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 HE2:sc= -8.64! C(o=-7.6!,f=-12!) USER MOD Set 1.2: A 81 THR OG1 : rot 56:sc= 1 USER MOD Set 2.1: A 68 SER OG : rot -76:sc= 0.719! USER MOD Set 2.2: A 71 SER OG : rot 54:sc= 0.903 USER MOD Single : A 1 MET CE :methyl 131:sc= -0.34 (180deg=-1.54!) USER MOD Single : A 1 MET N :NH3+ 157:sc= -0.452 (180deg=-1.51!) USER MOD Single : A 2 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.12) USER MOD Single : A 5 SER OG : rot 86:sc= -3.29! USER MOD Single : A 9 GLN :FLIP amide:sc= -7.29! C(o=-9.6!,f=-7.3!) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -1.48 K(o=-1.5,f=-5.6!) USER MOD Single : A 80 THR OG1 : rot 166:sc= 0.391 USER MOD Single : A 87 LYS NZ :NH3+ 161:sc= -0.14 (180deg=-0.822) USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.738 -2.122 -0.333 1.00 0.00 N ATOM 2 CA MET A 1 13.444 -2.740 0.075 1.00 0.00 C ATOM 3 C MET A 1 13.062 -3.831 -0.926 1.00 0.00 C ATOM 4 O MET A 1 13.030 -3.610 -2.120 1.00 0.00 O ATOM 5 CB MET A 1 12.344 -1.675 0.118 1.00 0.00 C ATOM 6 CG MET A 1 12.396 -0.806 -1.143 1.00 0.00 C ATOM 7 SD MET A 1 11.425 0.699 -0.875 1.00 0.00 S ATOM 8 CE MET A 1 12.524 1.472 0.340 1.00 0.00 C ATOM 0 H1 MET A 1 14.812 -1.169 0.076 1.00 0.00 H new ATOM 0 H2 MET A 1 15.526 -2.708 0.010 1.00 0.00 H new ATOM 0 H3 MET A 1 14.780 -2.057 -1.370 1.00 0.00 H new ATOM 0 HA MET A 1 13.554 -3.177 1.067 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.368 -2.154 0.198 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.467 -1.051 1.003 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.429 -0.549 -1.379 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.003 -1.359 -1.996 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.714 2.506 0.053 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.053 1.449 1.323 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.467 0.927 0.376 1.00 0.00 H new ATOM 20 N GLN A 2 12.783 -5.011 -0.446 1.00 0.00 N ATOM 21 CA GLN A 2 12.413 -6.125 -1.366 1.00 0.00 C ATOM 22 C GLN A 2 11.155 -5.761 -2.160 1.00 0.00 C ATOM 23 O GLN A 2 11.072 -6.010 -3.347 1.00 0.00 O ATOM 24 CB GLN A 2 12.145 -7.387 -0.544 1.00 0.00 C ATOM 25 CG GLN A 2 11.998 -8.585 -1.484 1.00 0.00 C ATOM 26 CD GLN A 2 13.377 -8.998 -2.005 1.00 0.00 C ATOM 27 OE1 GLN A 2 14.226 -9.416 -1.244 1.00 0.00 O ATOM 28 NE2 GLN A 2 13.636 -8.897 -3.280 1.00 0.00 N ATOM 0 H GLN A 2 12.795 -5.253 0.545 1.00 0.00 H new ATOM 0 HA GLN A 2 13.233 -6.300 -2.062 1.00 0.00 H new ATOM 0 HB2 GLN A 2 12.963 -7.558 0.156 1.00 0.00 H new ATOM 0 HB3 GLN A 2 11.239 -7.263 0.049 1.00 0.00 H new ATOM 0 HG2 GLN A 2 11.532 -9.418 -0.958 1.00 0.00 H new ATOM 0 HG3 GLN A 2 11.344 -8.328 -2.318 1.00 0.00 H new ATOM 0 HE21 GLN A 2 12.923 -8.546 -3.919 1.00 0.00 H new ATOM 0 HE22 GLN A 2 14.552 -9.169 -3.638 1.00 0.00 H new ATOM 37 N HIS A 3 10.171 -5.182 -1.524 1.00 0.00 N ATOM 38 CA HIS A 3 8.925 -4.820 -2.266 1.00 0.00 C ATOM 39 C HIS A 3 8.279 -3.569 -1.658 1.00 0.00 C ATOM 40 O HIS A 3 7.216 -3.153 -2.074 1.00 0.00 O ATOM 41 CB HIS A 3 7.931 -5.981 -2.190 1.00 0.00 C ATOM 42 CG HIS A 3 8.555 -7.226 -2.758 1.00 0.00 C ATOM 43 ND1 HIS A 3 8.972 -7.310 -4.080 1.00 0.00 N ATOM 44 CD2 HIS A 3 8.830 -8.451 -2.200 1.00 0.00 C ATOM 45 CE1 HIS A 3 9.470 -8.546 -4.271 1.00 0.00 C ATOM 46 NE2 HIS A 3 9.405 -9.278 -3.159 1.00 0.00 N ATOM 0 H HIS A 3 10.174 -4.945 -0.532 1.00 0.00 H new ATOM 0 HA HIS A 3 9.186 -4.616 -3.304 1.00 0.00 H new ATOM 0 HB2 HIS A 3 7.636 -6.151 -1.155 1.00 0.00 H new ATOM 0 HB3 HIS A 3 7.025 -5.733 -2.743 1.00 0.00 H new ATOM 0 HD1 HIS A 3 8.912 -6.570 -4.779 1.00 0.00 H new ATOM 0 HD2 HIS A 3 8.631 -8.729 -1.176 1.00 0.00 H new ATOM 0 HE1 HIS A 3 9.872 -8.900 -5.209 1.00 0.00 H new ATOM 55 N ALA A 4 8.894 -2.967 -0.675 1.00 0.00 N ATOM 56 CA ALA A 4 8.283 -1.754 -0.059 1.00 0.00 C ATOM 57 C ALA A 4 8.194 -0.632 -1.097 1.00 0.00 C ATOM 58 O ALA A 4 7.287 0.176 -1.069 1.00 0.00 O ATOM 59 CB ALA A 4 9.125 -1.291 1.131 1.00 0.00 C ATOM 0 H ALA A 4 9.785 -3.260 -0.275 1.00 0.00 H new ATOM 0 HA ALA A 4 7.280 -2.001 0.289 1.00 0.00 H new ATOM 0 HB1 ALA A 4 8.671 -0.405 1.575 1.00 0.00 H new ATOM 0 HB2 ALA A 4 9.171 -2.086 1.875 1.00 0.00 H new ATOM 0 HB3 ALA A 4 10.133 -1.052 0.792 1.00 0.00 H new ATOM 65 N SER A 5 9.123 -0.570 -2.011 1.00 0.00 N ATOM 66 CA SER A 5 9.074 0.510 -3.039 1.00 0.00 C ATOM 67 C SER A 5 7.762 0.411 -3.816 1.00 0.00 C ATOM 68 O SER A 5 7.179 1.406 -4.199 1.00 0.00 O ATOM 69 CB SER A 5 10.250 0.353 -4.006 1.00 0.00 C ATOM 70 OG SER A 5 10.058 -0.817 -4.790 1.00 0.00 O ATOM 0 H SER A 5 9.909 -1.215 -2.091 1.00 0.00 H new ATOM 0 HA SER A 5 9.137 1.481 -2.548 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.326 1.229 -4.651 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.186 0.284 -3.451 1.00 0.00 H new ATOM 0 HG SER A 5 9.505 -0.601 -5.570 1.00 0.00 H new ATOM 76 N VAL A 6 7.286 -0.782 -4.043 1.00 0.00 N ATOM 77 CA VAL A 6 6.006 -0.942 -4.786 1.00 0.00 C ATOM 78 C VAL A 6 4.863 -0.371 -3.947 1.00 0.00 C ATOM 79 O VAL A 6 3.938 0.226 -4.458 1.00 0.00 O ATOM 80 CB VAL A 6 5.749 -2.423 -5.054 1.00 0.00 C ATOM 81 CG1 VAL A 6 4.353 -2.602 -5.653 1.00 0.00 C ATOM 82 CG2 VAL A 6 6.796 -2.951 -6.037 1.00 0.00 C ATOM 0 H VAL A 6 7.728 -1.652 -3.746 1.00 0.00 H new ATOM 0 HA VAL A 6 6.067 -0.410 -5.735 1.00 0.00 H new ATOM 0 HB VAL A 6 5.815 -2.977 -4.118 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.172 -3.660 -5.844 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.606 -2.226 -4.954 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.285 -2.048 -6.589 1.00 0.00 H new ATOM 0 HG21 VAL A 6 6.614 -4.008 -6.229 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.730 -2.395 -6.972 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.791 -2.826 -5.610 1.00 0.00 H new ATOM 92 N ILE A 7 4.920 -0.561 -2.661 1.00 0.00 N ATOM 93 CA ILE A 7 3.841 -0.040 -1.780 1.00 0.00 C ATOM 94 C ILE A 7 3.777 1.486 -1.870 1.00 0.00 C ATOM 95 O ILE A 7 2.717 2.066 -2.005 1.00 0.00 O ATOM 96 CB ILE A 7 4.131 -0.439 -0.336 1.00 0.00 C ATOM 97 CG1 ILE A 7 4.325 -1.952 -0.241 1.00 0.00 C ATOM 98 CG2 ILE A 7 2.961 -0.018 0.554 1.00 0.00 C ATOM 99 CD1 ILE A 7 3.159 -2.666 -0.912 1.00 0.00 C ATOM 0 H ILE A 7 5.670 -1.057 -2.180 1.00 0.00 H new ATOM 0 HA ILE A 7 2.888 -0.460 -2.102 1.00 0.00 H new ATOM 0 HB ILE A 7 5.042 0.059 -0.004 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.262 -2.238 -0.719 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.395 -2.254 0.804 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.168 -0.303 1.586 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.830 1.062 0.495 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.051 -0.513 0.216 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.303 -3.744 -0.841 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.229 -2.391 -0.415 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.109 -2.375 -1.961 1.00 0.00 H new ATOM 111 N ALA A 8 4.900 2.143 -1.779 1.00 0.00 N ATOM 112 CA ALA A 8 4.896 3.635 -1.840 1.00 0.00 C ATOM 113 C ALA A 8 4.400 4.112 -3.204 1.00 0.00 C ATOM 114 O ALA A 8 3.536 4.962 -3.296 1.00 0.00 O ATOM 115 CB ALA A 8 6.314 4.159 -1.610 1.00 0.00 C ATOM 0 H ALA A 8 5.819 1.715 -1.665 1.00 0.00 H new ATOM 0 HA ALA A 8 4.228 4.015 -1.066 1.00 0.00 H new ATOM 0 HB1 ALA A 8 6.311 5.248 -1.655 1.00 0.00 H new ATOM 0 HB2 ALA A 8 6.666 3.837 -0.630 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.977 3.766 -2.381 1.00 0.00 H new ATOM 121 N GLN A 9 4.941 3.583 -4.265 1.00 0.00 N ATOM 122 CA GLN A 9 4.495 4.025 -5.614 1.00 0.00 C ATOM 123 C GLN A 9 3.071 3.534 -5.877 1.00 0.00 C ATOM 124 O GLN A 9 2.243 4.258 -6.386 1.00 0.00 O ATOM 125 CB GLN A 9 5.457 3.494 -6.685 1.00 0.00 C ATOM 126 CG GLN A 9 5.163 2.024 -6.976 1.00 0.00 C ATOM 127 CD GLN A 9 3.996 1.918 -7.960 1.00 0.00 C ATOM 128 OE1 GLN A 9 3.107 0.976 -7.798 1.00 0.00 O flip ATOM 129 NE2 GLN A 9 3.893 2.697 -8.886 1.00 0.00 N flip ATOM 0 H GLN A 9 5.668 2.868 -4.257 1.00 0.00 H new ATOM 0 HA GLN A 9 4.500 5.114 -5.655 1.00 0.00 H new ATOM 0 HB2 GLN A 9 5.356 4.080 -7.598 1.00 0.00 H new ATOM 0 HB3 GLN A 9 6.487 3.606 -6.347 1.00 0.00 H new ATOM 0 HG2 GLN A 9 6.047 1.541 -7.392 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.920 1.501 -6.051 1.00 0.00 H new ATOM 0 HE21 GLN A 9 4.588 3.433 -9.013 1.00 0.00 H new ATOM 0 HE22 GLN A 9 3.112 2.615 -9.537 1.00 0.00 H new ATOM 138 N PHE A 10 2.776 2.314 -5.528 1.00 0.00 N ATOM 139 CA PHE A 10 1.401 1.786 -5.756 1.00 0.00 C ATOM 140 C PHE A 10 0.397 2.617 -4.960 1.00 0.00 C ATOM 141 O PHE A 10 -0.635 3.017 -5.463 1.00 0.00 O ATOM 142 CB PHE A 10 1.335 0.328 -5.296 1.00 0.00 C ATOM 143 CG PHE A 10 -0.023 -0.246 -5.626 1.00 0.00 C ATOM 144 CD1 PHE A 10 -0.269 -0.779 -6.897 1.00 0.00 C ATOM 145 CD2 PHE A 10 -1.035 -0.247 -4.659 1.00 0.00 C ATOM 146 CE1 PHE A 10 -1.528 -1.314 -7.200 1.00 0.00 C ATOM 147 CE2 PHE A 10 -2.293 -0.780 -4.962 1.00 0.00 C ATOM 148 CZ PHE A 10 -2.540 -1.314 -6.233 1.00 0.00 C ATOM 0 H PHE A 10 3.427 1.659 -5.095 1.00 0.00 H new ATOM 0 HA PHE A 10 1.159 1.845 -6.817 1.00 0.00 H new ATOM 0 HB2 PHE A 10 2.116 -0.254 -5.785 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.516 0.266 -4.223 1.00 0.00 H new ATOM 0 HD1 PHE A 10 0.511 -0.778 -7.644 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.845 0.164 -3.678 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.718 -1.726 -8.180 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.074 -0.780 -4.216 1.00 0.00 H new ATOM 0 HZ PHE A 10 -3.511 -1.726 -6.467 1.00 0.00 H new ATOM 158 N VAL A 11 0.689 2.873 -3.718 1.00 0.00 N ATOM 159 CA VAL A 11 -0.245 3.673 -2.878 1.00 0.00 C ATOM 160 C VAL A 11 -0.299 5.117 -3.386 1.00 0.00 C ATOM 161 O VAL A 11 -1.356 5.688 -3.552 1.00 0.00 O ATOM 162 CB VAL A 11 0.253 3.664 -1.433 1.00 0.00 C ATOM 163 CG1 VAL A 11 -0.655 4.542 -0.575 1.00 0.00 C ATOM 164 CG2 VAL A 11 0.236 2.231 -0.897 1.00 0.00 C ATOM 0 H VAL A 11 1.538 2.562 -3.245 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.243 3.238 -2.932 1.00 0.00 H new ATOM 0 HB VAL A 11 1.271 4.053 -1.397 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.300 4.535 0.455 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -0.641 5.563 -0.957 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.674 4.156 -0.610 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.591 2.224 