USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 922 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 98 LYS NZ :NH3+ 180:sc= -1.05 (180deg=-1.31) USER MOD Set 1.2: A 100 TYR OH : rot 180:sc= 0.263 USER MOD Set 2.1: A 55 ASN : amide:sc= -0.889 K(o=-1.8,f=-4.9!) USER MOD Set 2.2: A 59 TYR OH : rot 150:sc= -0.864 USER MOD Set 3.1: A 43 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 45 ASN : amide:sc= -1.01 K(o=-1,f=-2.4) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -108:sc= 0 (180deg=-0.0549) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00885) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 88:sc= -1.72 USER MOD Single : A 68 ASN : amide:sc= -1.77 K(o=-1.8,f=-3.2!) USER MOD Single : A 70 LYS NZ :NH3+ -117:sc= 0 (180deg=-0.144) USER MOD Single : A 76 LYS NZ :NH3+ 174:sc= -0.404 (180deg=-0.556) USER MOD Single : A 81 LYS NZ :NH3+ -115:sc= 0.0998 (180deg=-0.183) USER MOD Single : A 86 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 87 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.0827) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HD1:sc= -0.0581 K(o=-0.058,f=-0.94) USER MOD Single : A 102 SER OG : rot 134:sc= 1.35 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl -172:sc= -1.74 (180deg=-2.1) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 GLN : amide:sc= -2.27 X(o=-2.3,f=-2.1) USER MOD Single : A 119 ASN : amide:sc= -0.0521 X(o=-0.052,f=0) USER MOD Single : A 121 LYS NZ :NH3+ -106:sc= 0 (180deg=-0.0448) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 94 N ILE A 6 119.931 13.746 6.693 1.00 0.00 N ATOM 95 CA ILE A 6 120.071 13.628 5.206 1.00 0.00 C ATOM 96 C ILE A 6 121.330 12.815 4.878 1.00 0.00 C ATOM 97 O ILE A 6 122.393 13.078 5.412 1.00 0.00 O ATOM 98 CB ILE A 6 120.184 15.072 4.674 1.00 0.00 C ATOM 99 CG1 ILE A 6 118.970 15.930 5.094 1.00 0.00 C ATOM 100 CG2 ILE A 6 120.298 15.076 3.142 1.00 0.00 C ATOM 101 CD1 ILE A 6 117.642 15.342 4.590 1.00 0.00 C ATOM 0 HA ILE A 6 119.225 13.116 4.747 1.00 0.00 H new ATOM 0 HB ILE A 6 121.084 15.505 5.110 1.00 0.00 H new ATOM 0 HG12 ILE A 6 118.941 16.009 6.181 1.00 0.00 H new ATOM 0 HG13 ILE A 6 119.089 16.941 4.704 1.00 0.00 H new ATOM 0 HG21 ILE A 6 120.377 16.103 2.786 1.00 0.00 H new ATOM 0 HG22 ILE A 6 121.185 14.519 2.842 1.00 0.00 H new ATOM 0 HG23 ILE A 6 119.413 14.609 2.710 1.00 0.00 H new ATOM 0 HD11 ILE A 6 116.817 15.979 4.910 1.00 0.00 H new ATOM 0 HD12 ILE A 6 117.658 15.288 3.501 1.00 0.00 H new ATOM 0 HD13 ILE A 6 117.508 14.341 5.001 1.00 0.00 H new ATOM 113 N ILE A 7 121.204 11.838 4.008 1.00 0.00 N ATOM 114 CA ILE A 7 122.391 11.040 3.558 1.00 0.00 C ATOM 115 C ILE A 7 122.403 10.995 2.024 1.00 0.00 C ATOM 116 O ILE A 7 121.358 11.016 1.399 1.00 0.00 O ATOM 117 CB ILE A 7 122.218 9.632 4.163 1.00 0.00 C ATOM 118 CG1 ILE A 7 122.148 9.711 5.695 1.00 0.00 C ATOM 119 CG2 ILE A 7 123.412 8.744 3.786 1.00 0.00 C ATOM 120 CD1 ILE A 7 121.630 8.384 6.256 1.00 0.00 C ATOM 0 H ILE A 7 120.319 11.557 3.586 1.00 0.00 H new ATOM 0 HA ILE A 7 123.337 11.473 3.882 1.00 0.00 H new ATOM 0 HB ILE A 7 121.294 9.210 3.769 1.00 0.00 H new ATOM 0 HG12 ILE A 7 123.135 9.929 6.103 1.00 0.00 H new ATOM 0 HG13 ILE A 7 121.491 10.526 5.997 1.00 0.00 H new ATOM 0 HG21 ILE A 7 123.279 7.752 4.219 1.00 0.00 H new ATOM 0 HG22 ILE A 7 123.475 8.661 2.701 1.00 0.00 H new ATOM 0 HG23 ILE A 7 124.331 9.187 4.170 1.00 0.00 H new ATOM 0 HD11 ILE A 7 121.581 8.443 7.343 1.00 0.00 H new ATOM 0 HD12 ILE A 7 120.635 8.185 5.859 1.00 0.00 H new ATOM 0 HD13 ILE A 7 122.305 7.578 5.966 1.00 0.00 H new ATOM 132 N GLU A 8 123.574 10.936 1.431 1.00 0.00 N ATOM 133 CA GLU A 8 123.687 10.910 -0.061 1.00 0.00 C ATOM 134 C GLU A 8 124.086 9.511 -0.544 1.00 0.00 C ATOM 135 O GLU A 8 124.878 8.840 0.094 1.00 0.00 O ATOM 136 CB GLU A 8 124.784 11.923 -0.395 1.00 0.00 C ATOM 137 CG GLU A 8 124.298 13.336 -0.061 1.00 0.00 C ATOM 138 CD GLU A 8 125.347 14.360 -0.499 1.00 0.00 C ATOM 139 OE1 GLU A 8 126.521 14.123 -0.258 1.00 0.00 O ATOM 140 OE2 GLU A 8 124.961 15.368 -1.070 1.00 0.00 O ATOM 0 H GLU A 8 124.466 10.904 1.925 1.00 0.00 H new ATOM 0 HA GLU A 8 122.742 11.154 -0.547 1.00 0.00 H new ATOM 0 HB2 GLU A 8 125.688 11.695 0.171 1.00 0.00 H new ATOM 0 HB3 GLU A 8 125.044 11.857 -1.451 1.00 0.00 H new ATOM 0 HG2 GLU A 8 123.351 13.533 -0.564 1.00 0.00 H new ATOM 0 HG3 GLU A 8 124.115 13.424 1.010 1.00 0.00 H new ATOM 147 N GLY A 9 123.538 9.081 -1.659 1.00 0.00 N ATOM 148 CA GLY A 9 123.898 7.751 -2.240 1.00 0.00 C ATOM 149 C GLY A 9 124.082 7.885 -3.753 1.00 0.00 C ATOM 150 O GLY A 9 123.473 8.737 -4.375 1.00 0.00 O ATOM 0 H GLY A 9 122.847 9.605 -2.196 1.00 0.00 H new ATOM 0 HA2 GLY A 9 124.815 7.380 -1.783 1.00 0.00 H new ATOM 0 HA3 GLY A 9 123.116 7.024 -2.022 1.00 0.00 H new ATOM 154 N GLU A 10 124.913 7.048 -4.335 1.00 0.00 N ATOM 155 CA GLU A 10 125.172 7.112 -5.808 1.00 0.00 C ATOM 156 C GLU A 10 124.475 5.949 -6.520 1.00 0.00 C ATOM 157 O GLU A 10 124.420 4.849 -6.000 1.00 0.00 O ATOM 158 CB GLU A 10 126.689 6.999 -5.960 1.00 0.00 C ATOM 159 CG GLU A 10 127.082 7.317 -7.404 1.00 0.00 C ATOM 160 CD GLU A 10 128.583 7.086 -7.588 1.00 0.00 C ATOM 161 OE1 GLU A 10 129.352 7.772 -6.935 1.00 0.00 O ATOM 162 OE2 GLU A 10 128.937 6.228 -8.379 1.00 0.00 O ATOM 0 H GLU A 10 125.427 6.316 -3.844 1.00 0.00 H new ATOM 0 HA GLU A 10 124.789 8.032 -6.249 1.00 0.00 H new ATOM 0 HB2 GLU A 10 127.186 7.688 -5.277 1.00 0.00 H new ATOM 0 HB3 GLU A 10 127.018 5.994 -5.695 1.00 0.00 H new ATOM 0 HG2 GLU A 10 126.519 6.686 -8.092 1.00 0.00 H new ATOM 0 HG3 GLU A 10 126.831 8.351 -7.641 1.00 0.00 H new ATOM 169 N VAL A 11 123.950 6.196 -7.700 1.00 0.00 N ATOM 170 CA VAL A 11 123.243 5.127 -8.487 1.00 0.00 C ATOM 171 C VAL A 11 124.244 4.028 -8.873 1.00 0.00 C ATOM 172 O VAL A 11 125.256 4.310 -9.490 1.00 0.00 O ATOM 173 CB VAL A 11 122.675 5.810 -9.752 1.00 0.00 C ATOM 174 CG1 VAL A 11 121.902 4.800 -10.613 1.00 0.00 C ATOM 175 CG2 VAL A 11 121.717 6.950 -9.374 1.00 0.00 C ATOM 0 H VAL A 11 123.982 7.107 -8.159 1.00 0.00 H new ATOM 0 HA VAL A 11 122.444 4.664 -7.908 1.00 0.00 H new ATOM 0 HB VAL A 11 123.521 6.208 -10.313 1.00 0.00 H new ATOM 0 HG11 VAL A 11 121.510 5.301 -11.498 1.00 0.00 H new ATOM 0 HG12 VAL A 11 122.570 3.995 -10.918 1.00 0.00 H new ATOM 0 HG13 VAL A 11 121.076 4.386 -10.035 1.00 0.00 H new ATOM 0 HG21 VAL A 11 121.330 7.416 -10.280 1.00 0.00 H new ATOM 0 HG22 VAL A 11 120.889 6.550 -8.789 1.00 0.00 H new ATOM 0 HG23 VAL A 11 122.252 7.694 -8.784 1.00 0.00 H new ATOM 185 N VAL A 12 123.961 2.797 -8.516 1.00 0.00 N ATOM 186 CA VAL A 12 124.833 1.648 -8.920 1.00 0.00 C ATOM 187 C VAL A 12 124.005 0.599 -9.674 1.00 0.00 C ATOM 188 O VAL A 12 122.801 0.526 -9.506 1.00 0.00 O ATOM 189 CB VAL A 12 125.422 1.064 -7.623 1.00 0.00 C ATOM 190 CG1 VAL A 12 126.315 2.109 -6.951 1.00 0.00 C ATOM 191 CG2 VAL A 12 124.318 0.643 -6.643 1.00 0.00 C ATOM 0 H VAL A 12 123.151 2.537 -7.954 1.00 0.00 H new ATOM 0 HA VAL A 12 125.631 1.967 -9.590 1.00 0.00 H new ATOM 0 HB VAL A 12 126.003 0.180 -7.887 1.00 0.00 H new ATOM 0 HG11 VAL A 12 126.732 1.695 -6.033 1.00 0.00 H new ATOM 0 HG12 VAL A 12 127.126 2.383 -7.626 1.00 0.00 H new ATOM 0 HG13 VAL A 12 125.725 2.994 -6.715 1.00 0.00 H new ATOM 0 HG21 VAL A 12 124.770 0.235 -5.739 1.00 0.00 H new ATOM 0 HG22 VAL A 12 123.710 1.510 -6.385 1.00 0.00 H new ATOM 0 HG23 VAL A 12 123.689 -0.116 -7.108 1.00 0.00 H new ATOM 201 N SER A 13 124.651 -0.200 -10.493 1.00 0.00 N ATOM 202 CA SER A 13 123.918 -1.204 -11.330 1.00 0.00 C ATOM 203 C SER A 13 123.693 -2.496 -10.539 1.00 0.00 C ATOM 204 O SER A 13 124.612 -3.018 -9.931 1.00 0.00 O ATOM 205 CB SER A 13 124.817 -1.473 -12.541 1.00 0.00 C ATOM 206 OG SER A 13 124.137 -2.330 -13.448 1.00 0.00 O ATOM 0 H SER A 13 125.663 -0.199 -10.618 1.00 0.00 H new ATOM 0 HA SER A 13 122.937 -0.835 -11.630 1.00 0.00 H new ATOM 0 HB2 SER A 13 125.075 -0.535 -13.033 1.00 0.00 H new ATOM 0 HB3 SER A 13 125.752 -1.932 -12.220 1.00 0.00 H new ATOM 0 HG SER A 13 124.708 -2.503 -14.225 1.00 0.00 H new ATOM 486 N PHE A 31 102.816 -4.715 1.179 1.00 0.00 N ATOM 487 CA PHE A 31 103.576 -3.444 0.919 1.00 0.00 C ATOM 488 C PHE A 31 102.615 -2.249 0.876 1.00 0.00 C ATOM 489 O PHE A 31 102.923 -1.194 1.398 1.00 0.00 O ATOM 490 CB PHE A 31 104.286 -3.625 -0.433 1.00 0.00 C ATOM 491 CG PHE A 31 105.674 -4.223 -0.339 1.00 0.00 C ATOM 492 CD1 PHE A 31 106.597 -3.771 0.659 1.00 0.00 C ATOM 493 CD2 PHE A 31 106.070 -5.243 -1.261 1.00 0.00 C ATOM 494 CE1 PHE A 31 107.906 -4.339 0.735 1.00 0.00 C ATOM 495 CE2 PHE A 31 107.380 -5.810 -1.183 1.00 0.00 C ATOM 496 CZ PHE A 31 108.298 -5.358 -0.185 1.00 0.00 C ATOM 0 HA PHE A 31 104.299 -3.246 1.711 1.00 0.00 H new ATOM 0 HB2 PHE A 31 103.672 -4.263 -1.069 1.00 0.00 H new ATOM 0 HB3 PHE A 31 104.355 -2.655 -0.926 1.00 0.00 H new ATOM 0 HD1 PHE A 31 106.303 -3.000 1.355 1.00 0.00 H new ATOM 0 HD2 PHE A 31 105.378 -5.585 -2.017 1.00 0.00 H new ATOM 0 HE1 PHE A 31 108.599 -3.997 1.489 1.00 0.00 H new ATOM 0 HE2 PHE A 31 107.676 -6.581 -1.879 1.00 0.00 H new ATOM 0 HZ PHE A 31 109.287 -5.787 -0.127 1.00 0.00 H new ATOM 506 N LYS A 32 101.465 -2.416 0.261 1.00 0.00 N ATOM 507 CA LYS A 32 100.435 -1.322 0.230 1.00 0.00 C ATOM 508 C LYS A 32 99.919 -1.021 1.642 1.00 0.00 C ATOM 509 O LYS A 32 99.559 0.104 1.938 1.00 0.00 O ATOM 510 CB LYS A 32 99.292 -1.830 -0.656 1.00 0.00 C ATOM 511 CG LYS A 32 98.330 -0.680 -0.963 1.00 0.00 C ATOM 512 CD LYS A 32 97.153 -1.205 -1.789 1.00 0.00 C ATOM 513 CE LYS A 32 96.271 -0.034 -2.223 1.00 0.00 C ATOM 514 NZ LYS A 32 95.420 0.267 -1.037 1.00 0.00 N ATOM 0 H LYS A 32 101.193 -3.271 -0.225 1.00 0.00 H new ATOM 0 HA LYS A 32 100.860 -0.397 -0.160 1.00 0.00 H new ATOM 0 HB2 LYS A 32 99.692 -2.240 -1.583 1.00 0.00 H new ATOM 0 HB3 LYS A 32 98.760 -2.638 -0.153 1.00 0.00 H new ATOM 0 HG2 LYS A 32 97.968 -0.237 -0.035 1.00 0.00 H new ATOM 0 HG3 LYS A 32 98.850 0.107 -1.510 1.00 0.00 H new ATOM 0 HD2 LYS A 32 97.520 -1.741 -2.664 1.00 0.00 H new ATOM 0 HD3 LYS A 32 96.570 -1.914 -1.201 1.00 0.00 H new ATOM 0 HE2 LYS A 32 96.873 0.830 -2.507 1.00 0.00 H new ATOM 0 HE3 LYS A 32 95.663 -0.297 -3.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 94.444 -0.039 -1.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 95.789 -0.240 -0.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 95.433 1.290 -0.851 1.00 0.00 H new ATOM 528 N LYS A 33 99.878 -2.017 2.498 1.00 0.00 N ATOM 529 CA LYS A 33 99.451 -1.792 3.919 1.00 0.00 C ATOM 530 C LYS A 33 100.488 -0.947 4.668 1.00 0.00 C ATOM 531 O LYS A 33 100.129 -0.078 5.442 1.00 0.00 O ATOM 532 CB LYS A 33 99.326 -3.180 4.559 1.00 0.00 C ATOM 533 CG LYS A 33 98.643 -3.057 5.923 1.00 0.00 C ATOM 534 CD LYS A 33 98.582 -4.433 6.589 1.00 0.00 C ATOM 535 CE LYS A 33 97.774 -4.339 7.884 1.00 0.00 C ATOM 536 NZ LYS A 33 97.910 -5.678 8.522 1.00 0.00 N ATOM 0 H LYS A 33 100.123 -2.981 2.272 1.00 0.00 H new ATOM 0 HA LYS A 33 98.506 -1.251 3.963 1.00 0.00 H new ATOM 0 HB2 LYS A 33 98.750 -3.840 3.911 1.00 0.00 H new ATOM 0 HB3 LYS A 33 100.313 -3.629 4.674 1.00 0.00 H new ATOM 0 HG2 LYS A 33 99.192 -2.359 6.555 1.00 0.00 H new ATOM 0 HG3 LYS A 33 97.637 -2.654 5.803 1.00 0.00 H new ATOM 0 HD2 LYS A 33 98.123 -5.155 5.914 1.00 0.00 H new ATOM 0 HD3 LYS A 33 99.589 -4.790 6.802 1.00 0.00 H new ATOM 0 HE2 LYS A 33 98.159 -3.552 8.533 1.00 0.00 H new ATOM 0 HE3 LYS A 33 96.729 -4.103 7.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 97.381 -5.691 9.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 97.530 -6.406 7.