 0 HB3 ALA A 86 15.298 0.965 -9.956 1.00 0.00 H new ATOM 1298 N LYS A 87 12.359 2.692 -8.478 1.00 0.00 N ATOM 1299 CA LYS A 87 11.497 3.763 -9.050 1.00 0.00 C ATOM 1300 C LYS A 87 12.236 4.448 -10.201 1.00 0.00 C ATOM 1301 O LYS A 87 11.645 4.829 -11.192 1.00 0.00 O ATOM 1302 CB LYS A 87 11.176 4.794 -7.967 1.00 0.00 C ATOM 1303 CG LYS A 87 10.341 4.136 -6.866 1.00 0.00 C ATOM 1304 CD LYS A 87 9.923 5.191 -5.840 1.00 0.00 C ATOM 1305 CE LYS A 87 9.196 4.513 -4.677 1.00 0.00 C ATOM 1306 NZ LYS A 87 10.187 3.815 -3.811 1.00 0.00 N ATOM 0 H LYS A 87 12.578 2.794 -7.487 1.00 0.00 H new ATOM 0 HA LYS A 87 10.570 3.325 -9.420 1.00 0.00 H new ATOM 0 HB2 LYS A 87 12.098 5.195 -7.547 1.00 0.00 H new ATOM 0 HB3 LYS A 87 10.631 5.633 -8.399 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.458 3.664 -7.298 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.917 3.349 -6.379 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.800 5.724 -5.473 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.273 5.931 -6.307 1.00 0.00 H new ATOM 0 HE2 LYS A 87 8.647 5.254 -4.096 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.464 3.801 -5.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 9.739 3.560 -2.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 10.519 2.953 -4.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.995 4.444 -3.631 1.00 0.00 H new ATOM 1320 N LEU A 88 13.527 4.606 -10.079 1.00 0.00 N ATOM 1321 CA LEU A 88 14.306 5.263 -11.166 1.00 0.00 C ATOM 1322 C LEU A 88 15.082 4.202 -11.949 1.00 0.00 C ATOM 1323 O LEU A 88 15.768 3.375 -11.381 1.00 0.00 O ATOM 1324 CB LEU A 88 15.287 6.266 -10.553 1.00 0.00 C ATOM 1325 CG LEU A 88 15.998 7.036 -11.669 1.00 0.00 C ATOM 1326 CD1 LEU A 88 15.000 7.945 -12.391 1.00 0.00 C ATOM 1327 CD2 LEU A 88 17.114 7.889 -11.063 1.00 0.00 C ATOM 0 H LEU A 88 14.075 4.308 -9.272 1.00 0.00 H new ATOM 0 HA LEU A 88 13.626 5.785 -11.839 1.00 0.00 H new ATOM 0 HB2 LEU A 88 14.755 6.959 -9.901 1.00 0.00 H new ATOM 0 HB3 LEU A 88 16.018 5.744 -9.935 1.00 0.00 H new ATOM 0 HG LEU A 88 16.420 6.328 -12.382 1.00 0.00 H new ATOM 0 HD11 LEU A 88 15.512 8.490 -13.184 1.00 0.00 H new ATOM 0 HD12 LEU A 88 14.203 7.340 -12.823 1.00 0.00 H new ATOM 0 HD13 LEU A 88 14.573 8.653 -11.681 1.00 0.00 H new ATOM 0 HD21 LEU A 88 17.623 8.439 -11.855 1.00 0.00 H new ATOM 0 HD22 LEU A 88 16.687 8.593 -10.349 1.00 0.00 H new ATOM 0 HD23 LEU A 88 17.829 7.244 -10.553 1.00 0.00 H new ATOM 1339 N GLN A 89 14.982 4.218 -13.250 1.00 0.00 N ATOM 1340 CA GLN A 89 15.714 3.209 -14.065 1.00 0.00 C ATOM 1341 C GLN A 