0.134 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.781 1.841 -0.933 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.886 1.606 -1.509 1.00 0.00 H new ATOM 174 N VAL A 12 0.839 5.709 -3.626 1.00 0.00 N ATOM 175 CA VAL A 12 0.872 7.119 -4.113 1.00 0.00 C ATOM 176 C VAL A 12 0.272 7.213 -5.517 1.00 0.00 C ATOM 177 O VAL A 12 -0.352 8.194 -5.870 1.00 0.00 O ATOM 178 CB VAL A 12 2.318 7.606 -4.146 1.00 0.00 C ATOM 179 CG1 VAL A 12 2.382 8.978 -4.819 1.00 0.00 C ATOM 180 CG2 VAL A 12 2.851 7.714 -2.716 1.00 0.00 C ATOM 0 H VAL A 12 1.754 5.274 -3.505 1.00 0.00 H new ATOM 0 HA VAL A 12 0.285 7.741 -3.438 1.00 0.00 H new ATOM 0 HB VAL A 12 2.926 6.898 -4.709 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.415 9.324 -4.842 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.002 8.902 -5.838 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.774 9.687 -4.258 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.884 8.062 -2.738 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.242 8.421 -2.153 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.808 6.736 -2.237 1.00 0.00 H new ATOM 190 N GLU A 13 0.469 6.211 -6.326 1.00 0.00 N ATOM 191 CA GLU A 13 -0.074 6.255 -7.714 1.00 0.00 C ATOM 192 C GLU A 13 -1.570 6.573 -7.678 1.00 0.00 C ATOM 193 O GLU A 13 -2.088 7.262 -8.534 1.00 0.00 O ATOM 194 CB GLU A 13 0.136 4.896 -8.385 1.00 0.00 C ATOM 195 CG GLU A 13 -0.313 4.961 -9.843 1.00 0.00 C ATOM 196 CD GLU A 13 -0.249 3.562 -10.458 1.00 0.00 C ATOM 197 OE1 GLU A 13 0.111 2.639 -9.747 1.00 0.00 O ATOM 198 OE2 GLU A 13 -0.561 3.437 -11.632 1.00 0.00 O ATOM 0 H GLU A 13 0.982 5.363 -6.087 1.00 0.00 H new ATOM 0 HA GLU A 13 0.446 7.030 -8.277 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.187 4.613 -8.331 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.428 4.128 -7.856 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.329 5.351 -9.905 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.326 5.645 -10.401 1.00 0.00 H new ATOM 205 N GLU A 14 -2.269 6.068 -6.702 1.00 0.00 N ATOM 206 CA GLU A 14 -3.734 6.330 -6.619 1.00 0.00 C ATOM 207 C GLU A 14 -4.004 7.808 -6.312 1.00 0.00 C ATOM 208 O GLU A 14 -4.976 8.374 -6.772 1.00 0.00 O ATOM 209 CB GLU A 14 -4.338 5.467 -5.510 1.00 0.00 C ATOM 210 CG GLU A 14 -4.203 3.989 -5.882 1.00 0.00 C ATOM 211 CD GLU A 14 -4.867 3.128 -4.806 1.00 0.00 C ATOM 212 OE1 GLU A 14 -4.998 1.936 -5.026 1.00 0.00 O ATOM 213 OE2 GLU A 14 -5.232 3.677 -3.778 1.00 0.00 O ATOM 0 H GLU A 14 -1.890 5.484 -5.956 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.188 6.083 -7.578 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.831 5.663 -4.565 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.388 5.722 -5.367 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.669 3.803 -6.850 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.151 3.722 -5.978 1.00 0.00 H new ATOM 220 N PHE A 15 -3.173 8.435 -5.525 1.00 0.00 N ATOM 221 CA PHE A 15 -3.419 9.867 -5.182 1.00 0.00 C ATOM 222 C PHE A 15 -2.678 10.793 -6.152 1.00 0.00 C ATOM 223 O PHE A 15 -3.286 11.561 -6.871 1.00 0.00 O ATOM 224 CB PHE A 15 -2.935 10.139 -3.757 1.00 0.00 C ATOM 225 CG PHE A 15 -3.581 9.153 -2.818 1.00 0.00 C ATOM 226 CD1 PHE A 15 -2.901 7.982 -2.472 1.00 0.00 C ATOM 227 CD2 PHE A 15 -4.857 9.402 -2.299 1.00 0.00 C ATOM 228 CE1 PHE A 15 -3.492 7.057 -1.609 1.00 0.00 C ATOM 229 CE2 PHE A 15 -5.451 8.477 -1.432 1.00 0.00 C ATOM 230 CZ PHE A 15 -4.769 7.304 -1.087 1.00 0.00 C ATOM 0 H PHE A 15 -2.339 8.022 -5.106 1.00 0.00 H new ATOM 0 HA PHE A 15 -4.488 10.063 -5.258 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.850 10.051 -3.706 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -3.186 11.158 -3.463 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -1.916 7.792 -2.873 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -5.383 10.307 -2.567 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -2.966 6.152 -1.344 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -6.435 8.668 -1.030 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.227 6.590 -0.419 1.00 0.00 H new ATOM 240 N LEU A 16 -1.370 10.740 -6.163 1.00 0.00 N ATOM 241 CA LEU A 16 -0.593 11.636 -7.073 1.00 0.00 C ATOM 242 C LEU A 16 0.348 10.810 -7.952 1.00 0.00 C ATOM 243 O LEU A 16 1.519 10.669 -7.658 1.00 0.00 O ATOM 244 CB LEU A 16 0.233 12.608 -6.229 1.00 0.00 C ATOM 245 CG LEU A 16 -0.474 13.963 -6.172 1.00 0.00 C ATOM 246 CD1 LEU A 16 -1.834 13.802 -5.492 1.00 0.00 C ATOM 247 CD2 LEU A 16 0.381 14.949 -5.372 1.00 0.00 C ATOM 0 H LEU A 16 -0.808 10.117 -5.583 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.285 12.185 -7.711 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.364 12.211 -5.222 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.228 12.723 -6.658 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.617 14.341 -7.184 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.337 14.768 -5.452 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.444 13.099 -6.059 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.692 13.424 -4.479 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.121 15.915 -5.330 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.523 14.570 -4.360 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.351 15.065 -5.855 1.00 0.00 H new ATOM 259 N PRO A 17 -0.160 10.279 -9.029 1.00 0.00 N ATOM 260 CA PRO A 17 0.640 9.466 -9.981 1.00 0.00 C ATOM 261 C PRO A 17 1.419 10.338 -10.971 1.00 0.00 C ATOM 262 O PRO A 17 2.397 9.911 -11.553 1.00 0.00 O ATOM 263 CB PRO A 17 -0.411 8.633 -10.709 1.00 0.00 C ATOM 264 CG PRO A 17 -1.675 9.425 -10.641 1.00 0.00 C ATOM 265 CD PRO A 17 -1.559 10.394 -9.459 1.00 0.00 C ATOM 0 HA PRO A 17 1.396 8.866 -9.474 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -0.118 8.451 -11.743 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -0.534 7.659 -10.236 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.833 9.973 -11.570 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.533 8.765 -10.511 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -1.801 11.414 -9.756 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -2.245 10.125 -8.656 1.00 0.00 H new ATOM 273 N ASP A 18 0.994 11.559 -11.165 1.00 0.00 N ATOM 274 CA ASP A 18 1.710 12.455 -12.111 1.00 0.00 C ATOM 275 C ASP A 18 2.985 12.970 -11.445 1.00 0.00 C ATOM 276 O ASP A 18 3.782 13.660 -12.047 1.00 0.00 O ATOM 277 CB ASP A 18 0.807 13.634 -12.468 1.00 0.00 C ATOM 278 CG ASP A 18 -0.384 13.137 -13.287 1.00 0.00 C ATOM 279 OD1 ASP A 18 -1.316 13.903 -13.466 1.00 0.00 O ATOM 280 OD2 ASP A 18 -0.345 11.998 -13.723 1.00 0.00 O ATOM 0 H ASP A 18 0.181 11.972 -10.707 1.00 0.00 H new ATOM 0 HA ASP A 18 1.968 11.908 -13.018 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.457 14.125 -11.560 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.368 14.376 -13.036 1.00 0.00 H new ATOM 285 N VAL A 19 3.180 12.623 -10.203 1.00 0.00 N ATOM 286 CA VAL A 19 4.401 13.068 -9.475 1.00 0.00 C ATOM 287 C VAL A 19 5.262 11.843 -9.176 1.00 0.00 C ATOM 288 O VAL A 19 4.755 10.781 -8.873 1.00 0.00 O ATOM 289 CB VAL A 19 3.998 13.745 -8.162 1.00 0.00 C ATOM 290 CG1 VAL A 19 5.244 14.294 -7.466 1.00 0.00 C ATOM 291 CG2 VAL A 19 3.031 14.894 -8.460 1.00 0.00 C ATOM 0 H VAL A 19 2.540 12.046 -9.657 1.00 0.00 H new ATOM 0 HA VAL A 19 4.961 13.778 -10.084 1.00 0.00 H new ATOM 0 HB VAL A 19 3.512 13.018 -7.512 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.956 14.776 -6.532 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.933 13.476 -7.255 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.732 15.022 -8.114 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.742 15.378 -7.527 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.519 15.621 -9.110 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.143 14.503 -8.956 1.00 0.00 H new ATOM 301 N ALA A 20 6.557 11.966 -9.264 1.00 0.00 N ATOM 302 CA ALA A 20 7.420 10.788 -8.989 1.00 0.00 C ATOM 303 C ALA A 20 7.199 10.341 -7.534 1.00 0.00 C ATOM 304 O ALA A 20 7.435 11.104 -6.618 1.00 0.00 O ATOM 305 CB ALA A 20 8.888 11.177 -9.182 1.00 0.00 C ATOM 0 H ALA A 20 7.050 12.824 -9.512 1.00 0.00 H new ATOM 0 HA ALA A 20 7.168 9.976 -9.671 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.523 10.314 -8.981 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.044 11.511 -10.208 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.144 11.984 -8.495 1.00 0.00 H new ATOM 311 N PRO A 21 6.735 9.129 -7.302 1.00 0.00 N ATOM 312 CA PRO A 21 6.482 8.641 -5.917 1.00 0.00 C ATOM 313 C PRO A 21 7.776 8.541 -5.103 1.00 0.00 C ATOM 314 O PRO A 21 7.764 8.599 -3.890 1.00 0.00 O ATOM 315 CB PRO A 21 5.822 7.270 -6.101 1.00 0.00 C ATOM 316 CG PRO A 21 6.127 6.841 -7.496 1.00 0.00 C ATOM 317 CD PRO A 21 6.420 8.099 -8.311 1.00 0.00 C ATOM 0 HA PRO A 21 5.849 9.327 -5.355 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.211 6.551 -5.380 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.746 7.332 -5.940 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.983 6.167 -7.511 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.285 6.296 -7.922 1.00 0.00 H new ATOM 0 HD2 PRO A 21 7.255 7.944 -8.994 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.562 8.387 -8.918 1.00 0.00 H new ATOM 325 N ALA A 22 8.891 8.405 -5.767 1.00 0.00 N ATOM 326 CA ALA A 22 10.190 8.314 -5.041 1.00 0.00 C ATOM 327 C ALA A 22 10.539 9.685 -4.456 1.00 0.00 C ATOM 328 O ALA A 22 11.401 9.809 -3.610 1.00 0.00 O ATOM 329 CB ALA A 22 11.290 7.881 -6.013 1.00 0.00 C ATOM 0 H ALA A 22 8.959 8.353 -6.783 1.00 0.00 H new ATOM 0 HA ALA A 22 10.108 7.582 -4.237 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.239 7.815 -5.482 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.041 6.907 -6.434 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.374 8.613 -6.817 1.00 0.00 H new ATOM 335 N ASP A 23 9.876 10.714 -4.906 1.00 0.00 N ATOM 336 CA ASP A 23 10.167 12.079 -4.384 1.00 0.00 C ATOM 337 C ASP A 23 9.409 12.287 -3.075 1.00 0.00 C ATOM 338 O ASP A 23 9.446 13.347 -2.483 1.00 0.00 O ATOM 339 CB ASP A 23 9.719 13.126 -5.406 1.00 0.00 C ATOM 340 CG ASP A 23 10.593 13.025 -6.657 1.00 0.00 C ATOM 341 OD1 ASP A 23 10.235 13.626 -7.656 1.00 0.00 O ATOM 342 OD2 ASP A 23 11.608 12.349 -6.594 1.00 0.00 O ATOM 0 H ASP A 23 9.144 10.668 -5.614 1.00 0.00 H new ATOM 0 HA ASP A 23 11.238 