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 98.914 -5.873 8.710 1.00 0.00 H new ATOM 550 N ILE A 34 101.758 -1.198 4.438 1.00 0.00 N ATOM 551 CA ILE A 34 102.838 -0.484 5.199 1.00 0.00 C ATOM 552 C ILE A 34 103.072 0.902 4.581 1.00 0.00 C ATOM 553 O ILE A 34 103.321 1.859 5.294 1.00 0.00 O ATOM 554 CB ILE A 34 104.107 -1.357 5.101 1.00 0.00 C ATOM 555 CG1 ILE A 34 103.841 -2.765 5.649 1.00 0.00 C ATOM 556 CG2 ILE A 34 105.245 -0.734 5.921 1.00 0.00 C ATOM 557 CD1 ILE A 34 104.955 -3.704 5.183 1.00 0.00 C ATOM 0 H ILE A 34 102.095 -1.872 3.751 1.00 0.00 H new ATOM 0 HA ILE A 34 102.564 -0.335 6.243 1.00 0.00 H new ATOM 0 HB ILE A 34 104.387 -1.416 4.049 1.00 0.00 H new ATOM 0 HG12 ILE A 34 103.799 -2.743 6.738 1.00 0.00 H new ATOM 0 HG13 ILE A 34 102.874 -3.127 5.300 1.00 0.00 H new ATOM 0 HG21 ILE A 34 106.134 -1.360 5.843 1.00 0.00 H new ATOM 0 HG22 ILE A 34 105.467 0.262 5.537 1.00 0.00 H new ATOM 0 HG23 ILE A 34 104.943 -0.661 6.966 1.00 0.00 H new ATOM 0 HD11 ILE A 34 104.771 -4.706 5.570 1.00 0.00 H new ATOM 0 HD12 ILE A 34 104.974 -3.733 4.094 1.00 0.00 H new ATOM 0 HD13 ILE A 34 105.914 -3.342 5.553 1.00 0.00 H new ATOM 569 N LEU A 35 102.993 1.005 3.274 1.00 0.00 N ATOM 570 CA LEU A 35 103.325 2.288 2.576 1.00 0.00 C ATOM 571 C LEU A 35 102.060 3.043 2.153 1.00 0.00 C ATOM 572 O LEU A 35 102.086 4.256 2.025 1.00 0.00 O ATOM 573 CB LEU A 35 104.110 1.876 1.328 1.00 0.00 C ATOM 574 CG LEU A 35 105.434 1.218 1.719 1.00 0.00 C ATOM 575 CD1 LEU A 35 106.011 0.492 0.501 1.00 0.00 C ATOM 576 CD2 LEU A 35 106.420 2.290 2.188 1.00 0.00 C ATOM 0 H LEU A 35 102.709 0.245 2.655 1.00 0.00 H new ATOM 0 HA LEU A 35 103.886 2.953 3.233 1.00 0.00 H new ATOM 0 HB2 LEU A 35 103.516 1.184 0.730 1.00 0.00 H new ATOM 0 HB3 LEU A 35 104.302 2.751 0.707 1.00 0.00 H new ATOM 0 HG LEU A 35 105.265 0.506 2.527 1.00 0.00 H new ATOM 0 HD11 LEU A 35 106.955 0.020 0.772 1.00 0.00 H new ATOM 0 HD12 LEU A 35 105.308 -0.270 0.165 1.00 0.00 H new ATOM 0 HD13 LEU A 35 106.181 1.208 -0.303 1.00 0.00 H new ATOM 0 HD21 LEU A 35 107.363 1.820 2.466 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.594 3.002 1.382 1.00 0.00 H new ATOM 0 HD23 LEU A 35 106.006 2.812 3.051 1.00 0.00 H new ATOM 588 N GLY A 36 100.968 2.343 1.940 1.00 0.00 N ATOM 589 CA GLY A 36 99.740 2.976 1.372 1.00 0.00 C ATOM 590 C GLY A 36 99.808 3.056 -0.162 1.00 0.00 C ATOM 591 O GLY A 36 99.021 3.773 -0.757 1.00 0.00 O ATOM 0 H GLY A 36 100.878 1.347 2.140 1.00 0.00 H new ATOM 0 HA2 GLY A 36 98.862 2.402 1.669 1.00 0.00 H new ATOM 0 HA3 GLY A 36 99.621 3.978 1.785 1.00 0.00 H new ATOM 595 N PHE A 37 100.718 2.348 -0.805 1.00 0.00 N ATOM 596 CA PHE A 37 100.691 2.235 -2.297 1.00 0.00 C ATOM 597 C PHE A 37 101.329 0.916 -2.751 1.00 0.00 C ATOM 598 O PHE A 37 102.067 0.297 -2.005 1.00 0.00 O ATOM 599 CB PHE A 37 101.473 3.448 -2.819 1.00 0.00 C ATOM 600 CG PHE A 37 102.943 3.478 -2.453 1.00 0.00 C ATOM 601 CD1 PHE A 37 103.862 2.602 -3.112 1.00 0.00 C ATOM 602 CD2 PHE A 37 103.417 4.395 -1.464 1.00 0.00 C ATOM 603 CE1 PHE A 37 105.251 2.640 -2.780 1.00 0.00 C ATOM 604 CE2 PHE A 37 104.806 4.431 -1.130 1.00 0.00 C ATOM 605 CZ PHE A 37 105.723 3.554 -1.788 1.00 0.00 C ATOM 0 H PHE A 37 101.480 1.843 -0.352 1.00 0.00 H new ATOM 0 HA PHE A 37 99.673 2.229 -2.686 1.00 0.00 H new ATOM 0 HB2 PHE A 37 101.385 3.476 -3.905 1.00 0.00 H new ATOM 0 HB3 PHE A 37 101.002 4.354 -2.438 1.00 0.00 H new ATOM 0 HD1 PHE A 37 103.505 1.911 -3.861 1.00 0.00 H new ATOM 0 HD2 PHE A 37 102.725 5.061 -0.969 1.00 0.00 H new ATOM 0 HE1 PHE A 37 105.944 1.978 -3.278 1.00 0.00 H new ATOM 0 HE2 PHE A 37 105.163 5.121 -0.380 1.00 0.00 H new ATOM 0 HZ PHE A 37 106.773 3.582 -1.535 1.00 0.00 H new ATOM 615 N GLU A 38 101.048 0.501 -3.965 1.00 0.00 N ATOM 616 CA GLU A 38 101.664 -0.744 -4.520 1.00 0.00 C ATOM 617 C GLU A 38 102.925 -0.385 -5.327 1.00 0.00 C ATOM 618 O GLU A 38 102.789 0.163 -6.406 1.00 0.00 O ATOM 619 CB GLU A 38 100.599 -1.350 -5.437 1.00 0.00 C ATOM 620 CG GLU A 38 99.603 -2.156 -4.602 1.00 0.00 C ATOM 621 CD GLU A 38 98.431 -2.591 -5.484 1.00 0.00 C ATOM 622 OE1 GLU A 38 98.679 -3.235 -6.489 1.00 0.00 O ATOM 623 OE2 GLU A 38 97.305 -2.272 -5.138 1.00 0.00 O ATOM 0 H GLU A 38 100.410 0.979 -4.601 1.00 0.00 H new ATOM 0 HA GLU A 38 101.964 -1.441 -3.737 1.00 0.00 H new ATOM 0 HB2 GLU A 38 100.079 -0.560 -5.979 1.00 0.00 H new ATOM 0 HB3 GLU A 38 101.069 -1.992 -6.182 1.00 0.00 H new ATOM 0 HG2 GLU A 38 100.094 -3.030 -4.175 1.00 0.00 H new ATOM 0 HG3 GLU A 38 99.241 -1.555 -3.768 1.00 0.00 H new ATOM 630 N PRO A 39 104.106 -0.692 -4.810 1.00 0.00 N ATOM 631 CA PRO A 39 105.368 -0.300 -5.513 1.00 0.00 C ATOM 632 C PRO A 39 105.513 -1.077 -6.828 1.00 0.00 C ATOM 633 O PRO A 39 104.960 -2.153 -6.973 1.00 0.00 O ATOM 634 CB PRO A 39 106.461 -0.693 -4.520 1.00 0.00 C ATOM 635 CG PRO A 39 105.852 -1.816 -3.760 1.00 0.00 C ATOM 636 CD PRO A 39 104.420 -1.417 -3.559 1.00 0.00 C ATOM 0 HA PRO A 39 105.402 0.755 -5.783 1.00 0.00 H new ATOM 0 HB2 PRO A 39 107.374 -1.002 -5.029 1.00 0.00 H new ATOM 0 HB3 PRO A 39 106.726 0.137 -3.866 1.00 0.00 H new ATOM 0 HG2 PRO A 39 105.927 -2.753 -4.312 1.00 0.00 H new ATOM 0 HG3 PRO A 39 106.357 -1.967 -2.806 1.00 0.00 H new ATOM 0 HD2 PRO A 39 103.774 -2.284 -3.420 1.00 0.00 H new ATOM 0 HD3 PRO A 39 104.296 -0.783 -2.681 1.00 0.00 H new ATOM 644 N TYR A 40 106.250 -0.531 -7.769 1.00 0.00 N ATOM 645 CA TYR A 40 106.432 -1.208 -9.096 1.00 0.00 C ATOM 646 C TYR A 40 107.374 -2.404 -8.946 1.00 0.00 C ATOM 647 O TYR A 40 108.079 -2.515 -7.956 1.00 0.00 O ATOM 648 CB TYR A 40 107.057 -0.164 -10.028 1.00 0.00 C ATOM 649 CG TYR A 40 107.190 -0.636 -11.456 1.00 0.00 C ATOM 650 CD1 TYR A 40 106.127 -0.411 -12.386 1.00 0.00 C ATOM 651 CD2 TYR A 40 108.378 -1.306 -11.879 1.00 0.00 C ATOM 652 CE1 TYR A 40 106.254 -0.857 -13.738 1.00 0.00 C ATOM 653 CE2 TYR A 40 108.505 -1.753 -13.231 1.00 0.00 C ATOM 654 CZ TYR A 40 107.443 -1.528 -14.160 1.00 0.00 C ATOM 655 OH TYR A 40 107.566 -1.959 -15.465 1.00 0.00 O ATOM 0 H TYR A 40 106.736 0.360 -7.674 1.00 0.00 H new ATOM 0 HA TYR A 40 105.484 -1.576 -9.489 1.00 0.00 H new ATOM 0 HB2 TYR A 40 106.449 0.740 -10.008 1.00 0.00 H new ATOM 0 HB3 TYR A 40 108.043 0.106 -9.649 1.00 0.00 H new ATOM 0 HD1 TYR A 40 105.228 0.096 -12.067 1.00 0.00 H new ATOM 0 HD2 TYR A 40 109.181 -1.475 -11.177 1.00 0.00 H new ATOM 0 HE1 TYR A 40 105.452 -0.687 -14.440 1.00 0.00 H new ATOM 0 HE2 TYR A 40 109.403 -2.261 -13.550 1.00 0.00 H new ATOM 0 HH TYR A 40 108.436 -2.394 -15.585 1.00 0.00 H new ATOM 665 N GLU A 41 107.391 -3.286 -9.922 1.00 0.00 N ATOM 666 CA GLU A 41 108.303 -4.473 -9.858 1.00 0.00 C ATOM 667 C GLU A 41 109.722 -4.058 -10.277 1.00 0.00 C ATOM 668 O GLU A 41 110.146 -4.281 -11.399 1.00 0.00 O ATOM 669 CB GLU A 41 107.717 -5.501 -10.836 1.00 0.00 C ATOM 670 CG GLU A 41 106.362 -5.988 -10.317 1.00 0.00 C ATOM 671 CD GLU A 41 105.812 -7.064 -11.255 1.00 0.00 C ATOM 672 OE1 GLU A 41 106.103 -8.226 -11.026 1.00 0.00 O ATOM 673 OE2 GLU A 41 105.111 -6.706 -12.187 1.00 0.00 O ATOM 0 H GLU A 41 