89 17.222 3.409 -13.890 1.00 0.00 C ATOM 1342 O GLN A 89 17.716 4.438 -14.315 1.00 0.00 O ATOM 1343 CB GLN A 89 15.346 3.380 -15.540 1.00 0.00 C ATOM 1344 CG GLN A 89 13.857 3.082 -15.733 1.00 0.00 C ATOM 1345 CD GLN A 89 13.479 3.297 -17.199 1.00 0.00 C ATOM 1346 OE1 GLN A 89 14.213 3.917 -17.943 1.00 0.00 O ATOM 1347 NE2 GLN A 89 12.356 2.806 -17.650 1.00 0.00 N ATOM 1348 OXT GLN A 89 17.854 2.527 -13.333 1.00 0.00 O ATOM 0 H GLN A 89 14.425 4.886 -13.783 1.00 0.00 H new ATOM 0 HA GLN A 89 15.439 2.207 -13.735 1.00 0.00 H new ATOM 0 HB2 GLN A 89 15.570 4.396 -15.866 1.00 0.00 H new ATOM 0 HB3 GLN A 89 15.945 2.709 -16.155 1.00 0.00 H new ATOM 0 HG2 GLN A 89 13.639 2.056 -15.437 1.00 0.00 H new ATOM 0 HG3 GLN A 89 13.259 3.732 -15.093 1.00 0.00 H new ATOM 0 HE21 GLN A 89 11.740 2.286 -17.026 1.00 0.00 H new ATOM 0 HE22 GLN A 89 12.095 2.943 -18.627 1.00 0.00 H new TER 1357 GLN A 89 HETATM 1358 O8 7V9 A 101 -5.728 -3.577 8.348 1.00 0.00 O HETATM 1359 P 7V9 A 101 -12.697 3.875 7.375 1.00 0.00 P HETATM 1360 C4 7V9 A 101 -9.308 0.097 8.998 1.00 0.00 C HETATM 1361 C2 7V9 A 101 -10.157 2.422 9.355 1.00 0.00 C HETATM 1362 O1P 7V9 A 101 -13.493 2.928 8.188 1.00 0.00 O HETATM 1363 O2P 7V9 A 101 -12.711 5.319 7.705 1.00 0.00 O HETATM 1364 O3P 7V9 A 101 -11.167 3.372 7.370 1.00 0.00 O HETATM 1365 C1 7V9 A 101 -10.605 3.702 8.643 1.00 0.00 C HETATM 1366 CE1 7V9 A 101 -11.229 1.998 10.360 1.00 0.00 C HETATM 1367 CE2 7V9 A 101 -8.841 2.677 10.094 1.00 0.00 C HETATM 1368 C3 7V9 A 101 -9.955 1.309 8.326 1.00 0.00 C HETATM 1369 O3 7V9 A 101 -11.217 0.930 7.793 1.00 0.00 O HETATM 1370 O4 7V9 A 101 -9.936 -0.927 9.178 1.00 0.00 O HETATM 1371 N5 7V9 A 101 -8.019 0.142 9.206 1.00 0.00 N HETATM 1372 C6 7V9 A 101 -7.255 -1.123 9.390 1.00 0.00 C HETATM 1373 C7 7V9 A 101 -7.614 -2.102 8.272 1.00 0.00 C HETATM 1374 C8 7V9 A 101 -6.340 -2.738 7.717 1.00 0.00 C HETATM 1375 N9 7V9 A 101 -5.989 -2.416 6.502 1.00 0.00 N HETATM 1376 C10 7V9 A 101 -6.283 -3.346 5.376 1.00 0.00 C HETATM 1377 C11 7V9 A 101 -5.091 -4.280 5.162 1.00 0.00 C HETATM 1378 S12 7V9 A 101 -4.234 -3.826 3.633 1.00 0.00 S HETATM 1379 C13 7V9 A 101 -4.348 -5.440 2.822 1.00 0.00 C HETATM 1380 O13 7V9 A 101 -5.392 -6.060 2.847 1.00 0.00 O HETATM 1381 C14 7V9 A 101 -3.789 -5.061 1.596 1.00 0.00 C HETATM 1382 C15 7V9 A 101 -2.442 -4.687 1.522 1.00 0.00 C HETATM 1383 N16 7V9 A 101 -1.878 -4.400 0.338 1.00 0.00 N HETATM 1384 C17 7V9 A 101 -2.582 -4.462 -0.803 1.00 0.00 C HETATM 1385 C18 7V9 A 101 -3.933 -4.830 -0.785 1.00 0.00 C HETATM 1386 C19 7V9 A 101 -4.539 -5.153 0.427 1.00 0.00 C