12.183 -4.209 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.672 12.970 -5.667 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.795 14.125 -4.976 1.00 0.00 H new ATOM 347 N VAL A 24 8.726 11.277 -2.616 1.00 0.00 N ATOM 348 CA VAL A 24 7.969 11.407 -1.343 1.00 0.00 C ATOM 349 C VAL A 24 8.766 10.735 -0.227 1.00 0.00 C ATOM 350 O VAL A 24 9.313 9.665 -0.401 1.00 0.00 O ATOM 351 CB VAL A 24 6.607 10.726 -1.483 1.00 0.00 C ATOM 352 CG1 VAL A 24 5.795 10.938 -0.204 1.00 0.00 C ATOM 353 CG2 VAL A 24 5.855 11.332 -2.671 1.00 0.00 C ATOM 0 H VAL A 24 8.660 10.366 -3.069 1.00 0.00 H new ATOM 0 HA VAL A 24 7.817 12.460 -1.108 1.00 0.00 H new ATOM 0 HB VAL A 24 6.750 9.658 -1.648 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.824 10.452 -0.305 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.330 10.507 0.642 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.651 12.005 -0.037 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.884 10.848 -2.772 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.712 12.400 -2.505 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.433 11.181 -3.583 1.00 0.00 H new ATOM 363 N ASP A 25 8.845 11.354 0.917 1.00 0.00 N ATOM 364 CA ASP A 25 9.619 10.744 2.032 1.00 0.00 C ATOM 365 C ASP A 25 8.941 9.445 2.465 1.00 0.00 C ATOM 366 O ASP A 25 8.113 9.430 3.355 1.00 0.00 O ATOM 367 CB ASP A 25 9.665 11.716 3.213 1.00 0.00 C ATOM 368 CG ASP A 25 10.481 12.951 2.828 1.00 0.00 C ATOM 369 OD1 ASP A 25 10.424 13.925 3.559 1.00 0.00 O ATOM 370 OD2 ASP A 25 11.150 12.899 1.809 1.00 0.00 O ATOM 0 H ASP A 25 8.409 12.252 1.127 1.00 0.00 H new ATOM 0 HA ASP A 25 10.635 10.532 1.699 1.00 0.00 H new ATOM 0 HB2 ASP A 25 8.654 12.009 3.496 1.00 0.00 H new ATOM 0 HB3 ASP A 25 10.110 11.229 4.081 1.00 0.00 H new ATOM 375 N VAL A 26 9.287 8.351 1.843 1.00 0.00 N ATOM 376 CA VAL A 26 8.661 7.053 2.221 1.00 0.00 C ATOM 377 C VAL A 26 9.034 6.713 3.666 1.00 0.00 C ATOM 378 O VAL A 26 8.629 5.698 4.200 1.00 0.00 O ATOM 379 CB VAL A 26 9.171 5.951 1.290 1.00 0.00 C ATOM 380 CG1 VAL A 26 8.950 6.368 -0.165 1.00 0.00 C ATOM 381 CG2 VAL A 26 10.665 5.729 1.534 1.00 0.00 C ATOM 0 H VAL A 26 9.974 8.300 1.091 1.00 0.00 H new ATOM 0 HA VAL A 26 7.577 7.130 2.132 1.00 0.00 H new ATOM 0 HB VAL A 26 8.628 5.027 1.490 1.00 0.00 H new ATOM 0 HG11 VAL A 26 9.313 5.583 -0.828 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.886 6.527 -0.340 1.00 0.00 H new ATOM 0 HG13 VAL A 26 9.493 7.292 -0.365 1.00 0.00 H new ATOM 0 HG21 VAL A 26 11.029 4.944 0.871 1.00 0.00 H new ATOM 0 HG22 VAL A 26 11.208 6.653 1.334 1.00 0.00 H new ATOM 0 HG23 VAL A 26 10.824 5.431 2.570 1.00 0.00 H new ATOM 391 N ASP A 27 9.794 7.558 4.306 1.00 0.00 N ATOM 392 CA ASP A 27 10.186 7.289 5.719 1.00 0.00 C ATOM 393 C ASP A 27 9.189 7.980 6.652 1.00 0.00 C ATOM 394 O ASP A 27 9.344 7.979 7.857 1.00 0.00 O ATOM 395 CB ASP A 27 11.591 7.838 5.974 1.00 0.00 C ATOM 396 CG ASP A 27 12.607 7.046 5.149 1.00 0.00 C ATOM 397 OD1 ASP A 27 13.736 7.495 5.046 1.00 0.00 O ATOM 398 OD2 ASP A 27 12.237 6.003 4.634 1.00 0.00 O ATOM 0 H ASP A 27 10.161 8.424 3.912 1.00 0.00 H new ATOM 0 HA ASP A 27 10.182 6.215 5.905 1.00 0.00 H new ATOM 0 HB2 ASP A 27 11.634 8.894 5.707 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.834 7.767 7.034 1.00 0.00 H new ATOM 403 N LEU A 28 8.168 8.571 6.098 1.00 0.00 N ATOM 404 CA LEU A 28 7.153 9.268 6.937 1.00 0.00 C ATOM 405 C LEU A 28 5.950 8.354 7.147 1.00 0.00 C ATOM 406 O LEU A 28 5.495 7.692 6.235 1.00 0.00 O ATOM 407 CB LEU A 28 6.709 10.552 6.232 1.00 0.00 C ATOM 408 CG LEU A 28 5.785 11.359 7.148 1.00 0.00 C ATOM 409 CD1 LEU A 28 6.075 12.851 6.974 1.00 0.00 C ATOM 410 CD2 LEU A 28 4.324 11.086 6.776 1.00 0.00 C ATOM 0 H LEU A 28 7.992 8.602 5.094 1.00 0.00 H new ATOM 0 HA LEU A 28 7.587 9.517 7.905 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.580 11.149 5.963 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.192 10.307 5.304 1.00 0.00 H new ATOM 0 HG LEU A 28 5.959 11.066 8.183 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.418 13.428 7.625 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.114 13.053 7.236 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.900 13.137 5.937 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.668 11.662 7.430 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.152 11.378 5.740 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.111 10.023 6.893 1.00 0.00 H new ATOM 422 N ASP A 29 5.428 8.309 8.341 1.00 0.00 N ATOM 423 CA ASP A 29 4.255 7.433 8.592 1.00 0.00 C ATOM 424 C ASP A 29 3.108 7.885 7.693 1.00 0.00 C ATOM 425 O ASP A 29 2.681 9.021 7.736 1.00 0.00 O ATOM 426 CB ASP A 29 3.835 7.543 10.060 1.00 0.00 C ATOM 427 CG ASP A 29 4.933 6.959 10.951 1.00 0.00 C ATOM 428 OD1 ASP A 29 4.876 7.180 12.149 1.00 0.00 O ATOM 429 OD2 ASP A 29 5.812 6.300 10.419 1.00 0.00 O ATOM 0 H ASP A 29 5.761 8.838 9.147 1.00 0.00 H new ATOM 0 HA ASP A 29 4.511 6.396 8.375 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.657 8.586 10.321 1.00 0.00 H new ATOM 0 HB3 ASP A 29 2.898 7.009 10.222 1.00 0.00 H new ATOM 434 N LEU A 30 2.616 7.009 6.864 1.00 0.00 N ATOM 435 CA LEU A 30 1.513 7.397 5.947 1.00 0.00 C ATOM 436 C LEU A 30 0.257 7.738 6.752 1.00 0.00 C ATOM 437 O LEU A 30 -0.797 7.977 6.198 1.00 0.00 O ATOM 438 CB LEU A 30 1.211 6.242 4.987 1.00 0.00 C ATOM 439 CG LEU A 30 0.807 4.999 5.783 1.00 0.00 C ATOM 440 CD1 LEU A 30 -0.518 4.453 5.247 1.00 0.00 C ATOM 441 CD2 LEU A 30 1.888 3.926 5.638 1.00 0.00 C ATOM 0 H LEU A 30 2.930 6.042 6.783 1.00 0.00 H new ATOM 0 HA LEU A 30 1.818 8.274 5.375 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.410 6.524 4.304 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.088 6.025 4.377 1.00 0.00 H new ATOM 0 HG LEU A 30 0.693 5.267 6.833 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.803 3.568 5.816 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.292 5.214 5.347 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.404 4.188 4.196 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.600 3.041 6.205 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.001 3.663 4.586 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.834 4.309 6.019 1.00 0.00 H new ATOM 453 N VAL A 31 0.355 7.765 8.054 1.00 0.00 N ATOM 454 CA VAL A 31 -0.845 8.094 8.872 1.00 0.00 C ATOM 455 C VAL A 31 -1.453 9.391 8.346 1.00 0.00 C ATOM 456 O VAL A 31 -2.657 9.537 8.266 1.00 0.00 O ATOM 457 CB VAL A 31 -0.439 8.267 10.336 1.00 0.00 C ATOM 458 CG1 VAL A 31 0.242 9.624 10.523 1.00 0.00 C ATOM 459 CG2 VAL A 31 -1.686 8.195 11.221 1.00 0.00 C ATOM 0 H VAL A 31 1.207 7.575 8.582 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.576 7.288 8.803 1.00 0.00 H new ATOM 0 HB VAL A 31 0.254 7.474 10.617 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.531 9.745 11.567 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.130 9.675 9.893 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.449 10.419 10.243 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.399 8.318 12.265 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.378 8.988 10.939 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.170 7.227 11.090 1.00 0.00 H new ATOM 469 N ASP A 32 -0.630 10.324 7.958 1.00 0.00 N ATOM 470 CA ASP A 32 -1.170 11.594 7.405 1.00 0.00 C ATOM 471 C ASP A 32 -2.042 11.239 6.204 1.00 0.00 C ATOM 472 O ASP A 32 -3.063 11.848 5.952 1.00 0.00 O ATOM 473 CB ASP A 32 -0.018 12.498 6.961 1.00 0.00 C ATOM 474 CG ASP A 32 0.773 12.956 8.187 1.00 0.00 C ATOM 475 OD1 ASP A 32 0.286 12.762 9.289 1.00 0.00 O ATOM 476 OD2 ASP A 32 1.852 13.496 8.004 1.00 0.00 O ATOM 0 H ASP A 32 0.387 10.262 8.000 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.752 12.124 8.159 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.635 11.961 6.273 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.407 13.362 6.422 1.00 0.00 H new ATOM 481 N ASN A 33 -1.641 10.236 5.472 1.00 0.00 N ATOM 482 CA ASN A 33 -2.429 9.799 4.291 1.00 0.00 C ATOM 483 C ASN A 33 -3.502 8.816 4.750 1.00 0.00 C ATOM 484 O ASN A 33 -4.025 8.044 3.971 1.00 0.00 O ATOM 485 CB ASN A 33 -1.513 9.115 3.282 1.00 0.00 C ATOM 486 CG ASN A 33 -0.418 10.086 2.852 1.00 0.00 C ATOM 487 OD1 ASN A 33 -0.683 11.239 2.575 1.00 0.00 O ATOM 488 ND2 ASN A 33 0.812 9.666 2.789 1.00 0.00 N ATOM 0 H ASN A 33 -0.793 9.697 5.646 1.00 0.00 H new ATOM 0 HA ASN A 33 -2.893 10.665 3.820 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.070 8.222 3.723 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -2.087 8.790 2.415 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.555 10.305 2.507 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.033 8.698 3.022 1.00 0.00 H new ATOM 495 N GLY A 34 -3.826 8.835 6.017 1.00 0.00 N ATOM 496 CA GLY A 34 -4.865 7.906 6.543 1.00 0.00 C ATOM 497 C GLY A 34 -6.038 7.856 5.565 1.00 0.00 C ATOM 498 O GLY A 34 -6.874 6.979 5.625 1.00 0.00 O ATOM 0 H GLY A 34 -3.413 9.457 6.711 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.445 6.909 6.676 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.207 8.241 7.522 1.00 0.00 H new ATOM 502 N VAL A 35 -6.098 8.786 4.655 1.00 0.00 N ATOM 503 CA VAL A 35 -7.210 8.784 3.665 1.00 0.00 C ATOM 504 C VAL A 35 -7.295 7.399 3.022 1.00 0.00 C ATOM 505 O VAL A 35 -8.361 6.909 2.713 1.00 0.00 O ATOM 506 CB VAL A 35 -6.926 9.831 2.583 1.00 0.00 C ATOM 507 CG1 VAL A 35 -7.907 9.653 1.423 1.00 0.00 C ATOM 508 CG2 VAL A 35 -7.089 11.232 3.175 1.00 0.00 C ATOM 0 H VAL A 35 -5.426 9.547 4.554 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.151 9.021 4.161 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.907 9.704 2.217 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.702 10.399 0.655 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.792 8.655 0.999 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -8.927 9.777 1.787 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.887 11.978 2.406 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.108 11.356 3.542 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.388 11.362 4.000 1.00 0.00 H new ATOM 518 N ILE A 36 -6.170 6.771 2.818 1.00 0.00 N ATOM 519 CA ILE A 36 -6.165 5.419 2.192 1.00 0.00 C ATOM 520 C ILE A 36 -6.749 4.388 3.163 1.00 0.00 C ATOM 521 O ILE A 36 -7.185 3.327 2.766 1.00 0.00 O ATOM 522 CB ILE A 36 -4.726 5.022 1.870 1.00 0.00 C ATOM 523 CG1 ILE A 