106.811 -3.233 -10.760 1.00 0.00 H new ATOM 0 HA GLU A 41 108.374 -4.888 -8.852 1.00 0.00 H new ATOM 0 HB2 GLU A 41 107.600 -5.054 -11.823 1.00 0.00 H new ATOM 0 HB3 GLU A 41 108.400 -6.343 -10.946 1.00 0.00 H new ATOM 0 HG2 GLU A 41 106.470 -6.390 -9.309 1.00 0.00 H new ATOM 0 HG3 GLU A 41 105.663 -5.154 -10.255 1.00 0.00 H new ATOM 680 N GLY A 42 110.445 -3.447 -9.364 1.00 0.00 N ATOM 681 CA GLY A 42 111.872 -3.081 -9.617 1.00 0.00 C ATOM 682 C GLY A 42 112.454 -2.419 -8.365 1.00 0.00 C ATOM 683 O GLY A 42 111.729 -2.131 -7.428 1.00 0.00 O ATOM 0 H GLY A 42 110.098 -3.184 -8.442 1.00 0.00 H new ATOM 0 HA2 GLY A 42 112.448 -3.970 -9.873 1.00 0.00 H new ATOM 0 HA3 GLY A 42 111.940 -2.402 -10.467 1.00 0.00 H new ATOM 687 N THR A 43 113.745 -2.183 -8.351 1.00 0.00 N ATOM 688 CA THR A 43 114.397 -1.516 -7.180 1.00 0.00 C ATOM 689 C THR A 43 115.425 -0.482 -7.644 1.00 0.00 C ATOM 690 O THR A 43 115.935 -0.557 -8.748 1.00 0.00 O ATOM 691 CB THR A 43 115.091 -2.628 -6.383 1.00 0.00 C ATOM 692 OG1 THR A 43 115.693 -3.567 -7.264 1.00 0.00 O ATOM 693 CG2 THR A 43 114.068 -3.336 -5.493 1.00 0.00 C ATOM 0 H THR A 43 114.381 -2.427 -9.110 1.00 0.00 H new ATOM 0 HA THR A 43 113.661 -0.987 -6.575 1.00 0.00 H new ATOM 0 HB THR A 43 115.869 -2.184 -5.762 1.00 0.00 H new ATOM 0 HG1 THR A 43 116.133 -4.270 -6.742 1.00 0.00 H new ATOM 0 HG21 THR A 43 114.563 -4.126 -4.927 1.00 0.00 H new ATOM 0 HG22 THR A 43 113.627 -2.617 -4.803 1.00 0.00 H new ATOM 0 HG23 THR A 43 113.285 -3.771 -6.114 1.00 0.00 H new ATOM 701 N LEU A 44 115.717 0.478 -6.797 1.00 0.00 N ATOM 702 CA LEU A 44 116.851 1.417 -7.043 1.00 0.00 C ATOM 703 C LEU A 44 117.963 1.115 -6.035 1.00 0.00 C ATOM 704 O LEU A 44 117.753 1.228 -4.840 1.00 0.00 O ATOM 705 CB LEU A 44 116.261 2.813 -6.814 1.00 0.00 C ATOM 706 CG LEU A 44 117.305 3.892 -7.119 1.00 0.00 C ATOM 707 CD1 LEU A 44 117.567 3.948 -8.625 1.00 0.00 C ATOM 708 CD2 LEU A 44 116.785 5.250 -6.644 1.00 0.00 C ATOM 0 H LEU A 44 115.206 0.650 -5.931 1.00 0.00 H new ATOM 0 HA LEU A 44 117.280 1.330 -8.041 1.00 0.00 H new ATOM 0 HB2 LEU A 44 115.387 2.954 -7.450 1.00 0.00 H new ATOM 0 HB3 LEU A 44 115.923 2.907 -5.782 1.00 0.00 H new ATOM 0 HG LEU A 44 118.233 3.652 -6.600 1.00 0.00 H new ATOM 0 HD11 LEU A 44 118.310 4.717 -8.837 1.00 0.00 H new ATOM 0 HD12 LEU A 44 117.938 2.981 -8.966 1.00 0.00 H new ATOM 0 HD13 LEU A 44 116.640 4.186 -9.147 1.00 0.00 H new ATOM 0 HD21 LEU A 44 117.526 6.019 -6.860 1.00 0.00 H new ATOM 0 HD22 LEU A 44 115.856 5.486 -7.163 1.00 0.00 H new ATOM 0 HD23 LEU A 44 116.602 5.214 -5.570 1.00 0.00 H new ATOM 720 N ASN A 45 119.123 0.734 -6.513 1.00 0.00 N ATOM 721 CA ASN A 45 120.242 0.348 -5.600 1.00 0.00 C ATOM 722 C ASN A 45 121.214 1.518 -5.439 1.00 0.00 C ATOM 723 O ASN A 45 121.757 2.009 -6.413 1.00 0.00 O ATOM 724 CB ASN A 45 120.931 -0.830 -6.288 1.00 0.00 C ATOM 725 CG ASN A 45 120.086 -2.092 -6.116 1.00 0.00 C ATOM 726 OD1 ASN A 45 118.933 -2.123 -6.497 1.00 0.00 O ATOM 727 ND2 ASN A 45 120.616 -3.144 -5.554 1.00 0.00 N ATOM 0 H ASN A 45 119.343 0.674 -7.507 1.00 0.00 H new ATOM 0 HA ASN A 45 119.890 0.085 -4.603 1.00 0.00 H new ATOM 0 HB2 ASN A 45 121.069 -0.615 -7.348 1.00 0.00 H new ATOM 0 HB3 ASN A 45 121.922 -0.983 -5.862 1.00 0.00 H new ATOM 0 HD21 ASN A 45 120.062 -3.992 -5.435 1.00 0.00 H new ATOM 0 HD22 ASN A 45 121.584 -3.118 -5.234 1.00 0.00 H new ATOM 734 N LEU A 46 121.430 1.957 -4.219 1.00 0.00 N ATOM 735 CA LEU A 46 122.359 3.101 -3.960 1.00 0.00 C ATOM 736 C LEU A 46 123.507 2.665 -3.047 1.00 0.00 C ATOM 737 O LEU A 46 123.293 1.977 -2.064 1.00 0.00 O ATOM 738 CB LEU A 46 121.507 4.173 -3.278 1.00 0.00 C ATOM 739 CG LEU A 46 120.597 4.843 -4.312 1.00 0.00 C ATOM 740 CD1 LEU A 46 119.553 5.699 -3.594 1.00 0.00 C ATOM 741 CD2 LEU A 46 121.436 5.736 -5.230 1.00 0.00 C ATOM 0 H LEU A 46 120.996 1.565 -3.384 1.00 0.00 H new ATOM 0 HA LEU A 46 122.812 3.470 -4.880 1.00 0.00 H new ATOM 0 HB2 LEU A 46 120.906 3.725 -2.487 1.00 0.00 H new ATOM 0 HB3 LEU A 46 122.150 4.917 -2.808 1.00 0.00 H new ATOM 0 HG LEU A 46 120.098 4.076 -4.904 1.00 0.00 H new ATOM 0 HD11 LEU A 46 118.905 6.176 -4.330 1.00 0.00 H new ATOM 0 HD12 LEU A 46 118.954 5.068 -2.938 1.00 0.00 H new ATOM 0 HD13 LEU A 46 120.055 6.464 -3.002 1.00 0.00 H new ATOM 0 HD21 LEU A 46 120.788 6.212 -5.966 1.00 0.00 H new ATOM 0 HD22 LEU A 46 121.935 6.502 -4.636 1.00 0.00 H new ATOM 0 HD23 LEU A 46 122.183 5.130 -5.743 1.00 0.00 H new ATOM 753 N LYS A 47 124.712 3.068 -3.380 1.00 0.00 N ATOM 754 CA LYS A 47 125.887 2.819 -2.490 1.00 0.00 C ATOM 755 C LYS A 47 126.141 4.061 -1.630 1.00 0.00 C ATOM 756 O LYS A 47 126.150 5.167 -2.139 1.00 0.00 O ATOM 757 CB LYS A 47 127.061 2.564 -3.440 1.00 0.00 C ATOM 758 CG LYS A 47 128.293 2.128 -2.643 1.00 0.00 C ATOM 759 CD LYS A 47 129.502 2.052 -3.576 1.00 0.00 C ATOM 760 CE LYS A 47 130.702 1.485 -2.815 1.00 0.00 C ATOM 761 NZ LYS A 47 131.894 1.937 -3.585 1.00 0.00 N ATOM 0 H LYS A 47 124.931 3.565 -4.243 1.00 0.00 H new ATOM 0 HA LYS A 47 125.735 1.979 -1.812 1.00 0.00 H new ATOM 0 HB2 LYS A 47 126.794 1.793 -4.163 1.00 0.00 H new ATOM 0 HB3 LYS A 47 127.285 3.468 -4.006 1.00 0.00 H new ATOM 0 HG2 LYS A 47 128.486 2.835 -1.836 1.00 0.00 H new ATOM 0 HG3 LYS A 47 128.115 1.157 -2.180 1.00 0.00 H new ATOM 0 HD2 LYS A 47 129.272 1.422 -4.435 1.00 0.00 H new ATOM 0 HD3 LYS A 47 129.739 3.043 -3.962 1.00 0.00 H new ATOM 0 HE2 LYS A 47 130.730 1.855 -1.790 1.00 0.00 H new ATOM 0 HE3 LYS A 47 130.657 0.397 -2.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 132.758 1.587 -3.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 131.843 1.564 -4.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 131.914 2.976 -3.615 1.00 0.00 H new ATOM 775 N LEU A 48 126.344 3.873 -0.348 1.00 0.00 N ATOM 776 CA LEU A 48 126.525 5.025 0.587 1.00 0.00 C ATOM 777 C LEU A 48 127.957 5.060 1.122 1.00 0.00 C ATOM 778 O LEU A 48 128.659 4.064 1.080 1.00 0.00 O ATOM 779 CB LEU A 48 125.548 4.783 1.738 1.00 0.00 C ATOM 780 CG LEU A 48 124.105 4.855 1.233 1.00 0.00 C ATOM 781 CD1 LEU A 48 123.160 4.341 2.322 1.00 0.00 C ATOM 782 CD2 LEU A 48 123.750 6.306 0.901 1.00 0.00 C ATOM 0 H LEU A 48 126.392 2.956 0.095 1.00 0.00 H new ATOM 0 HA LEU A 48 126.340 5.975 0.087 1.00 0.00 H new ATOM 0 HB2 LEU A 48 125.736 3.807 2.185 1.00 0.00 H new ATOM 0 HB3 LEU A 48 125.705 5.526 2.520 1.00 0.00 H new ATOM 0 HG LEU A 48 124.004 4.241 0.338 1.00 0.00 H new ATOM 0 HD11 LEU A 48 122.131 4.391 1.965 1.00 0.00 H new ATOM 0 HD12 LEU A 48 123.410 3.308 2.563 1.00 0.00 H new ATOM 0 HD13 LEU A 48 123.264 4.957 3.215 1.00 0.00 H new ATOM 0 HD21 LEU A 48 122.722 6.356 0.541 1.00 0.00 H new ATOM 0 HD22 LEU A 48 123.852 6.919 1.796 1.00 0.00 H new ATOM 0 HD23 LEU A 48 124.423 6.678 0.128 1.00 0.00 H new ATOM 794 N ASP A 49 128.380 6.200 1.617 1.00 0.00 N ATOM 795 CA ASP A 49 129.704 6.297 2.314 1.00 0.00 C ATOM 796 C ASP A 49 129.581 6.009 3.823 1.00 0.00 C ATOM 797 O ASP A 49 130.508 6.280 4.566 1.00 0.00 O ATOM 798 CB ASP A 49 130.210 7.728 2.058 1.00 0.00 C ATOM 799 CG ASP A 49 129.252 8.780 2.635 1.00 0.00 C ATOM 800 OD1 ASP A 49 128.091 8.763 2.264 1.00 0.00 O ATOM 801 OD2 ASP A 49 129.701 9.584 3.437 1.00 0.00 O ATOM 0 H ASP A 49 127.859 7.076 1.567 1.00 0.00 H new ATOM 0 HA ASP A 49 130.401 5.552 1.931 1.00 0.00 H new ATOM 0 HB2 ASP A 49 131.197 7.850 2.504 1.00 0.00 H new ATOM 0 HB3 ASP A 49 130.323 7.888 0.986 1.00 0.00 H new ATOM 806 N ARG A 50 128.465 5.472 4.274 1.00 0.00 N ATOM 807 CA ARG A 50 128.261 5.203 5.731 1.00 0.00 C ATOM 808 C ARG A 50 127.434 3.925 5.902 1.00 0.00 C ATOM 809 O ARG A 50 126.513 3.683 5.143 1.00 0.00 O ATOM 810 CB ARG A 50 127.485 6.410 6.265 1.00 0.00 C ATOM 811 CG ARG A 50 128.352 7.669 6.192 1.00 0.00 C ATOM 812 CD ARG A 50 127.614 8.832 6.859 1.00 0.00 C ATOM 813 NE ARG A 50 128.469 10.032 6.598 1.00 0.00 N ATOM 814 CZ ARG A 50 129.556 10.301 7.296 1.00 0.00 C ATOM 815 NH1 ARG A 50 129.980 9.541 8.279 1.00 0.00 N ATOM 816 NH2 ARG A 50 130.240 11.370 6.995 1.00 0.00 N ATOM 0 H ARG A 50 127.679 5.207 3.681 1.00 0.00 H new ATOM 0 HA ARG A 50 129.203 5.065 6.262 1.00 0.00 H new ATOM 0 HB2 ARG A 50 126.574 6.552 5.683 1.00 0.00 H new ATOM 0 HB3 ARG A 50 127.180 6.229 7.296 1.00 0.00 H new ATOM 0 HG2 ARG A 50 129.307 7.496 6.689 1.00 0.00 H new ATOM 0 HG3 ARG A 50 128.573 7.912 5.153 1.00 0.00 H new ATOM 0 HD2 ARG A 50 126.616 8.959 6.439 1.00 0.00 H new ATOM 0 HD3 ARG A 50 127.490 8.660 7.928 1.00 0.00 H new ATOM 0 HE ARG A 50 128.200 10.669 5.848 1.00 0.00 H new ATOM 0 HH11 ARG A 50 129.462 8.700 8.533 1.00 0.00 H new ATOM 0 HH12 ARG A 50 130.827 9.792 8.789 1.00 0.00 H new ATOM 0 HH21 ARG A 50 129.931 11.976 6.235 1.00 0.00 H new ATOM 0 HH22 ARG A 50 131.084 11.600 7.520 1.00 0.00 H new ATOM 830 N GLU A 51 127.763 3.117 6.887 1.00 0.00 N ATOM 831 CA GLU A 51 126.986 1.856 7.147 1.00 0.00 C ATOM 832 C GLU A 51 125.546 2.190 7.553 1.00 0.00 C ATOM 833 O GLU A 51 125.306 3.198 8.194 1.00 0.00 O ATOM 834 CB GLU A 51 127.702 1.137 8.295 1.00 0.00 C ATOM 835 CG GLU A 51 129.097 0.703 7.838 1.00 0.00 C ATOM 836 CD GLU A 51 129.783 -0.088 8.955 1.00 0.00 C ATOM 837 OE1 GLU A 51 129.131 -0.934 9.545 1.00 0.00 O ATOM 838 OE2 GLU A 51 130.949 0.168 9.203 1.00 0.00 O ATOM 0 H GLU A 51 128.541 3.278 7.526 1.00 0.00 H new ATOM 0 HA GLU A 51 126.939 1.233 6.254 1.00 0.00 H new ATOM 0 HB2 GLU A 51 127.780 1.797 9.159 1.00 0.00 H new ATOM 0 HB3 GLU A 51 127.124 0.268 8.610 1.00 0.00 H new ATOM 0 HG2 GLU A 51 129.022 0.091 6.939 1.00 0.00 H new ATOM 0 HG3 GLU A 51 129.694 1.578 7.579 1.00 0.00 H new ATOM 845 N PHE A 52 124.606 1.350 7.183 1.00 0.00 N ATOM 846 CA PHE A 52 123.169 1.608 7.512 1.00 0.00 C ATOM 847 C PHE A 52 122.517 0.354 8.105 1.00 0.00 C ATOM 848 O PHE A 52 122.734 -0.745 7.627 1.00 0.00 O ATOM 849 CB PHE A 52 122.514 1.975 6.179 1.00 0.00 C ATOM 850 CG PHE A 52 121.063 2.375 6.313 1.00 0.00 C ATOM 851 CD1 PHE A 52 120.719 3.724 6.637 1.00 0.00 C ATOM 852 CD2 PHE A 52 120.033 1.402 6.120 1.00 0.00 C ATOM 853 CE1 PHE A 52 119.347 4.100 6.770 1.00 0.00 C ATOM 854 CE2 PHE A 52 118.661 1.778 6.252 1.00 0.00 C ATOM 855 CZ PHE A 52 118.318 3.127 6.576 1.00 0.00 C ATOM 0 H PHE A 52 124.777 0.490 6.663 1.00 0.00 H new ATOM 0 HA PHE A 52 123.057 2.399 8.254 1.00 0.00 H new ATOM 0 HB2 PHE A 52 123.069 2.795 5.724 1.00 0.00 H new ATOM 0 HB3 PHE A 52 122.588 1.125 5.500 1.00 0.00 H new ATOM 0 HD1 PHE A 52 121.497 4.459 6.781 1.00 0.00 H new ATOM 0 HD2 PHE A 52 120.292 0.383 5.874 1.00 0.00 H new ATOM 0 HE1 PHE A 52 119.088 5.119 7.017 1.00 0.00 H new ATOM 0 HE2 PHE A 52 117.883 1.043 6.107 1.00 0.00 H new ATOM 0 HZ PHE A 52 117.281 3.411 6.674 1.00 0.00 H new ATOM 865 N ASP A 53 121.727 0.529 9.139 1.00 0.00 N ATOM 866 CA ASP A 53 120.945 -0.603 9.723 1.00 0.00 C ATOM 867 C ASP A 53 119.528 -0.131 10.066 1.00 0.00 C ATOM 868 O ASP A 53 119.359 0.870 10.740 1.00 0.00 O ATOM 869 CB ASP A 53 121.703 -0.998 10.991 1.00 0.00 C ATOM 870 CG ASP A 53 121.156 -2.324 11.525 1.00 0.00 C ATOM 871 OD1 ASP A 53 119.946 -2.465 11.580 1.00 0.00 O ATOM 872 OD2 ASP A 53 121.959 -3.176 11.870 1.00 0.00 O ATOM 0 H ASP A 53 121.591 1.424 9.609 1.00 0.00 H new ATOM 0 HA ASP A 53 120.847 -1.442 9.034 1.00 0.00 H new ATOM 0 HB2 ASP A 53 122.767 -1.093 10.776 1.00 0.00 H new ATOM 0 HB3 ASP A 53 121.598 -0.219 11.747 1.00 0.00 H new ATOM 877 N ILE A 54 118.526 -0.846 9.605 1.00 0.00 N ATOM 878 CA ILE A 54 117.103 -0.436 9.862 1.00 0.00 C ATOM 879 C ILE A 54 116.773 -0.470 11.367 1.00 0.00 C ATOM 880 O ILE A 54 115.870 0.219 11.807 1.00 0.00 O ATOM 881 CB ILE A 54 116.222 -1.407 9.047 1.00 0.00 C ATOM 882 CG1 ILE A 54 114.750 -0.987 9.155 1.00 0.00 C ATOM 883 CG2 ILE A 54 116.388 -2.851 9.540 1.00 0.00 C ATOM 884 CD1 ILE A 54 113.917 -1.728 8.108 1.00 0.00 C ATOM 0 H ILE A 54 118.632 -1.701 9.059 1.00 0.00 H new ATOM 0 HA ILE A 54 116.923 0.593 9.553 1.00 0.00 H new ATOM 0 HB ILE A 54 116.540 -1.364 8.005 1.00 0.00 H new ATOM 0 HG12 ILE A 54 114.373 -1.207 10.154 1.00 0.00 H new ATOM 0 HG13 ILE A 54 114.659 0.089 9.009 1.00 0.00 H new ATOM 0 HG21 ILE A 54 115.756 -3.513 8.948 1.00 0.00 H new ATOM 0 HG22 ILE A 54 117.430 -3.154 9.434 1.00 0.00 H new ATOM 0 HG23 ILE A 54 116.097 -2.913 10.588 1.00 0.00 H new ATOM 0 HD11 ILE A 54 112.874 -1.424 8.192 1.00 0.00 H new ATOM 0 HD12 ILE A 54 114.287 -1.486 7.111 1.00 0.00 H new ATOM 0 HD13 ILE A 54 113.996 -2.802 8.274 1.00 0.00 H new ATOM 896 N