36 -4.723 3.913 0.818 1.00 0.00 C ATOM 524 CG2 ILE A 36 -4.052 4.511 3.144 1.00 0.00 C ATOM 525 CD1 ILE A 36 -3.395 3.154 0.872 1.00 0.00 C ATOM 0 H ILE A 36 -5.249 7.138 3.059 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.766 5.447 1.283 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.186 5.887 1.485 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.552 3.228 0.996 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.869 4.340 -0.174 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.024 4.225 2.922 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.055 5.298 3.898 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.596 3.645 3.521 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.396 2.364 0.121 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.574 3.843 0.673 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.267 2.714 1.861 1.00 0.00 H new ATOM 537 N ASP A 37 -6.733 4.681 4.433 1.00 0.00 N ATOM 538 CA ASP A 37 -7.258 3.709 5.436 1.00 0.00 C ATOM 539 C ASP A 37 -8.697 3.305 5.102 1.00 0.00 C ATOM 540 O ASP A 37 -9.110 2.198 5.385 1.00 0.00 O ATOM 541 CB ASP A 37 -7.224 4.338 6.830 1.00 0.00 C ATOM 542 CG ASP A 37 -5.773 4.599 7.239 1.00 0.00 C ATOM 543 OD1 ASP A 37 -4.890 4.062 6.591 1.00 0.00 O ATOM 544 OD2 ASP A 37 -5.571 5.331 8.194 1.00 0.00 O ATOM 0 H ASP A 37 -6.378 5.554 4.822 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.628 2.820 5.413 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.787 5.271 6.833 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.702 3.675 7.551 1.00 0.00 H new ATOM 549 N SER A 38 -9.470 4.191 4.532 1.00 0.00 N ATOM 550 CA SER A 38 -10.889 3.844 4.218 1.00 0.00 C ATOM 551 C SER A 38 -11.153 3.907 2.712 1.00 0.00 C ATOM 552 O SER A 38 -11.481 2.914 2.093 1.00 0.00 O ATOM 553 CB SER A 38 -11.814 4.826 4.938 1.00 0.00 C ATOM 554 OG SER A 38 -11.684 4.642 6.355 1.00 0.00 O ATOM 0 H SER A 38 -9.184 5.135 4.271 1.00 0.00 H new ATOM 0 HA SER A 38 -11.081 2.825 4.555 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.559 5.850 4.667 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.847 4.663 4.631 1.00 0.00 H new ATOM 559 N LEU A 39 -11.038 5.060 2.117 1.00 0.00 N ATOM 560 CA LEU A 39 -11.313 5.165 0.657 1.00 0.00 C ATOM 561 C LEU A 39 -10.335 4.297 -0.129 1.00 0.00 C ATOM 562 O LEU A 39 -10.725 3.482 -0.940 1.00 0.00 O ATOM 563 CB LEU A 39 -11.171 6.617 0.217 1.00 0.00 C ATOM 564 CG LEU A 39 -11.445 6.725 -1.280 1.00 0.00 C ATOM 565 CD1 LEU A 39 -12.847 6.198 -1.590 1.00 0.00 C ATOM 566 CD2 LEU A 39 -11.357 8.188 -1.695 1.00 0.00 C ATOM 0 H LEU A 39 -10.767 5.930 2.575 1.00 0.00 H new ATOM 0 HA LEU A 39 -12.328 4.819 0.462 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -11.868 7.246 0.771 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -10.168 6.979 0.441 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.710 6.135 -1.828 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -13.037 6.278 -2.660 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.919 5.154 -1.285 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.586 6.786 -1.046 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.551 8.275 -2.764 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -12.097 8.768 -1.143 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.360 8.569 -1.475 1.00 0.00 H new ATOM 578 N GLY A 40 -9.068 4.465 0.106 1.00 0.00 N ATOM 579 CA GLY A 40 -8.065 3.648 -0.625 1.00 0.00 C ATOM 580 C GLY A 40 -8.124 2.205 -0.133 1.00 0.00 C ATOM 581 O GLY A 40 -7.985 1.270 -0.895 1.00 0.00 O ATOM 0 H GLY A 40 -8.682 5.133 0.773 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.261 3.686 -1.696 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.066 4.055 -0.469 1.00 0.00 H new ATOM 585 N LEU A 41 -8.324 2.019 1.141 1.00 0.00 N ATOM 586 CA LEU A 41 -8.389 0.637 1.689 1.00 0.00 C ATOM 587 C LEU A 41 -9.527 -0.118 1.009 1.00 0.00 C ATOM 588 O LEU A 41 -9.402 -1.277 0.670 1.00 0.00 O ATOM 589 CB LEU A 41 -8.632 0.696 3.201 1.00 0.00 C ATOM 590 CG LEU A 41 -8.529 -0.708 3.806 1.00 0.00 C ATOM 591 CD1 LEU A 41 -7.864 -0.624 5.183 1.00 0.00 C ATOM 592 CD2 LEU A 41 -9.932 -1.302 3.963 1.00 0.00 C ATOM 0 H LEU A 41 -8.445 2.764 1.827 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.448 0.121 1.500 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.902 1.357 3.669 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.617 1.116 3.403 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.934 -1.341 3.148 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.791 -1.623 5.613 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.865 -0.199 5.080 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.462 0.010 5.838 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.858 -2.301 4.393 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -10.525 -0.666 4.621 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.413 -1.362 2.987 1.00 0.00 H new ATOM 604 N LEU A 42 -10.637 0.531 0.799 1.00 0.00 N ATOM 605 CA LEU A 42 -11.777 -0.156 0.133 1.00 0.00 C ATOM 606 C LEU A 42 -11.351 -0.574 -1.274 1.00 0.00 C ATOM 607 O LEU A 42 -11.609 -1.677 -1.712 1.00 0.00 O ATOM 608 CB LEU A 42 -12.971 0.799 0.047 1.00 0.00 C ATOM 609 CG LEU A 42 -14.172 0.065 -0.550 1.00 0.00 C ATOM 610 CD1 LEU A 42 -14.661 -0.994 0.434 1.00 0.00 C ATOM 611 CD2 LEU A 42 -15.298 1.067 -0.818 1.00 0.00 C ATOM 0 H LEU A 42 -10.804 1.503 1.058 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.065 -1.037 0.707 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -13.219 1.177 1.039 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -12.716 1.662 -0.569 1.00 0.00 H new ATOM 0 HG LEU A 42 -13.878 -0.414 -1.484 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -15.517 -1.518 0.009 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -13.860 -1.707 0.629 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -14.956 -0.515 1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -16.155 0.546 -1.244 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -15.591 1.544 0.117 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -14.950 1.826 -1.519 1.00 0.00 H new ATOM 623 N LYS A 43 -10.688 0.300 -1.983 1.00 0.00 N ATOM 624 CA LYS A 43 -10.231 -0.043 -3.355 1.00 0.00 C ATOM 625 C LYS A 43 -9.187 -1.157 -3.281 1.00 0.00 C ATOM 626 O LYS A 43 -9.138 -2.035 -4.119 1.00 0.00 O ATOM 627 CB LYS A 43 -9.616 1.194 -4.002 1.00 0.00 C ATOM 628 CG LYS A 43 -10.690 2.269 -4.181 1.00 0.00 C ATOM 629 CD LYS A 43 -10.100 3.461 -4.935 1.00 0.00 C ATOM 630 CE LYS A 43 -11.135 4.585 -5.006 1.00 0.00 C ATOM 631 NZ LYS A 43 -11.538 4.801 -6.424 1.00 0.00 N ATOM 0 H LYS A 43 -10.444 1.239 -1.667 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.078 -0.383 -3.951 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -8.805 1.576 -3.382 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.183 0.934 -4.968 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.539 1.862 -4.731 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.064 2.590 -3.209 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.199 3.813 -4.432 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.806 3.159 -5.940 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -12.007 4.329 -4.404 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.719 5.503 -4.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -12.242 5.565 -6.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.703 5.063 -6.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.951 3.926 -6.805 1.00 0.00 H new ATOM 645 N VAL A 44 -8.345 -1.121 -2.283 1.00 0.00 N ATOM 646 CA VAL A 44 -7.295 -2.171 -2.153 1.00 0.00 C ATOM 647 C VAL A 44 -7.949 -3.538 -1.954 1.00 0.00 C ATOM 648 O VAL A 44 -7.503 -4.532 -2.492 1.00 0.00 O ATOM 649 CB VAL A 44 -6.406 -1.852 -0.949 1.00 0.00 C ATOM 650 CG1 VAL A 44 -5.437 -3.010 -0.709 1.00 0.00 C ATOM 651 CG2 VAL A 44 -5.611 -0.574 -1.228 1.00 0.00 C ATOM 0 H VAL A 44 -8.339 -0.409 -1.552 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.692 -2.191 -3.061 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.028 -1.710 -0.066 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.804 -2.783 0.149 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.001 -3.922 -0.512 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.814 -3.152 -1.592 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.977 -0.345 -0.371 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.989 -0.718 -2.111 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.300 0.253 -1.400 1.00 0.00 H new ATOM 661 N ILE A 45 -8.996 -3.603 -1.182 1.00 0.00 N ATOM 662 CA ILE A 45 -9.669 -4.908 -0.948 1.00 0.00 C ATOM 663 C ILE A 45 -10.158 -5.482 -2.281 1.00 0.00 C ATOM 664 O ILE A 45 -9.886 -6.617 -2.616 1.00 0.00 O ATOM 665 CB ILE A 45 -10.856 -4.690 -0.004 1.00 0.00 C ATOM 666 CG1 ILE A 45 -10.443 -5.041 1.428 1.00 0.00 C ATOM 667 CG2 ILE A 45 -12.032 -5.575 -0.423 1.00 0.00 C ATOM 668 CD1 ILE A 45 -9.125 -4.346 1.776 1.00 0.00 C ATOM 0 H ILE A 45 -9.415 -2.807 -0.702 1.00 0.00 H new ATOM 0 HA ILE A 45 -8.969 -5.612 -0.499 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.160 -3.644 -0.054 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -11.222 -4.733 2.126 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -10.333 -6.121 1.529 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -12.870 -5.412 0.255 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -12.333 -5.322 -1.440 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.732 -6.622 -0.383 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.838 -4.601 2.796 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.347 -4.675 1.087 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.250 -3.266 1.693 1.00 0.00 H new ATOM 680 N ALA A 46 -10.876 -4.705 -3.044 1.00 0.00 N ATOM 681 CA ALA A 46 -11.379 -5.209 -4.354 1.00 0.00 C ATOM 682 C ALA A 46 -10.202 -5.427 -5.307 1.00 0.00 C ATOM 683 O ALA A 46 -10.166 -6.378 -6.061 1.00 0.00 O ATOM 684 CB ALA A 46 -12.343 -4.186 -4.957 1.00 0.00 C ATOM 0 H ALA A 46 -11.136 -3.745 -2.818 1.00 0.00 H new ATOM 0 HA ALA A 46 -11.900 -6.154 -4.203 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.711 -4.554 -5.915 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.183 -4.034 -4.279 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.823 -3.240 -5.107 1.00 0.00 H new ATOM 690 N TRP A 47 -9.242 -4.544 -5.280 1.00 0.00 N ATOM 691 CA TRP A 47 -8.066 -4.688 -6.183 1.00 0.00 C ATOM 692 C TRP A 47 -7.225 -5.888 -5.756 1.00 0.00 C ATOM 693 O TRP A 47 -6.758 -6.657 -6.572 1.00 0.00 O ATOM 694 CB TRP A 47 -7.219 -3.417 -6.106 1.00 0.00 C ATOM 695 CG TRP A 47 -5.941 -3.618 -6.854 1.00 0.00 C ATOM 696 CD1 TRP A 47 -5.784 -3.447 -8.186 1.00 0.00 C ATOM 697 CD2 TRP A 47 -4.640 -4.021 -6.336 1.00 0.00 C ATOM 698 NE1 TRP A 47 -4.470 -3.719 -8.519 1.00 0.00 N ATOM 699 CE2 TRP A 47 -3.726 -4.078 -7.413 1.00 0.00 C ATOM 700 CE3 TRP A 47 -4.171 -4.340 -5.049 1.00 0.00 C ATOM 701 CZ2 TRP A 47 -2.391 -4.439 -7.221 1.00 0.00 C ATOM 702 CZ3 TRP A 47 -2.828 -4.703 -4.852 1.00 0.00 C ATOM 703 CH2 TRP A 47 -1.940 -4.752 -5.936 1.00 0.00 C ATOM 0 H TRP A 47 -9.222 -3.727 -4.670 1.00 0.00 H new ATOM 0 HA TRP A 47 -8.410 -4.843 -7.206 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -7.769 -2.575 -6.527 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -7.008 -3.172 -5.065 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -6.558 -3.147 -8.877 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -4.096 -3.661 -9.466 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -4.847 -4.306 -4.207 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.712 -4.476 -8.