ASN A 55 117.492 -1.255 12.141 1.00 0.00 N ATOM 897 CA ASN A 55 117.213 -1.350 13.615 1.00 0.00 C ATOM 898 C ASN A 55 117.693 -0.103 14.378 1.00 0.00 C ATOM 899 O ASN A 55 117.517 -0.032 15.582 1.00 0.00 O ATOM 900 CB ASN A 55 117.962 -2.590 14.112 1.00 0.00 C ATOM 901 CG ASN A 55 117.349 -3.844 13.485 1.00 0.00 C ATOM 902 OD1 ASN A 55 117.342 -3.992 12.279 1.00 0.00 O ATOM 903 ND2 ASN A 55 116.834 -4.760 14.258 1.00 0.00 N ATOM 0 H ASN A 55 118.263 -1.836 11.813 1.00 0.00 H new ATOM 0 HA ASN A 55 116.139 -1.420 13.789 1.00 0.00 H new ATOM 0 HB2 ASN A 55 119.018 -2.519 13.850 1.00 0.00 H new ATOM 0 HB3 ASN A 55 117.906 -2.650 15.199 1.00 0.00 H new ATOM 0 HD21 ASN A 55 116.425 -5.601 13.850 1.00 0.00 H new ATOM 0 HD22 ASN A 55 116.840 -4.635 15.270 1.00 0.00 H new ATOM 910 N LYS A 56 118.288 0.863 13.708 1.00 0.00 N ATOM 911 CA LYS A 56 118.573 2.185 14.353 1.00 0.00 C ATOM 912 C LYS A 56 117.417 3.177 14.137 1.00 0.00 C ATOM 913 O LYS A 56 117.363 4.196 14.803 1.00 0.00 O ATOM 914 CB LYS A 56 119.855 2.700 13.693 1.00 0.00 C ATOM 915 CG LYS A 56 121.028 1.797 14.081 1.00 0.00 C ATOM 916 CD LYS A 56 122.327 2.374 13.513 1.00 0.00 C ATOM 917 CE LYS A 56 123.482 1.413 13.801 1.00 0.00 C ATOM 918 NZ LYS A 56 123.913 1.736 15.190 1.00 0.00 N ATOM 0 H LYS A 56 118.589 0.788 12.736 1.00 0.00 H new ATOM 0 HA LYS A 56 118.685 2.079 15.432 1.00 0.00 H new ATOM 0 HB2 LYS A 56 119.738 2.716 12.609 1.00 0.00 H new ATOM 0 HB3 LYS A 56 120.052 3.725 14.007 1.00 0.00 H new ATOM 0 HG2 LYS A 56 121.097 1.718 15.166 1.00 0.00 H new ATOM 0 HG3 LYS A 56 120.867 0.789 13.698 1.00 0.00 H new ATOM 0 HD2 LYS A 56 122.229 2.530 12.439 1.00 0.00 H new ATOM 0 HD3 LYS A 56 122.530 3.348 13.959 1.00 0.00 H new ATOM 0 HE2 LYS A 56 123.162 0.374 13.718 1.00 0.00 H new ATOM 0 HE3 LYS A 56 124.298 1.552 13.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 124.747 1.165 15.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 124.154 2.746 15.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 123.140 1.523 15.852 1.00 0.00 H new ATOM 932 N PHE A 57 116.506 2.897 13.226 1.00 0.00 N ATOM 933 CA PHE A 57 115.299 3.761 13.039 1.00 0.00 C ATOM 934 C PHE A 57 114.041 2.957 13.377 1.00 0.00 C ATOM 935 O PHE A 57 114.123 1.771 13.646 1.00 0.00 O ATOM 936 CB PHE A 57 115.297 4.164 11.561 1.00 0.00 C ATOM 937 CG PHE A 57 116.555 4.873 11.112 1.00 0.00 C ATOM 938 CD1 PHE A 57 116.649 6.296 11.204 1.00 0.00 C ATOM 939 CD2 PHE A 57 117.655 4.115 10.602 1.00 0.00 C ATOM 940 CE1 PHE A 57 117.843 6.962 10.783 1.00 0.00 C ATOM 941 CE2 PHE A 57 118.849 4.781 10.182 1.00 0.00 C ATOM 942 CZ PHE A 57 118.942 6.204 10.272 1.00 0.00 C ATOM 0 H PHE A 57 116.553 2.094 12.598 1.00 0.00 H new ATOM 0 HA PHE A 57 115.316 4.638 13.686 1.00 0.00 H new ATOM 0 HB2 PHE A 57 115.160 3.270 10.952 1.00 0.00 H new ATOM 0 HB3 PHE A 57 114.441 4.812 11.374 1.00 0.00 H new ATOM 0 HD1 PHE A 57 115.819 6.868 11.591 1.00 0.00 H new ATOM 0 HD2 PHE A 57 117.584 3.039 10.534 1.00 0.00 H new ATOM 0 HE1 PHE A 57 117.914 8.037 10.851 1.00 0.00 H new ATOM 0 HE2 PHE A 57 119.680 4.209 9.797 1.00 0.00 H new ATOM 0 HZ PHE A 57 119.843 6.707 9.954 1.00 0.00 H new ATOM 952 N LYS A 58 112.892 3.595 13.363 1.00 0.00 N ATOM 953 CA LYS A 58 111.620 2.902 13.742 1.00 0.00 C ATOM 954 C LYS A 58 110.947 2.315 12.497 1.00 0.00 C ATOM 955 O LYS A 58 110.317 3.029 11.737 1.00 0.00 O ATOM 956 CB LYS A 58 110.738 3.980 14.376 1.00 0.00 C ATOM 957 CG LYS A 58 111.358 4.436 15.698 1.00 0.00 C ATOM 958 CD LYS A 58 110.412 5.415 16.398 1.00 0.00 C ATOM 959 CE LYS A 58 111.080 5.957 17.663 1.00 0.00 C ATOM 960 NZ LYS A 58 109.953 6.334 18.562 1.00 0.00 N ATOM 0 H LYS A 58 112.782 4.575 13.103 1.00 0.00 H new ATOM 0 HA LYS A 58 111.795 2.074 14.429 1.00 0.00 H new ATOM 0 HB2 LYS A 58 110.638 4.828 13.698 1.00 0.00 H new ATOM 0 HB3 LYS A 58 109.735 3.589 14.548 1.00 0.00 H new ATOM 0 HG2 LYS A 58 111.546 3.575 16.339 1.00 0.00 H new ATOM 0 HG3 LYS A 58 112.321 4.913 15.514 1.00 0.00 H new ATOM 0 HD2 LYS A 58 110.160 6.236 15.727 1.00 0.00 H new ATOM 0 HD3 LYS A 58 109.478 4.914 16.653 1.00 0.00 H new ATOM 0 HE2 LYS A 58 111.719 5.205 18.125 1.00 0.00 H new ATOM 0 HE3 LYS A 58 111.711 6.817 17.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 110.332 6.715 19.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 109.366 7.056 18.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 109.374 5.494 18.764 1.00 0.00 H new ATOM 974 N TYR A 59 111.082 1.023 12.300 1.00 0.00 N ATOM 975 CA TYR A 59 110.511 0.354 11.091 1.00 0.00 C ATOM 976 C TYR A 59 109.329 -0.545 11.482 1.00 0.00 C ATOM 977 O TYR A 59 109.016 -0.682 12.651 1.00 0.00 O ATOM 978 CB TYR A 59 111.680 -0.455 10.504 1.00 0.00 C ATOM 979 CG TYR A 59 112.148 -1.617 11.361 1.00 0.00 C ATOM 980 CD1 TYR A 59 113.145 -1.416 12.367 1.00 0.00 C ATOM 981 CD2 TYR A 59 111.579 -2.915 11.169 1.00 0.00 C ATOM 982 CE1 TYR A 59 113.572 -2.512 13.179 1.00 0.00 C ATOM 983 CE2 TYR A 59 112.009 -4.011 11.979 1.00 0.00 C ATOM 984 CZ TYR A 59 113.004 -3.810 12.985 1.00 0.00 C ATOM 985 OH TYR A 59 113.415 -4.868 13.770 1.00 0.00 O ATOM 0 H TYR A 59 111.572 0.396 12.938 1.00 0.00 H new ATOM 0 HA TYR A 59 110.114 1.062 10.364 1.00 0.00 H new ATOM 0 HB2 TYR A 59 111.383 -0.839 9.528 1.00 0.00 H new ATOM 0 HB3 TYR A 59 112.522 0.218 10.339 1.00 0.00 H new ATOM 0 HD1 TYR A 59 113.575 -0.436 12.513 1.00 0.00 H new ATOM 0 HD2 TYR A 59 110.824 -3.067 10.412 1.00 0.00 H new ATOM 0 HE1 TYR A 59 114.324 -2.360 13.939 1.00 0.00 H new ATOM 0 HE2 TYR A 59 111.582 -4.992 11.831 1.00 0.00 H new ATOM 0 HH TYR A 59 112.677 -5.504 13.875 1.00 0.00 H new ATOM 995 N ILE A 60 108.685 -1.147 10.507 1.00 0.00 N ATOM 996 CA ILE A 60 107.621 -2.161 10.790 1.00 0.00 C ATOM 997 C ILE A 60 108.141 -3.538 10.359 1.00 0.00 C ATOM 998 O ILE A 60 108.703 -3.676 9.286 1.00 0.00 O ATOM 999 CB ILE A 60 106.397 -1.730 9.960 1.00 0.00 C ATOM 1000 CG1 ILE A 60 105.932 -0.332 10.387 1.00 0.00 C ATOM 1001 CG2 ILE A 60 105.234 -2.708 10.174 1.00 0.00 C ATOM 1002 CD1 ILE A 60 104.965 0.234 9.343 1.00 0.00 C ATOM 0 H ILE A 60 108.855 -0.975 9.516 1.00 0.00 H new ATOM 0 HA ILE A 60 107.354 -2.223 11.845 1.00 0.00 H new ATOM 0 HB ILE A 60 106.689 -1.724 8.910 1.00 0.00 H new ATOM 0 HG12 ILE A 60 105.443 -0.383 11.360 1.00 0.00 H new ATOM 0 HG13 ILE A 60 106.791 0.329 10.497 1.00 0.00 H new ATOM 0 HG21 ILE A 60 104.377 -2.389 9.581 1.00 0.00 H new ATOM 0 HG22 ILE A 60 105.538 -3.708 9.865 1.00 0.00 H new ATOM 0 HG23 ILE A 60 104.960 -2.722 11.229 1.00 0.00 H new ATOM 0 HD11 ILE A 60 104.638 1.227 9.651 1.00 0.00 H new ATOM 0 HD12 ILE A 60 105.469 0.301 8.379 1.00 0.00 H new ATOM 0 HD13 ILE A 60 104.099 -0.422 9.255 1.00 0.00 H new ATOM 1014 N GLU A 61 107.958 -4.538 11.190 1.00 0.00 N ATOM 1015 CA GLU A 61 108.462 -5.910 10.873 1.00 0.00 C ATOM 1016 C GLU A 61 107.300 -6.824 10.478 1.00 0.00 C ATOM 1017 O GLU A 61 106.223 -6.731 11.040 1.00 0.00 O ATOM 1018 CB GLU A 61 109.107 -6.400 12.171 1.00 0.00 C ATOM 1019 CG GLU A 61 109.884 -7.691 11.900 1.00 0.00 C ATOM 1020 CD GLU A 61 110.417 -8.256 13.219 1.00 0.00 C ATOM 1021 OE1 GLU A 61 109.663 -8.287 14.177 1.00 0.00 O ATOM 1022 OE2 GLU A 61 111.572 -8.648 13.247 1.00 0.00 O ATOM 0 H GLU A 61 107.475 -4.459 12.085 1.00 0.00 H new ATOM 0 HA GLU A 61 109.164 -5.910 10.039 1.00 0.00 H new ATOM 0 HB2 GLU A 61 109.776 -5.637 12.568 1.00 0.00 H new ATOM 0 HB3 GLU A 61 108.341 -6.576 12.926 1.00 0.00 H new ATOM 0 HG2 GLU A 61 109.237 -8.422 11.415 1.00 0.00 H new ATOM 0 HG3 GLU A 61 110.710 -7.494 11.217 1.00 0.00 H new ATOM 1029 N THR A 62 107.520 -7.697 9.520 1.00 0.00 N ATOM 1030 CA THR A 62 106.446 -8.634 9.064 1.00 0.00 C ATOM 1031 C THR A 62 106.851 -10.085 9.343 1.00 0.00 C ATOM 1032 O THR A 62 107.964 -10.484 9.046 1.00 0.00 O ATOM 1033 CB THR A 62 106.311 -8.402 7.558 1.00 0.00 C ATOM 1034 OG1 THR A 62 107.574 -8.589 6.937 1.00 0.00 O ATOM 1035 CG2 THR A 62 105.812 -6.980 7.293 1.00 0.00 C ATOM 0 H THR A 62 108.409 -7.799 9.031 1.00 0.00 H new ATOM 0 HA THR A 62 105.506 -8.456 9.587 1.00 0.00 H new ATOM 0 HB THR A 62 105.594 -9.113 7.147 1.00 0.00 H new ATOM 0 HG1 THR A 62 107.687 -9.534 6.703 1.00 0.00 H new ATOM 0 HG21 THR A 62 105.718 -6.822 6.219 1.00 0.00 H new ATOM 0 HG22 THR A 62 104.840 -6.841 7.766 1.00 0.00 H new ATOM 0 HG23 THR A 62 106.522 -6.263 7.705 1.00 0.00 H new ATOM 1043 N GLU A 63 105.945 -10.858 9.898 1.00 0.00 N ATOM 1044 CA GLU A 63 106.282 -12.236 10.387 1.00 0.00 C ATOM 1045 C GLU A 63 106.387 -13.232 9.223 1.00 0.00 C ATOM 1046 O GLU A 63 106.074 -12.905 8.092 1.00 0.00 O ATOM 1047 CB GLU A 63 105.164 -12.642 11.364 1.00 0.00 C ATOM 1048 CG GLU A 63 103.789 -12.638 10.682 1.00 0.00 C ATOM 1049 CD GLU A 63 102.808 -13.471 11.508 1.00 0.00 C ATOM 1050 OE1 GLU A 63 102.573 -13.113 12.651 1.00 0.00 O ATOM 1051 OE2 GLU A 63 102.306 -14.453 10.985 1.00 0.00 O ATOM 0 H GLU A 63 104.971 -10.588 10.035 1.00 0.00 H new ATOM 0 HA GLU A 63 107.253 -12.243 10.881 1.00 0.00 H new ATOM 0 HB2 GLU A 63 105.371 -13.636 11.762 1.00 0.00 H new ATOM 0 HB3 GLU A 63 105.153 -11.956 12.211 1.00 0.00 H new ATOM 0 HG2 GLU A 63 103.423 -11.616 10.584 1.00 0.00 H new ATOM 0 HG3 GLU A 63 103.870 -13.045 9.674 1.00 0.00 H new ATOM 1058 N ASP A 64 106.824 -14.440 9.510 1.00 0.00 N ATOM 1059 CA ASP A 64 106.975 -15.489 8.445 1.00 0.00 C ATOM 1060 C ASP A 64 105.589 -15.906 7.943 1.00 0.00 C ATOM 1061 O ASP A 64 104.665 -16.036 8.728 1.00 0.00 O ATOM 1062 CB ASP A 64 107.676 -16.688 9.106 1.00 0.00 C ATOM 1063 CG ASP A 64 109.066 -16.284 9.606 1.00 0.00 C ATOM 1064 OD1 ASP A 64 109.756 -15.588 8.883 1.00 0.00 O ATOM 1065 OD2 ASP A 64 109.415 -16.679 10.706 1.00 0.00 O ATOM 0 H ASP A 64 107.085 -14.746 10.447 1.00 0.00 H new ATOM 0 HA ASP A 64 107.550 -15.119 7.596 1.00 0.00 H new ATOM 0 HB2 ASP A 64 107.076 -17.055 9.938 1.00 0.00 H new ATOM 0 HB3 ASP A 64 107.763 -17.506 8.391 1.00 0.00 H new ATOM 1070 N PHE A 65 105.447 -16.111 6.652 1.00 0.00 N ATOM 1071 CA PHE A 65 104.112 -16.450 6.067 1.00 0.00 C ATOM 1072 C PHE A 65 104.249 -17.549 5.007 1.00 0.00 C ATOM 1073 O PHE A 65 105.344 -17.852 4.571 1.00 0.00 O ATOM 1074 CB PHE A 65 103.602 -15.142 5.449 1.00 0.00 C ATOM 1075 CG PHE A 65 104.485 -14.583 4.354 1.00 0.00 C ATOM 1076 CD1 PHE A 65 104.263 -14.968 2.995 1.00 0.00 C ATOM 1077 CD2 PHE A 65 105.538 -13.672 4.677 1.00 0.00 C ATOM 1078 CE1 PHE A 65 105.093 -14.442 1.958 1.00 0.00 C ATOM 1079 CE2 PHE A 65 106.370 -13.146 3.639 1.00 0.00 C ATOM 1080 CZ PHE A 65 106.147 -13.530 2.281 1.00 0.00 C ATOM 0 H PHE A 65 106.208 -16.057 5.975 1.00 0.00 H new ATOM 0 HA PHE A 65 103.421 -16.836 6.816 1.00 0.00 H new ATOM 0 HB2 PHE A 65 102.604 -15.310 5.044 1.00 0.00 H new ATOM 0 HB3 PHE A 65 103.504 -14.395 6.237 1.00 0.00 H new ATOM 0 HD1 PHE A 65 103.467 -15.657 2.752 1.00 0.00 H new ATOM 0 HD2 PHE A 65 105.705 -13.381 5.704 1.00 0.00 H new ATOM 0 HE1 PHE A 65 104.925 -14.732 0.931 1.00 0.00 H new ATOM 0 HE2 PHE A 65 107.167 -12.459 3.882 1.00 0.00 H new ATOM 0 HZ PHE A 65 106.775 -13.131 1.498 1.00 0.00 H new ATOM 1090 N GLU A 66 103.146 -18.137 4.603 1.00 0.00 N ATOM 1091 CA GLU A 66 103.173 -19.199 3.549 1.00 0.00 C ATOM 1092 C GLU A 66 102.223 -18.841 2.400 1.00 0.00 C ATOM 1093 O GLU A 66 101.182 -18.247 2.615 1.00 0.00 O ATOM 1094 CB GLU A 66 102.703 -20.474 4.255 1.00 0.00 C ATOM 1095 CG GLU A 66 103.902 -21.190 4.886 1.00 0.00 C ATOM 1096 CD GLU A 66 103.431 -22.406 5.691 1.00 0.00 C ATOM 1097 OE1 GLU A 66 102.396 -22.314 6.332 1.00 0.00 O ATOM 1098 OE2 GLU A 66 104.122 -23.411 5.658 1.00 0.00 O ATOM 0 H GLU A 66 102.217 -17.922 4.965 1.00 0.00 H new ATOM 0 HA GLU A 66 104.165 -19.315 3.112 1.00 0.00 H new ATOM 0 HB2 GLU A 66 101.970 -20.226 5.023 1.00 0.00 H new ATOM 0 HB3 GLU A 66 102.208 -21.134 3.543 1.00 0.00 H new ATOM 0 HG2 GLU A 66 104.596 -21.507 4.108 1.00 0.00 H new ATOM 0 HG3 GLU A 66 104.444 -20.503 5.536 1.00 0.00 H new ATOM 1105 N PHE A 67 102.590 -19.206 1.194 1.00 0.00 N ATOM 1106 CA PHE A 67 101.687 -19.031 0.016 1.00 0.00 C ATOM 1107 C PHE A 67 101.968 -20.132 -1.010 1.00 0.00 C ATOM 1108 O PHE A 67 103.105 -20.515 -1.211 1.00 0.00 O ATOM 1109 CB PHE A 67 102.029 -17.654 -0.554 1.00 0.00 C ATOM 1110 CG PHE A 67 101.047 -17.175 -1.598 1.00 0.00 C ATOM 1111 CD1 PHE A 67 99.821 -16.561 -1.196 1.00 0.00 C ATOM 1112 CD2 PHE A 67 101.341 -17.341 -2.987 1.00 0.00 C ATOM 1113 CE1 PHE A 67 98.889 -16.113 -2.182 1.00 0.00 C