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -2.478 -4.946 -3.860 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -0.909 -5.031 -5.778 1.00 0.00 H new ATOM 714 N LEU A 48 -7.015 -6.044 -4.480 1.00 0.00 N ATOM 715 CA LEU A 48 -6.190 -7.180 -3.993 1.00 0.00 C ATOM 716 C LEU A 48 -6.865 -8.507 -4.350 1.00 0.00 C ATOM 717 O LEU A 48 -6.238 -9.418 -4.851 1.00 0.00 O ATOM 718 CB LEU A 48 -6.053 -7.071 -2.474 1.00 0.00 C ATOM 719 CG LEU A 48 -5.036 -8.084 -1.972 1.00 0.00 C ATOM 720 CD1 LEU A 48 -3.630 -7.519 -2.157 1.00 0.00 C ATOM 721 CD2 LEU A 48 -5.285 -8.357 -0.488 1.00 0.00 C ATOM 0 H LEU A 48 -7.381 -5.431 -3.752 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.207 -7.146 -4.462 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.741 -6.063 -2.200 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.019 -7.246 -2.000 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.133 -9.013 -2.534 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.897 -8.242 -1.798 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.455 -7.318 -3.214 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.533 -6.593 -1.591 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.558 -9.083 -0.125 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.184 -7.429 0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.291 -8.754 -0.355 1.00 0.00 H new ATOM 733 N GLU A 49 -8.140 -8.621 -4.099 1.00 0.00 N ATOM 734 CA GLU A 49 -8.853 -9.888 -4.428 1.00 0.00 C ATOM 735 C GLU A 49 -8.929 -10.063 -5.945 1.00 0.00 C ATOM 736 O GLU A 49 -8.853 -11.160 -6.456 1.00 0.00 O ATOM 737 CB GLU A 49 -10.268 -9.845 -3.835 1.00 0.00 C ATOM 738 CG GLU A 49 -11.028 -11.118 -4.201 1.00 0.00 C ATOM 739 CD GLU A 49 -12.450 -11.043 -3.643 1.00 0.00 C ATOM 740 OE1 GLU A 49 -12.782 -10.025 -3.058 1.00 0.00 O ATOM 741 OE2 GLU A 49 -13.183 -12.004 -3.810 1.00 0.00 O ATOM 0 H GLU A 49 -8.719 -7.893 -3.681 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.308 -10.731 -4.003 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.214 -9.743 -2.751 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.802 -8.972 -4.211 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.057 -11.238 -5.284 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.513 -11.990 -3.797 1.00 0.00 H new ATOM 748 N ASP A 50 -9.091 -8.994 -6.670 1.00 0.00 N ATOM 749 CA ASP A 50 -9.187 -9.113 -8.152 1.00 0.00 C ATOM 750 C ASP A 50 -7.909 -9.728 -8.729 1.00 0.00 C ATOM 751 O ASP A 50 -7.957 -10.595 -9.578 1.00 0.00 O ATOM 752 CB ASP A 50 -9.392 -7.725 -8.752 1.00 0.00 C ATOM 753 CG ASP A 50 -9.699 -7.852 -10.246 1.00 0.00 C ATOM 754 OD1 ASP A 50 -9.839 -8.973 -10.708 1.00 0.00 O ATOM 755 OD2 ASP A 50 -9.788 -6.827 -10.901 1.00 0.00 O ATOM 0 H ASP A 50 -9.161 -8.045 -6.303 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.029 -9.760 -8.399 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.211 -7.216 -8.244 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -8.499 -7.118 -8.604 1.00 0.00 H new ATOM 760 N ARG A 51 -6.766 -9.274 -8.294 1.00 0.00 N ATOM 761 CA ARG A 51 -5.492 -9.819 -8.840 1.00 0.00 C ATOM 762 C ARG A 51 -5.039 -11.066 -8.069 1.00 0.00 C ATOM 763 O ARG A 51 -4.703 -12.076 -8.656 1.00 0.00 O ATOM 764 CB ARG A 51 -4.413 -8.743 -8.740 1.00 0.00 C ATOM 765 CG ARG A 51 -4.755 -7.585 -9.678 1.00 0.00 C ATOM 766 CD ARG A 51 -3.614 -6.566 -9.669 1.00 0.00 C ATOM 767 NE ARG A 51 -4.024 -5.352 -10.429 1.00 0.00 N ATOM 768 CZ ARG A 51 -3.116 -4.568 -10.945 1.00 0.00 C ATOM 769 NH1 ARG A 51 -3.474 -3.504 -11.609 1.00 0.00 N ATOM 770 NH2 ARG A 51 -1.850 -4.849 -10.795 1.00 0.00 N ATOM 0 H ARG A 51 -6.660 -8.549 -7.584 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.655 -10.106 -9.879 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.338 -8.383 -7.714 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.442 -9.162 -9.002 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.916 -7.958 -10.690 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.684 -7.110 -9.362 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.361 -6.297 -8.643 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.720 -7.002 -10.115 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.013 -5.133 -10.546 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.463 -3.284 -11.725 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.765 -2.892 -12.012 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.570 -5.681 -10.275 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.141 -4.237 -11.198 1.00 0.00 H new ATOM 784 N PHE A 52 -4.991 -10.998 -6.766 1.00 0.00 N ATOM 785 CA PHE A 52 -4.521 -12.172 -5.977 1.00 0.00 C ATOM 786 C PHE A 52 -5.632 -13.215 -5.817 1.00 0.00 C ATOM 787 O PHE A 52 -5.365 -14.382 -5.613 1.00 0.00 O ATOM 788 CB PHE A 52 -4.069 -11.694 -4.598 1.00 0.00 C ATOM 789 CG PHE A 52 -2.833 -10.838 -4.742 1.00 0.00 C ATOM 790 CD1 PHE A 52 -2.951 -9.447 -4.829 1.00 0.00 C ATOM 791 CD2 PHE A 52 -1.569 -11.438 -4.788 1.00 0.00 C ATOM 792 CE1 PHE A 52 -1.805 -8.654 -4.963 1.00 0.00 C ATOM 793 CE2 PHE A 52 -0.422 -10.645 -4.921 1.00 0.00 C ATOM 794 CZ PHE A 52 -0.541 -9.253 -5.009 1.00 0.00 C ATOM 0 H PHE A 52 -5.256 -10.182 -6.215 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.692 -12.639 -6.509 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.866 -11.124 -4.120 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.859 -12.549 -3.956 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.926 -8.985 -4.793 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.478 -12.512 -4.721 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.896 -7.580 -5.031 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.553 -11.107 -4.956 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.343 -8.641 -5.112 1.00 0.00 H new ATOM 804 N GLY A 53 -6.871 -12.818 -5.896 1.00 0.00 N ATOM 805 CA GLY A 53 -7.970 -13.815 -5.734 1.00 0.00 C ATOM 806 C GLY A 53 -8.121 -14.164 -4.252 1.00 0.00 C ATOM 807 O GLY A 53 -8.504 -15.260 -3.897 1.00 0.00 O ATOM 0 H GLY A 53 -7.170 -11.857 -6.064 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -8.905 -13.409 -6.121 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.750 -14.713 -6.310 1.00 0.00 H new ATOM 811 N ILE A 54 -7.815 -13.238 -3.383 1.00 0.00 N ATOM 812 CA ILE A 54 -7.931 -13.509 -1.922 1.00 0.00 C ATOM 813 C ILE A 54 -9.156 -12.782 -1.364 1.00 0.00 C ATOM 814 O ILE A 54 -9.488 -11.695 -1.784 1.00 0.00 O ATOM 815 CB ILE A 54 -6.674 -13.003 -1.217 1.00 0.00 C ATOM 816 CG1 ILE A 54 -5.447 -13.681 -1.827 1.00 0.00 C ATOM 817 CG2 ILE A 54 -6.753 -13.338 0.274 1.00 0.00 C ATOM 818 CD1 ILE A 54 -4.186 -12.941 -1.386 1.00 0.00 C ATOM 0 H ILE A 54 -7.488 -12.302 -3.624 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.039 -14.581 -1.755 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.596 -11.923 -1.341 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.399 -14.723 -1.511 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.521 -13.680 -2.915 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.856 -12.977 0.776 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.630 -12.859 0.709 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.830 -14.418 0.401 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.310 -13.423 -1.820 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.235 -11.906 -1.724 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.112 -12.965 -0.299 1.00 0.00 H new ATOM 830 N ALA A 55 -9.832 -13.377 -0.423 1.00 0.00 N ATOM 831 CA ALA A 55 -11.040 -12.724 0.153 1.00 0.00 C ATOM 832 C ALA A 55 -10.644 -11.392 0.792 1.00 0.00 C ATOM 833 O ALA A 55 -9.526 -11.205 1.227 1.00 0.00 O ATOM 834 CB ALA A 55 -11.654 -13.636 1.217 1.00 0.00 C ATOM 0 H ALA A 55 -9.601 -14.288 -0.027 1.00 0.00 H new ATOM 0 HA ALA A 55 -11.768 -12.546 -0.638 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -12.538 -13.159 1.639 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.936 -14.586 0.763 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -10.925 -13.814 2.008 1.00 0.00 H new ATOM 840 N ALA A 56 -11.556 -10.460 0.837 1.00 0.00 N ATOM 841 CA ALA A 56 -11.239 -9.132 1.430 1.00 0.00 C ATOM 842 C ALA A 56 -10.736 -9.314 2.864 1.00 0.00 C ATOM 843 O ALA A 56 -9.904 -8.565 3.339 1.00 0.00 O ATOM 844 CB ALA A 56 -12.502 -8.270 1.444 1.00 0.00 C ATOM 0 H ALA A 56 -12.509 -10.562 0.488 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.467 -8.645 0.834 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -12.273 -7.297 1.878 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.863 -8.137 0.424 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.271 -8.761 2.040 1.00 0.00 H new ATOM 850 N ASP A 57 -11.235 -10.298 3.560 1.00 0.00 N ATOM 851 CA ASP A 57 -10.787 -10.523 4.964 1.00 0.00 C ATOM 852 C ASP A 57 -10.968 -9.234 5.768 1.00 0.00 C ATOM 853 O ASP A 57 -10.088 -8.815 6.495 1.00 0.00 O ATOM 854 CB ASP A 57 -9.314 -10.930 4.973 1.00 0.00 C ATOM 855 CG ASP A 57 -9.152 -12.282 4.275 1.00 0.00 C ATOM 856 OD1 ASP A 57 -8.027 -12.633 3.962 1.00 0.00 O ATOM 857 OD2 ASP A 57 -10.156 -12.943 4.067 1.00 0.00 O ATOM 0 H ASP A 57 -11.934 -10.957 3.217 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.383 -11.318 5.413 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -8.714 -10.174 4.467 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -8.950 -10.992 5.998 1.00 0.00 H new ATOM 862 N ASP A 58 -12.102 -8.600 5.640 1.00 0.00 N ATOM 863 CA ASP A 58 -12.341 -7.337 6.392 1.00 0.00 C ATOM 864 C ASP A 58 -13.006 -7.652 7.735 1.00 0.00 C ATOM 865 O ASP A 58 -13.480 -6.771 8.423 1.00 0.00 O ATOM 866 CB ASP A 58 -13.253 -6.424 5.574 1.00 0.00 C ATOM 867 CG ASP A 58 -12.523 -5.971 4.309 1.00 0.00 C ATOM 868 OD1 ASP A 58 -13.179 -5.438 3.430 1.00 0.00 O ATOM 869 OD2 ASP A 58 -11.321 -6.165 4.242 1.00 0.00 O ATOM 0 H ASP A 58 -12.874 -8.903 5.046 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.389 -6.838 6.571 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.169 -6.952 5.308 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.545 -5.558 6.168 1.00 0.00 H new ATOM 874 N VAL A 59 -13.048 -8.900 8.112 1.00 0.00 N ATOM 875 CA VAL A 59 -13.688 -9.261 9.408 1.00 0.00 C ATOM 876 C VAL A 59 -13.011 -8.492 10.545 1.00 0.00 C ATOM 877 O VAL A 59 -13.663 -7.994 11.442 1.00 0.00 O ATOM 878 CB VAL A 59 -13.541 -10.763 9.650 1.00 0.00 C ATOM 879 CG1 VAL A 59 -14.032 -11.107 11.057 1.00 0.00 C ATOM 880 CG2 VAL A 59 -14.374 -11.527 8.619 1.00 0.00 C ATOM 0 H VAL A 59 -12.668 -9.683 7.581 1.00 0.00 H new ATOM 0 HA VAL A 59 -14.746 -9.001 9.374 1.00 0.00 H new ATOM 0 HB VAL A 59 -12.492 -11.045 9.554 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -13.926 -12.178 11.227 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -13.440 -10.562 11.792 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -15.080 -10.826 11.155 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -14.271 -12.599 8.790 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -15.422 -11.244 8.716 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -14.024 -11.284 7.616 1.00 0.00 H new ATOM 890 N GLU A 60 -11.710 -8.386 10.507 1.00 0.00 N ATOM 891 CA GLU A 60 -10.985 -7.642 11.579 1.00 0.00 C ATOM 892 C GLU A 60 -10.298 -6.421 10.967 1.00 0.00 C ATOM 893 O GLU A 60 -9.732 -6.492 9.894 1.00 0.00 O ATOM 894 CB GLU A 60 -9.934 -8.556 12.209 1.00 0.00 C ATOM 895 CG GLU A 60 -10.619 -9.774 12.812 1.00 0.00 C ATOM 896 CD GLU A 60 -9.579 -10.666 13.493 1.00 0.00 C ATOM 897 OE1 GLU A 60 -9.978 -11.595 14.173 1.00 0.00 O ATOM 898 OE2 GLU A 60 -8.399 -10.402 13.322 1.00 0.00 O ATOM 0 H GLU A 60 -11.116 -8.783 9.779 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.691 -7.319 12.344 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.209 -8.868 11.457 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.382 -8.017 12.979 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.372 -9.459 13.535 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.139 -10.333 12.034 1.00 0.00 H new ATOM 905 N LEU A 61 -10.347 -5.301 11.637 1.00 0.00 N ATOM 906 CA LEU A 61 -9.701 -4.078 11.089 1.00 0.00 C ATOM 907 C LEU A 61 -8.423 -3.785 11.879 1.00 0.00 C ATOM 908 O LEU A 61 -8.395 -3.897 13.090 1.00 0.00 O ATOM 909 CB LEU A 61 -10.661 -2.893 11.219 1.00 0.00 C ATOM 910 CG LEU A 61 -12.107 -3.392 11.220 1.00 0.00 C ATOM 911 CD1 LEU A 61 -13.059 -2.197 11.239 1.00 0.00 C ATOM 912 CD2 LEU A 61 -12.374 -4.231 9.966 1.00 0.00 C ATOM 0 H LEU A 61 -10.807 -5.182 12.540 1.00 0.00 H new ATOM 0 HA LEU A 61 -9.455 -4.234 10.038 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -10.455 -2.346 12.139 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -10.508 -2.197 10.394 1.00 0.00 H new ATOM 0 HG LEU A 61 -12.269 -4.007 12.105 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -14.089 -2.553 11.240 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -12.880 -1.603 12.135 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -12.888 -1.582 10.356 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -13.406 -4.582 9.976 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -12.206 -3.622 9.078 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -11.700 -5.087 9.951 1.00 0.00 H new ATOM 924 N SER A 62 -7.365 -3.413 11.208 1.00 0.00 N ATOM 925 CA SER A 62 -6.093 -3.114 11.924 1.00 0.00 C ATOM 926 C SER A 62 -5.510 -1.792 11.419 1.00 0.00 C ATOM 927 O SER A 62 -4.534 -1.773 10.695 1.00 0.00 O ATOM 928 CB SER A 62 -5.090 -4.241 11.670 1.00 0.00 C ATOM 929 OG SER A 62 -5.236 -4.707 10.335 1.00 0.00 O ATOM 0 H SER A 62 -7.328 -3.304 10.195 1.00 0.00 H new ATOM 0 HA SER A 62 -6.293 -3.033 12.992 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.074 -3.883 11.833 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.257 -5.057 12.373 1.00 0.00 H new ATOM 0 HG SER A 62 -4.594 -5.428 10.168 1.00 0.00 H new ATOM 935 N PRO A 63 -6.102 -0.693 11.804 1.00 0.00 N ATOM 936 CA PRO A 63 -5.634 0.663 11.390 1.00 0.00 C ATOM 937 C PRO A 63 -4.184 0.921 11.811 1.00 0.00 C ATOM 938 O PRO A 63 -3.458 1.650 11.166 1.00 0.00 O ATOM 939 CB PRO A 63 -6.578 1.627 12.116 1.00 0.00 C ATOM 940 CG PRO A 63 -7.765 0.816 12.520 1.00 0.00 C ATOM 941 CD PRO A 63 -7.283 -0.625 12.674 1.00 0.00 C ATOM 0 HA PRO A 63 -5.652 0.780 10.306 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -6.092 2.067 12.987 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -6.871 2.450 11.465 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -8.185 1.185 13.456 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -8.552 0.882 11.769 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -7.031 -0.854 13.709 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -8.048 -1.338 12.367 1.00 0.00 H new ATOM 949 N GLU A 64 -3.761 0.323 12.891 1.00 0.00 N ATOM 950 CA GLU A 64 -2.361 0.523 13.363 1.00 0.00 C ATOM 951 C GLU A 64 -1.384 -0.048 12.331 1.00 0.00 C ATOM 952 O GLU A 64 -0.248 0.372 12.232 1.00 0.00 O ATOM 953 CB GLU A 64 -2.168 -0.198 14.696 1.00 0.00 C ATOM 954 CG GLU A 64 -3.056 0.442 15.757 1.00 0.00 C ATOM 955 CD GLU A 64 -2.810 -0.232 17.108 1.00 0.00 C ATOM 956 OE1 GLU A 64 -2.118 -1.237 17.128 1.00 0.00 O ATOM 957 OE2 GLU A 64 -3.317 0.267 18.099 1.00 0.00 O ATOM 0 H GLU A 64 -4.327 -0.298 13.469 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.171 1.589 13.491 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.416 -1.254 14.589 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.123 -0.145 15.002 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.844 1.509 15.828 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.104 0.343 15.476 1.00 0.00 H new ATOM 964 N HIS A 65 -1.819 -1.018 11.576 1.00 0.00 N ATOM 965 CA HIS A 65 -0.928 -1.647 10.557 1.00 0.00 C ATOM 966 C HIS A 65 -0.610 -0.656 9.429 1.00 0.00 C ATOM 967 O HIS A 65 0.401 -0.769 8.765 1.00 0.00 O ATOM 968 CB HIS A 65 -1.637 -2.873 9.976 1.00 0.00 C ATOM 969 CG HIS A 65 -0.740 -3.557 8.985 1.00 0.00 C ATOM 970 ND1 HIS A 65 -1.191 -3.950 7.732 1.00 0.00 N ATOM 971 CD2 HIS A 65 0.579 -3.934 9.044 1.00 0.00 C ATOM 972 CE1 HIS A 65 -0.162 -4.535 7.095 1.00 0.00 C ATOM 973 NE2 HIS A 65 0.938 -4.550 7.851 1.00 0.00 N ATOM 0 H HIS A 65 -2.761 -1.406 11.621 1.00 0.00 H new ATOM 0 HA HIS A 65 0.009 -1.939 11.031 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -1.904 -3.564 10.776 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -2.566 -2.572 9.492 1.00 0.00 H new ATOM 0 HD2 HIS A 65 1.236 -3.776 9.887 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -0.218 -4.942 6.096 1.00 0.00 H new ATOM 0 HE2 HIS A 65 1.851 -4.933 7.605 1.00 0.00 H new ATOM 982 N PHE A 66 -1.466 0.299 9.193 1.00 0.00 N ATOM 983 CA PHE A 66 -1.209 1.275 8.092 1.00 0.00 C ATOM 984 C PHE A 66 -0.390 2.465 8.606 1.00 0.00 C ATOM 985 O PHE A 66 -0.193 3.437 7.905 1.00 0.00 O ATOM 986 CB PHE A 66 -2.547 1.779 7.545 1.00 0.00 C ATOM 987 CG PHE A 66 -3.267 0.645 6.856 1.00 0.00 C ATOM 988 CD1 PHE A 66 -4.207 -0.118 7.557 1.00 0.00 C ATOM 989 CD2 PHE A 66 -2.995 0.359 5.512 1.00 0.00 C ATOM 990 CE1 PHE A 66 -4.876 -1.168 6.916 1.00 0.00 C ATOM 991 CE2 PHE A 66 -3.662 -0.691 4.871 1.00 0.00 C ATOM 992 CZ PHE A 66 -4.603 -1.454 5.573 1.00 0.00 C ATOM 0 H PHE A 66 -2.331 0.447 9.712 1.00 0.00 H new ATOM 0 HA PHE A 66 -0.645 0.777 7.304 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.159 2.173 8.357 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.381 2.598 6.845 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.417 0.103 8.593 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.270 0.949 4.970 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.602 -1.757 7.457 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.451 -0.913 3.835 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.119 -2.264 5.078 1.00 0.00 H new ATOM 1002 N ARG A 67 0.084 2.405 9.818 1.00 0.00 N ATOM 1003 CA ARG A 67 0.881 3.544 10.363 1.00 0.00 C ATOM 1004 C ARG A 67 2.125 3.790 9.503 1.00 0.00 C ATOM 1005 O ARG A 67 2.531 4.919 9.306 1.00 0.00 O ATOM 1006 CB ARG A 67 1.312 3.225 11.796 1.00 0.00 C ATOM 1007 CG ARG A 67 0.078 3.109 12.690 1.00 0.00 C ATOM 1008 CD ARG A 67 -0.397 4.504 13.111 1.00 0.00 C ATOM 1009 NE ARG A 67 -1.457 4.372 14.151 1.00 0.00 N ATOM 1010 CZ ARG A 67 -1.128 4.154 15.395 1.00 0.00 C ATOM 1011 NH1 ARG A 67 -2.055 4.038 16.305 1.00 0.00 N ATOM 1012 NH2 ARG A 67 0.130 4.052 15.729 1.00 0.00 N ATOM 0 H ARG A 67 -0.044 1.619 10.456 1.00 0.00 H new ATOM 0 HA ARG A 67 0.262 4.441 10.352 1.00 0.00 H new ATOM 0 HB2 ARG A 67 1.878 2.293 11.817 1.00 0.00 H new ATOM 0 HB3 ARG A 67 1.972 4.007 12.170 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -0.719 2.590 12.158 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.313 2.514 13.573 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.440 5.083 13.500 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.784 5.045 12.247 1.00 0.00 H new ATOM 0 HE ARG A 67 -2.440 4.452 13.890 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.038 4.118 16.045 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -1.797 3.868 17.277 1.00 0.00 H new ATOM 0 HH21 ARG A 67 0.855 4.143 15.018 1.00 0.00 H new ATOM 0 HH22 ARG A 67 0.387 3.882 16.701 1.00 0.00 H new ATOM 1026 N SER A 68 2.743 2.754 8.997 1.00 0.00 N ATOM 1027 CA SER A 68 3.967 2.954 8.163 1.00 0.00 C ATOM 1028 C SER A 68 3.879 2.122 6.880 1.00 0.00 C ATOM 1029 O SER A 68 3.264 1.075 6.845 1.00 0.00 O ATOM 1030 CB SER A 68 5.199 2.523 8.960 1.00 0.00 C ATOM 1031 OG SER A 68 5.144 1.121 9.185 1.00 0.00 O ATOM 0 H SER A 68 2.456 1.784 9.124 1.00 0.00 H new ATOM 0 HA SER A 68 4.045 4.008 7.897 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.107 2.780 8.415 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.236 3.055 9.911 1.00 0.00 H new ATOM 0 HG SER A 68 4.494 0.928 9.892 1.00 0.00 H new ATOM 1037 N ILE A 69 4.498 2.586 5.826 1.00 0.00 N ATOM 1038 CA ILE A 69 4.468 1.839 4.543 1.00 0.00 C ATOM 1039 C ILE A 69 5.215 0.510 4.697 1.00 0.00 C ATOM 1040 O ILE A 69 4.827 -0.499 4.142 1.00 0.00 O ATOM 1041 CB ILE A 69 5.153 2.680 3.466 1.00 0.00 C ATOM 1042 CG1 ILE A 69 4.415 4.003 3.297 1.00 0.00 C ATOM 1043 CG2 ILE A 69 5.127 1.932 2.145 1.00 0.00 C ATOM 1044 CD1 ILE A 69 5.222 4.926 2.381 1.00 0.00 C ATOM 0 H ILE A 69 5.026 3.458 5.803 1.00 0.00 H new ATOM 0 HA ILE A 69 3.434 1.638 4.262 1.00 0.00 H new ATOM 0 HB ILE A 69 6.184 2.870 3.766 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.426 3.828 2.874 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.267 4.476 4.268 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.616 2.532 1.377 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.653 0.984 2.254 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.094 1.743 1.854 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.694 5.872 2.261 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.201 5.111 2.822 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.347 4.453 1.407 1.00 0.00 H new ATOM 1056 N ARG A 70 6.291 0.507 5.435 1.00 0.00 N ATOM 1057 CA ARG A 70 7.071 -0.752 5.612 1.00 0.00 C ATOM 1058 C ARG A 70 6.202 -1.819 6.280 1.00 0.00 C ATOM 1059 O ARG A 70 6.274 -2.985 5.946 1.00 0.00 O ATOM 1060 CB ARG A 70 8.294 -0.471 6.487 1.00 0.00 C ATOM 1061 CG ARG A 70 9.229 0.499 5.763 1.00 0.00 C ATOM 1062 CD ARG A 70 10.504 0.689 6.585 1.00 0.00 C ATOM 1063 NE ARG A 70 10.148 1.178 7.946 1.00 0.00 N ATOM 1064 CZ ARG A 70 9.930 2.449 8.147 1.00 0.00 C ATOM 1065 NH1 ARG A 70 9.618 2.877 9.340 1.00 0.00 N ATOM 1066 NH2 ARG A 70 10.024 3.292 7.155 1.00 0.00 N ATOM 0 H ARG A 70 6.664 1.321 5.923 1.00 0.00 H new ATOM 0 HA ARG A 70 7.391 -1.114 4.635 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.982 -0.047 7.441 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.818 -1.401 6.707 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.476 0.113 4.774 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.732 1.458 5.616 1.00 0.00 H new ATOM 0 HD2 ARG A 70 11.048 -0.253 6.656 1.00 0.00 H new ATOM 0 HD3 ARG A 70 11.165 1.402 6.092 1.00 0.00 H new ATOM 0 HE ARG A 70 10.075 0.519 8.721 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.545 2.218 10.115 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.448 3.870 9.497 1.00 0.00 H new ATOM 0 HH21 ARG A 70 10.268 2.957 6.223 1.00 0.00 H new ATOM 0 HH22 ARG A 70 9.854 4.285 7.312 1.00 0.00 H new ATOM 1080 N SER A 71 5.382 -1.436 7.218 1.00 0.00 N ATOM 1081 CA SER A 71 4.519 -2.439 7.899 1.00 0.00 C ATOM 1082 C SER A 71 3.615 -3.116 6.867 1.00 0.00 C ATOM 1083 O SER A 71 3.395 -4.310 6.910 1.00 0.00 O ATOM 1084 CB SER A 71 3.661 -1.732 8.946 1.00 0.00 C ATOM 1085 OG SER A 71 4.503 -1.003 9.828 1.00 0.00 O ATOM 0 H SER A 71 5.272 -0.475 7.541 1.00 0.00 H new ATOM 0 HA SER A 71 5.140 -3.192 8.383 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.955 -1.059 8.460 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.074 -2.461 9.505 1.00 0.00 H new ATOM 0 HG SER A 71 5.084 -0.408 9.309 1.00 0.00 H new ATOM 1091 N ILE A 72 3.090 -2.364 5.940 1.00 0.00 N ATOM 1092 CA ILE A 72 2.204 -2.958 4.908 1.00 0.00 C ATOM 1093 C ILE A 72 3.005 -3.920 4.027 1.00 0.00 C ATOM 1094 O ILE A 72 2.547 -4.992 3.685 1.00 0.00 O ATOM 1095 CB ILE A 72 1.629 -1.835 4.048 1.00 0.00 C ATOM 1096 CG1 ILE A 72 0.840 -0.868 4.934 1.00 0.00 C ATOM 1097 CG2 ILE A 72 0.701 -2.431 2.995 1.00 0.00 C ATOM 1098 CD1 ILE A 72 0.374 0.326 4.098 1.00 0.00 C ATOM 0 H ILE A 72 3.239 -1.359 5.855 1.00 0.00 H new ATOM 0 HA ILE A 72 1.396 -3.509 5.390 1.00 0.00 H new ATOM 0 HB ILE A 72 2.441 -1.298 3.558 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.019 -1.377 5.371 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.462 -0.526 5.761 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.289 -1.632 2.379 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.261 -3.122 2.365 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.111 -2.966 3.487 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.188 1.015 4.729 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.241 0.840 3.682 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.263 -0.025 3.286 1.00 0.00 H new ATOM 1110 N ASP A 73 4.196 -3.540 3.652 1.00 0.00 N ATOM 1111 CA ASP A 73 5.025 -4.425 2.786 1.00 0.00 C ATOM 1112 C ASP A 73 5.281 -5.759 3.491 1.00 0.00 C ATOM 1113 O ASP A 73 5.282 -6.806 2.873 1.00 0.00 O ATOM 1114 CB ASP A 73 6.362 -3.741 2.497 1.00 0.00 C ATOM 1115 CG ASP A 73 7.126 -4.538 1.438 1.00 0.00 C ATOM 1116 OD1 ASP A 73 6.536 -5.439 0.863 1.00 0.00 O ATOM 1117 OD2 ASP A 73 8.287 -4.236 1.220 1.00 0.00 O ATOM 0 H ASP A 73 4.631 -2.654 3.908 1.00 0.00 H new ATOM 0 HA ASP A 73 4.494 -4.611 1.852 1.00 0.00 H new ATOM 0 HB2 ASP A 73 6.193 -2.722 2.149 1.00 0.00 H new ATOM 0 HB3 ASP A 73 6.952 -3.672 3.411 1.00 0.00 H new ATOM 1122 N ALA A 74 5.504 -5.733 4.775 1.00 0.00 N ATOM 1123 CA ALA A 74 5.768 -7.005 5.507 1.00 0.00 C ATOM 1124 C ALA A 74 4.540 -7.912 5.426 1.00 0.00 C ATOM 1125 O ALA A 74 4.651 -9.109 5.250 1.00 0.00 O ATOM 1126 CB ALA A 74 6.077 -6.696 6.973 1.00 0.00 C ATOM 0 H ALA A 74 5.515 -4.890 5.349 1.00 0.00 H new ATOM 0 HA ALA A 74 6.620 -7.511 5.053 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.270 -7.626 7.508 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.956 -6.054 7.032 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.225 -6.187 7.425 1.00 0.00 H new ATOM 1132 N PHE A 75 3.370 -7.353 5.552 1.00 0.00 N ATOM 1133 CA PHE A 75 2.137 -8.187 5.481 1.00 0.00 C ATOM 1134 C PHE A 75 2.033 -8.832 4.099 1.00 0.00 C ATOM 1135 O PHE A 75 1.776 -10.013 3.971 1.00 0.00 O ATOM 1136 CB PHE A 75 0.913 -7.308 5.725 1.00 0.00 C ATOM 1137 CG PHE A 75 -0.324 -8.171 5.792 1.00 0.00 C ATOM 1138 CD1 PHE A 75 -0.686 -8.782 6.999 1.00 0.00 C ATOM 1139 CD2 PHE A 75 -1.108 -8.361 4.648 1.00 0.00 C ATOM 1140 CE1 PHE A 75 -1.833 -9.582 7.060 1.00 0.00 C ATOM 1141 CE2 PHE A 75 -2.254 -9.161 4.710 1.00 0.00 C ATOM 1142 CZ PHE A 75 -2.617 -9.772 5.916 1.00 0.00 C ATOM 0 H PHE A 75 3.213 -6.356 5.701 1.00 0.00 H new ATOM 0 HA PHE A 75 2.183 -8.966 6.242 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.032 -6.752 6.655 1.00 0.00 H new ATOM 0 HB3 PHE A 75 0.814 -6.574 4.925 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -0.081 -8.636 7.882 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.828 -7.890 3.717 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -2.113 -10.053 7.991 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -2.859 -9.307 3.827 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.502 -10.390 5.964 1.00 0.00 H new ATOM 1152 N VAL A 76 2.231 -8.066 3.061 1.00 0.00 N ATOM 1153 CA VAL A 76 2.143 -8.628 1.691 1.00 0.00 C ATOM 1154 C VAL A 76 3.250 -9.665 1.485 1.00 0.00 C ATOM 1155 O VAL A 76 3.022 -10.728 0.946 1.00 0.00 O ATOM 1156 CB VAL A 76 2.306 -7.496 0.679 1.00 0.00 C ATOM 1157 CG1 VAL A 76 2.457 -8.086 -0.717 1.00 0.00 C ATOM 1158 CG2 VAL A 76 1.072 -6.594 0.722 1.00 0.00 C ATOM 0 H VAL A 76 2.451 -7.071 3.107 1.00 0.00 H new ATOM 0 HA VAL A 76 1.175 -9.110 1.554 1.00 0.00 H new ATOM 0 HB VAL A 76 3.192 -6.910 0.925 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.574 -7.280 -1.442 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.335 -8.731 -0.747 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.570 -8.670 -0.963 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.187 -5.785 0.000 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.186 -7.178 0.475 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.963 -6.175 1.722 1.00 0.00 H new ATOM 1168 N VAL A 77 4.446 -9.363 1.912 1.00 0.00 N ATOM 1169 CA VAL A 77 5.566 -10.325 1.741 1.00 0.00 C ATOM 1170 C VAL A 77 5.244 -11.625 2.480 1.00 0.00 C ATOM 1171 O VAL A 77 5.512 -12.708 2.000 1.00 0.00 O ATOM 1172 CB VAL A 77 6.839 -9.711 2.321 1.00 0.00 C ATOM 1173 CG1 VAL A 77 7.937 -10.767 2.358 1.00 0.00 C ATOM 1174 CG2 VAL A 77 7.288 -8.539 1.445 1.00 0.00 C ATOM 0 H VAL A 77 4.694 -8.488 2.373 1.00 0.00 H new ATOM 0 HA VAL A 77 5.708 -10.541 0.682 1.00 0.00 H new ATOM 0 HB VAL A 77 6.642 -9.353 3.331 1.00 0.00 H new ATOM 0 HG11 VAL A 77 8.847 -10.332 2.771 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.618 -11.602 2.982 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.133 -11.124 1.347 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.196 -8.102 1.860 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.486 -8.895 0.434 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.502 -7.784 1.416 1.00 0.00 H new ATOM 1184 N GLY A 78 4.679 -11.523 3.648 1.00 0.00 N ATOM 1185 CA GLY A 78 4.345 -12.745 4.431 1.00 0.00 C ATOM 1186 C GLY A 78 3.382 -13.639 3.642 1.00 0.00 C ATOM 1187 O GLY A 78 3.405 -14.847 3.774 1.00 0.00 O ATOM 0 H GLY A 78 4.432 -10.641 4.098 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.256 -13.297 4.662 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.893 -12.463 5.382 1.00 0.00 H new ATOM 1191 N ALA A 79 2.525 -13.063 2.839 1.00 0.00 N ATOM 1192 CA ALA A 79 1.557 -13.898 2.068 1.00 0.00 C ATOM 1193 C ALA A 79 1.987 -14.017 0.605 1.00 0.00 C ATOM 1194 O ALA A 79 2.051 -15.101 0.058 1.00 0.00 O ATOM 1195 CB ALA A 79 0.171 -13.254 2.136 1.00 0.00 C ATOM 0 H ALA A 79 2.454 -12.057 2.685 1.00 0.00 H new ATOM 0 HA ALA A 79 1.531 -14.896 2.505 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.540 -13.860 1.574 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.149 -13.189 3.176 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.213 -12.253 1.706 1.00 0.00 H new ATOM 1201 N THR A 80 2.275 -12.917 -0.034 1.00 0.00 N ATOM 1202 CA THR A 80 2.692 -12.974 -1.467 1.00 0.00 C ATOM 1203 C THR A 80 3.956 -12.140 -1.672 1.00 0.00 C ATOM 1204 O THR A 80 4.253 -11.246 -0.910 1.00 0.00 O ATOM 1205 CB THR A 80 1.568 -12.419 -2.345 1.00 0.00 C ATOM 1206 OG1 THR A 80 1.535 -11.002 -2.228 1.00 0.00 O ATOM 1207 CG2 THR A 80 0.229 -13.002 -1.894 1.00 0.00 C ATOM 0 H THR A 80 2.240 -11.982 0.372 1.00 0.00 H new ATOM 0 HA THR A 80 2.896 -14.009 -1.742 1.00 0.00 H new ATOM 0 HB THR A 80 1.748 -12.695 -3.384 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.976 -10.628 -2.941 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.570 -12.605 -2.520 1.00 0.00 H new ATOM 0 HG22 THR A 80 0.256 -14.088 -1.984 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.045 -12.729 -0.855 1.00 0.00 H new ATOM 1215 N THR A 81 4.699 -12.421 -2.707 1.00 0.00 N ATOM 1216 CA THR A 81 5.938 -11.641 -2.968 1.00 0.00 C ATOM 1217 C THR A 81 6.031 -11.326 -4.465 1.00 0.00 C ATOM 1218 O THR A 81 6.615 -12.073 -5.225 1.00 0.00 O ATOM 1219 CB THR A 81 7.151 -12.469 -2.538 1.00 0.00 C ATOM 1220 OG1 THR A 81 8.318 -11.961 -3.169 1.00 0.00 O ATOM 1221 CG2 THR A 81 6.943 -13.930 -2.942 1.00 0.00 C ATOM 0 H THR A 81 4.500 -13.158 -3.383 1.00 0.00 H new ATOM 0 HA THR A 81 5.916 -10.709 -2.404 1.00 0.00 H new ATOM 0 HB THR A 81 7.268 -12.408 -1.456 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.414 -11.008 -2.960 1.00 0.00 H new ATOM 0 HG21 THR A 81 7.807 -14.519 -2.635 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.048 -14.318 -2.455 1.00 0.00 H new ATOM 0 HG23 THR A 81 6.825 -13.995 -4.024 1.00 0.00 H new ATOM 1229 N PRO A 82 5.454 -10.228 -4.890 1.00 0.00 N ATOM 1230 CA PRO A 82 5.467 -9.813 -6.318 1.00 0.00 C ATOM 1231 C PRO A 82 6.757 -9.080 -6.706 1.00 0.00 C ATOM 1232 O PRO A 82 7.468 -8.569 -5.864 1.00 0.00 O ATOM 1233 CB PRO A 82 4.267 -8.876 -6.423 1.00 0.00 C ATOM 1234 CG PRO A 82 4.107 -8.278 -5.061 1.00 0.00 C ATOM 1235 CD PRO A 82 4.722 -9.260 -4.056 1.00 0.00 C ATOM 0 HA PRO A 82 5.418 -10.669 -6.991 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.436 -8.104 -7.173 1.00 0.00 H new ATOM 0 HB3 PRO A 82 3.370 -9.419 -6.721 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.605 -7.310 -5.006 1.00 0.00 H new ATOM 0 HG3 PRO A 82 3.054 -8.108 -4.837 1.00 0.00 H new ATOM 0 HD2 PRO A 82 5.389 -8.751 -3.360 1.00 0.00 H new ATOM 0 HD3 PRO A 82 3.953 -9.751 -3.459 1.00 0.00 H new ATOM 1243 N PRO A 83 7.048 -9.026 -7.979 1.00 0.00 N ATOM 1244 CA PRO A 83 8.267 -8.343 -8.504 1.00 0.00 C ATOM 1245 C PRO A 83 8.267 -6.845 -8.184 1.00 0.00 C ATOM 1246 O PRO A 83 7.225 -6.231 -8.062 1.00 0.00 O ATOM 1247 CB PRO A 83 8.206 -8.566 -10.021 1.00 0.00 C ATOM 1248 CG PRO A 83 6.795 -8.951 -10.321 1.00 0.00 C ATOM 1249 CD PRO A 83 6.243 -9.611 -9.060 1.00 0.00 C ATOM 0 HA PRO A 83 9.175 -8.741 -8.050 1.00 0.00 H new ATOM 0 HB2 PRO A 83 8.487 -7.662 -10.560 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.899 -9.349 -10.329 1.00 0.00 H new ATOM 0 HG2 PRO A 83 6.204 -8.076 -10.590 1.00 0.00 H new ATOM 0 HG3 PRO A 83 6.752 -9.637 -11.167 1.00 0.00 H new ATOM 0 HD2 PRO A 83 5.182 -9.399 -8.929 1.00 0.00 H new ATOM 0 HD3 PRO A 83 6.349 -10.695 -9.096 1.00 0.00 H new ATOM 1257 N VAL A 84 9.425 -6.256 -8.041 1.00 0.00 N ATOM 1258 CA VAL A 84 9.489 -4.800 -7.723 1.00 0.00 C ATOM 1259 C VAL A 84 10.387 -4.089 -8.738 1.00 0.00 C ATOM 1260 O VAL A 84 11.428 -4.587 -9.118 1.00 0.00 O ATOM 1261 CB VAL A 84 10.070 -4.613 -6.320 1.00 0.00 C ATOM 1262 CG1 VAL A 84 11.516 -5.115 -6.295 1.00 0.00 C ATOM 1263 CG2 VAL A 84 10.041 -3.130 -5.949 1.00 0.00 C ATOM 0 H VAL A 84 10.329 -6.720 -8.131 1.00 0.00 H new ATOM 0 HA VAL A 84 8.485 -4.377 -7.767 1.00 0.00 H new ATOM 0 HB VAL A 84 9.475 -5.179 -5.603 1.00 0.00 H new ATOM 0 HG11 VAL A 84 11.930 -4.982 -5.296 1.00 0.00 H new ATOM 0 HG12 VAL A 84 11.539 -6.172 -6.559 1.00 0.00 H new ATOM 0 HG13 VAL A 84 12.110 -4.549 -7.012 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.455 -2.997 -4.949 1.00 0.00 H new ATOM 0 HG22 VAL A 84 10.635 -2.564 -6.666 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.012 -2.771 -5.966 1.00 0.00 H new ATOM 1273 N GLU A 85 9.988 -2.922 -9.171 1.00 0.00 N ATOM 1274 CA GLU A 85 10.807 -2.160 -10.153 1.00 0.00 C ATOM 1275 C GLU A 85 11.268 -0.851 -9.510 1.00 0.00 C ATOM 1276 O GLU A 85 10.537 -0.224 -8.769 1.00 0.00 O ATOM 1277 CB GLU A 85 9.962 -1.851 -11.391 1.00 0.00 C ATOM 1278 CG GLU A 85 10.840 -1.194 -12.458 1.00 0.00 C ATOM 1279 CD GLU A 85 9.977 -0.793 -13.655 1.00 0.00 C ATOM 1280 OE1 GLU A 85 10.528 -0.273 -14.611 1.00 0.00 O ATOM 1281 OE2 GLU A 85 8.777 -1.010 -13.595 1.00 0.00 O ATOM 0 H GLU A 85 9.124 -2.463 -8.883 1.00 0.00 H new ATOM 0 HA GLU A 85 11.674 -2.751 -10.447 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.522 -2.768 -11.782 1.00 0.00 H new ATOM 0 HB3 GLU A 85 9.137 -1.189 -11.126 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.337 -0.316 -12.045 1.00 0.00 H new ATOM 0 HG3 GLU A 85 11.622 -1.884 -12.775 1.00 0.00 H new ATOM 1288 N ALA A 86 12.473 -0.432 -9.781 1.00 0.00 N ATOM 1289 CA ALA A 86 12.964 0.837 -9.175 1.00 0.00 C ATOM 1290 C ALA A 86 12.055 1.989 -9.608 1.00 0.00 C ATOM 1291 O ALA A 86 11.661 2.083 -10.753 1.00 0.00 O ATOM 1292 CB ALA A 86 14.394 1.109 -9.648 1.00 0.00 C ATOM 0 H ALA A 86 13.135 -0.910 -10.392 1.00 0.00 H new ATOM 0 HA ALA A 86 12.953 0.751 -8.088 1.00 0.00 H new ATOM 0 HB1 ALA A 86 14.753 2.038 -9.205 1.00 0.00 H new ATOM 0 HB2 ALA A 86 15.041 0.287 -9.342 1.00 0.00 H new ATOM 0 HB3 ALA A 86 14.407 1.197 -10.734 1.00 0.00 H new ATOM 1298 N LYS A 87 11.719 2.864 -8.701 1.00 0.00 N ATOM 1299 CA LYS A 87 10.835 4.008 -9.062 1.00 0.00 C ATOM 1300 C LYS A 87 11.504 4.845 -10.154 1.00 0.00 C ATOM 1301 O LYS A 87 10.851 5.388 -11.022 1.00 0.00 O ATOM 1302 CB LYS A 87 10.591 4.877 -7.827 1.00 0.00 C ATOM 1303 CG LYS A 87 9.819 4.070 -6.779 1.00 0.00 C ATOM 1304 CD LYS A 87 9.469 4.972 -5.594 1.00 0.00 C ATOM 1305 CE LYS A 87 8.797 4.141 -4.500 1.00 0.00 C ATOM 1306 NZ LYS A 87 9.774 3.879 -3.405 1.00 0.00 N ATOM 0 H LYS A 87 12.018 2.837 -7.726 1.00 0.00 H new ATOM 0 HA LYS A 87 9.882 3.628 -9.430 1.00 0.00 H new ATOM 0 HB2 LYS A 87 11.541 5.215 -7.414 1.00 0.00 H new ATOM 0 HB3 LYS A 87 10.028 5.769 -8.102 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.910 3.660 -7.218 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.419 3.225 -6.441 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.371 5.444 -5.204 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.804 5.773 -5.917 1.00 0.00 H new ATOM 0 HE2 LYS A 87 7.928 4.670 -4.108 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.437 3.199 -4.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 9.263 3.609 -2.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 10.411 3.106 -3.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.331 4.738 -3.224 1.00 0.00 H new ATOM 1320 N LEU A 88 12.805 4.954 -10.117 1.00 0.00 N ATOM 1321 CA LEU A 88 13.515 5.755 -11.153 1.00 0.00 C ATOM 1322 C LEU A 88 13.176 5.208 -12.541 1.00 0.00 C ATOM 1323 O LEU A 88 13.022 5.950 -13.491 1.00 0.00 O ATOM 1324 CB LEU A 88 15.026 5.663 -10.922 1.00 0.00 C ATOM 1325 CG LEU A 88 15.755 6.577 -11.911 1.00 0.00 C ATOM 1326 CD1 LEU A 88 15.472 8.043 -11.570 1.00 0.00 C ATOM 1327 CD2 LEU A 88 17.261 6.318 -11.825 1.00 0.00 C ATOM 0 H LEU A 88 13.406 4.523 -9.414 1.00 0.00 H new ATOM 0 HA LEU A 88 13.200 6.797 -11.087 1.00 0.00 H new ATOM 0 HB2 LEU A 88 15.266 5.953 -9.899 1.00 0.00 H new ATOM 0 HB3 LEU A 88 15.361 4.633 -11.048 1.00 0.00 H new ATOM 0 HG LEU A 88 15.402 6.368 -12.921 1.00 0.00 H new ATOM 0 HD11 LEU A 88 15.993 8.688 -12.277 1.00 0.00 H new ATOM 0 HD12 LEU A 88 14.400 8.230 -11.630 1.00 0.00 H new ATOM 0 HD13 LEU A 88 15.821 8.255 -10.559 1.00 0.00 H new ATOM 0 HD21 LEU A 88 17.783 6.967 -12.528 1.00 0.00 H new ATOM 0 HD22 LEU A 88 17.609 6.525 -10.813 1.00 0.00 H new ATOM 0 HD23 LEU A 88 17.466 5.276 -12.073 1.00 0.00 H new ATOM 1339 N GLN A 89 13.059 3.914 -12.666 1.00 0.00 N ATOM 1340 CA GLN A 89 12.729 3.319 -13.992 1.00 0.00 C ATOM 1341 C GLN A 89 11.251 2.931 -14.023 1.00 0.00 C ATOM 1342 O GLN A 89 10.526 3.498 -14.825 1.00 0.00 O ATOM 1343 CB GLN A 89 13.589 2.074 -14.219 1.00 0.00 C ATOM 1344 CG GLN A 89 13.350 1.539 -15.632 1.00 0.00 C ATOM 1345 CD GLN A 89 14.234 0.314 -15.871 1.00 0.00 C ATOM 1346 OE1 GLN A 89 15.076 -0.011 -15.058 1.00 0.00 O ATOM 1347 NE2 GLN A 89 14.078 -0.387 -16.962 1.00 0.00 N ATOM 1348 OXT GLN A 89 10.866 2.073 -13.246 1.00 0.00 O ATOM 0 H GLN A 89 13.178 3.243 -11.907 1.00 0.00 H new ATOM 0 HA GLN A 89 12.929 4.047 -14.778 1.00 0.00 H new ATOM 0 HB2 GLN A 89 14.643 2.318 -14.084 1.00 0.00 H new ATOM 0 HB3 GLN A 89 13.342 1.309 -13.483 1.00 0.00 H new ATOM 0 HG2 GLN A 89 12.300 1.273 -15.759 1.00 0.00 H new ATOM 0 HG3 GLN A 89 13.574 2.312 -16.367 1.00 0.00 H new ATOM 0 HE21 GLN A 89 13.371 -0.116 -17.646 1.00 0.00 H new ATOM 0 HE22 GLN A 89 14.663 -1.206 -17.130 1.00 0.00 H new TER 1357 GLN A 89 HETATM 1358 O8 7V9 A 101 -6.993 -5.917 6.282 1.00 0.00 O HETATM 1359 P 7V9 A 101 -12.820 3.602 6.836 1.00 0.00 P HETATM 1360 C4 7V9 A 101 -9.134 -1.095 8.573 1.00 0.00 C HETATM 1361 C2 7V9 A 101 -10.699 0.856 8.464 1.00 0.00 C HETATM 1362 O1P 7V9 A 101 -13.094 2.650 5.735 1.00 0.00 O HETATM 1363 O2P 7V9 A 101 -13.931 4.376 7.433 1.00 0.00 O HETATM 1364 O3P 7V9 A 101 -12.077 2.797 8.019 1.00 0.00 O HETATM 1365 C1 7V9 A 101 -11.641 1.547 7.475 1.00 0.00 C HETATM 1366 CE1 7V9 A 101 -11.333 0.859 9.857 1.00 0.00 C HETATM 1367 CE2 7V9 A 101 -9.366 1.605 8.510 1.00 0.00 C HETATM 1368 C3 7V9 A 101 -10.463 -0.586 8.013 1.00 0.00 C HETATM 1369 O3 7V9 A 101 -11.520 -1.407 8.494 1.00 0.00 O HETATM 1370 O4 7V9 A 101 -8.801 -0.860 9.718 1.00 0.00 O HETATM 1371 N5 7V9 A 101 -8.411 -1.865 7.804 1.00 0.00 N HETATM 1372 C6 7V9 A 101 -8.912 -3.217 7.426 1.00 0.00 C HETATM 1373 C7 7V9 A 101 -7.862 -4.270 7.790 1.00 0.00 C HETATM 1374 C8 7V9 A 101 -7.144 -4.736 6.522 1.00 0.00 C HETATM 1375 N9 7V9 A 101 -6.779 -3.819 5.668 1.00 0.00 N HETATM 1376 C10 7V9 A 101 -6.576 -4.175 4.235 1.00 0.00 C HETATM 1377 C11 7V9 A 101 -5.188 -4.793 4.055 1.00 0.00 C HETATM 1378 S12 7V9 A 101 -4.492 -4.264 2.470 1.00 0.00 S HETATM 1379 C13 7V9 A 101 -3.610 -5.798 2.087 1.00 0.00 C HETATM 1380 O13 7V9 A 101 -3.186 -6.496 2.987 1.00 0.00 O HETATM 1381 C14 7V9 A 101 -2.726 -5.261 1.143 1.00 0.00 C HETATM 1382 C15 7V9 A 101 -1.393 -5.011 1.492 1.00 0.00 C HETATM 1383 N16 7V9 A 101 -0.576 -4.371 0.641 1.00 0.00 N HETATM 1384 C17 7V9 A 101 -1.005 -3.955 -0.560 1.00 0.00 C HETATM 1385 C18 7V9 A 101 -2.328 -4.179 -0.960 1.00 0.00 C HETATM 1386 C19 7V9 A 101 -3.200 -4.839 -0.096 1.00 0.00 C