ATOM 1114 CE2 PHE A 67 100.409 -16.892 -3.973 1.00 0.00 C ATOM 1115 CZ PHE A 67 99.183 -16.278 -3.571 1.00 0.00 C ATOM 0 H PHE A 67 103.494 -19.625 0.975 1.00 0.00 H new ATOM 0 HA PHE A 67 100.632 -19.098 0.282 1.00 0.00 H new ATOM 0 HB2 PHE A 67 102.064 -16.930 0.260 1.00 0.00 H new ATOM 0 HB3 PHE A 67 103.026 -17.688 -0.993 1.00 0.00 H new ATOM 0 HD1 PHE A 67 99.599 -16.436 -0.147 1.00 0.00 H new ATOM 0 HD2 PHE A 67 102.267 -17.806 -3.291 1.00 0.00 H new ATOM 0 HE1 PHE A 67 97.962 -15.650 -1.878 1.00 0.00 H new ATOM 0 HE2 PHE A 67 100.631 -17.017 -5.022 1.00 0.00 H new ATOM 0 HZ PHE A 67 98.479 -15.939 -4.316 1.00 0.00 H new ATOM 1125 N ASN A 68 100.940 -20.647 -1.655 1.00 0.00 N ATOM 1126 CA ASN A 68 101.084 -21.782 -2.637 1.00 0.00 C ATOM 1127 C ASN A 68 101.849 -22.973 -2.036 1.00 0.00 C ATOM 1128 O ASN A 68 102.519 -23.703 -2.748 1.00 0.00 O ATOM 1129 CB ASN A 68 101.843 -21.212 -3.843 1.00 0.00 C ATOM 1130 CG ASN A 68 100.871 -20.495 -4.783 1.00 0.00 C ATOM 1131 OD1 ASN A 68 101.086 -19.354 -5.138 1.00 0.00 O ATOM 1132 ND2 ASN A 68 99.810 -21.120 -5.214 1.00 0.00 N ATOM 0 H ASN A 68 99.981 -20.319 -1.539 1.00 0.00 H new ATOM 0 HA ASN A 68 100.103 -22.165 -2.918 1.00 0.00 H new ATOM 0 HB2 ASN A 68 102.612 -20.518 -3.504 1.00 0.00 H new ATOM 0 HB3 ASN A 68 102.351 -22.016 -4.376 1.00 0.00 H new ATOM 0 HD21 ASN A 68 99.163 -20.650 -5.848 1.00 0.00 H new ATOM 0 HD22 ASN A 68 99.627 -22.079 -4.917 1.00 0.00 H new ATOM 1139 N GLY A 69 101.747 -23.164 -0.740 1.00 0.00 N ATOM 1140 CA GLY A 69 102.415 -24.324 -0.070 1.00 0.00 C ATOM 1141 C GLY A 69 103.926 -24.095 0.092 1.00 0.00 C ATOM 1142 O GLY A 69 104.656 -25.040 0.336 1.00 0.00 O ATOM 0 H GLY A 69 101.222 -22.556 -0.112 1.00 0.00 H new ATOM 0 HA2 GLY A 69 101.965 -24.487 0.909 1.00 0.00 H new ATOM 0 HA3 GLY A 69 102.245 -25.229 -0.654 1.00 0.00 H new ATOM 1146 N LYS A 70 104.398 -22.872 -0.038 1.00 0.00 N ATOM 1147 CA LYS A 70 105.860 -22.584 0.081 1.00 0.00 C ATOM 1148 C LYS A 70 106.096 -21.574 1.206 1.00 0.00 C ATOM 1149 O LYS A 70 105.309 -20.662 1.386 1.00 0.00 O ATOM 1150 CB LYS A 70 106.261 -21.985 -1.270 1.00 0.00 C ATOM 1151 CG LYS A 70 106.141 -23.047 -2.367 1.00 0.00 C ATOM 1152 CD LYS A 70 107.257 -24.082 -2.206 1.00 0.00 C ATOM 1153 CE LYS A 70 107.230 -25.051 -3.391 1.00 0.00 C ATOM 1154 NZ LYS A 70 106.106 -25.983 -3.099 1.00 0.00 N ATOM 0 H LYS A 70 103.819 -22.053 -0.224 1.00 0.00 H new ATOM 0 HA LYS A 70 106.443 -23.475 0.316 1.00 0.00 H new ATOM 0 HB2 LYS A 70 105.622 -21.134 -1.504 1.00 0.00 H new ATOM 0 HB3 LYS A 70 107.284 -21.612 -1.223 1.00 0.00 H new ATOM 0 HG2 LYS A 70 105.168 -23.535 -2.310 1.00 0.00 H new ATOM 0 HG3 LYS A 70 106.205 -22.578 -3.349 1.00 0.00 H new ATOM 0 HD2 LYS A 70 108.225 -23.583 -2.152 1.00 0.00 H new ATOM 0 HD3 LYS A 70 107.128 -24.629 -1.272 1.00 0.00 H new ATOM 0 HE2 LYS A 70 107.070 -24.522 -4.330 1.00 0.00 H new ATOM 0 HE3 LYS A 70 108.174 -25.588 -3.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 106.476 -26.949 -2.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 105.632 -25.691 -2.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 105.424 -25.961 -3.884 1.00 0.00 H new ATOM 1168 N ARG A 71 107.167 -21.738 1.948 1.00 0.00 N ATOM 1169 CA ARG A 71 107.435 -20.850 3.121 1.00 0.00 C ATOM 1170 C ARG A 71 108.322 -19.671 2.709 1.00 0.00 C ATOM 1171 O ARG A 71 109.336 -19.855 2.060 1.00 0.00 O ATOM 1172 CB ARG A 71 108.156 -21.732 4.144 1.00 0.00 C ATOM 1173 CG ARG A 71 107.192 -22.802 4.664 1.00 0.00 C ATOM 1174 CD ARG A 71 107.906 -23.678 5.699 1.00 0.00 C ATOM 1175 NE ARG A 71 106.925 -24.751 6.071 1.00 0.00 N ATOM 1176 CZ ARG A 71 107.297 -25.929 6.535 1.00 0.00 C ATOM 1177 NH1 ARG A 71 108.553 -26.255 6.739 1.00 0.00 N ATOM 1178 NH2 ARG A 71 106.373 -26.806 6.818 1.00 0.00 N ATOM 0 H ARG A 71 107.872 -22.457 1.787 1.00 0.00 H new ATOM 0 HA ARG A 71 106.516 -20.428 3.528 1.00 0.00 H new ATOM 0 HB2 ARG A 71 109.026 -22.203 3.686 1.00 0.00 H new ATOM 0 HB3 ARG A 71 108.522 -21.124 4.971 1.00 0.00 H new ATOM 0 HG2 ARG A 71 106.318 -22.331 5.113 1.00 0.00 H new ATOM 0 HG3 ARG A 71 106.834 -23.416 3.838 1.00 0.00 H new ATOM 0 HD2 ARG A 71 108.818 -24.108 5.285 1.00 0.00 H new ATOM 0 HD3 ARG A 71 108.197 -23.094 6.572 1.00 0.00 H new ATOM 0 HE ARG A 71 105.929 -24.562 5.961 1.00 0.00 H new ATOM 0 HH11 ARG A 71 109.294 -25.583 6.537 1.00 0.00 H new ATOM 0 HH12 ARG A 71 108.788 -27.180 7.100 1.00 0.00 H new ATOM 0 HH21 ARG A 71 105.390 -26.574 6.679 1.00 0.00 H new ATOM 0 HH22 ARG A 71 106.634 -27.724 7.178 1.00 0.00 H new ATOM 1192 N PHE A 72 107.935 -18.474 3.087 1.00 0.00 N ATOM 1193 CA PHE A 72 108.752 -17.259 2.785 1.00 0.00 C ATOM 1194 C PHE A 72 109.139 -16.558 4.090 1.00 0.00 C ATOM 1195 O PHE A 72 108.357 -16.519 5.025 1.00 0.00 O ATOM 1196 CB PHE A 72 107.841 -16.368 1.941 1.00 0.00 C ATOM 1197 CG PHE A 72 107.447 -16.989 0.621 1.00 0.00 C ATOM 1198 CD1 PHE A 72 106.375 -17.933 0.568 1.00 0.00 C ATOM 1199 CD2 PHE A 72 108.147 -16.635 -0.574 1.00 0.00 C ATOM 1200 CE1 PHE A 72 106.003 -18.522 -0.681 1.00 0.00 C ATOM 1201 CE2 PHE A 72 107.775 -17.224 -1.821 1.00 0.00 C ATOM 1202 CZ PHE A 72 106.703 -18.167 -1.875 1.00 0.00 C ATOM 0 H PHE A 72 107.073 -18.288 3.600 1.00 0.00 H new ATOM 0 HA PHE A 72 109.678 -17.496 2.262 1.00 0.00 H new ATOM 0 HB2 PHE A 72 106.940 -16.140 2.510 1.00 0.00 H new ATOM 0 HB3 PHE A 72 108.346 -15.421 1.752 1.00 0.00 H new ATOM 0 HD1 PHE A 72 105.846 -18.201 1.471 1.00 0.00 H new ATOM 0 HD2 PHE A 72 108.957 -15.922 -0.534 1.00 0.00 H new ATOM 0 HE1 PHE A 72 105.193 -19.235 -0.722 1.00 0.00 H new ATOM 0 HE2 PHE A 72 108.304 -16.956 -2.724 1.00 0.00 H new ATOM 0 HZ PHE A 72 106.422 -18.611 -2.818 1.00 0.00 H new ATOM 1212 N PHE A 73 110.328 -16.005 4.143 1.00 0.00 N ATOM 1213 CA PHE A 73 110.887 -15.501 5.438 1.00 0.00 C ATOM 1214 C PHE A 73 110.435 -14.060 5.689 1.00 0.00 C ATOM 1215 O PHE A 73 110.184 -13.315 4.759 1.00 0.00 O ATOM 1216 CB PHE A 73 112.409 -15.571 5.290 1.00 0.00 C ATOM 1217 CG PHE A 73 112.938 -16.980 5.168 1.00 0.00 C ATOM 1218 CD1 PHE A 73 113.219 -17.743 6.344 1.00 0.00 C ATOM 1219 CD2 PHE A 73 113.156 -17.552 3.875 1.00 0.00 C ATOM 1220 CE1 PHE A 73 113.718 -19.076 6.227 1.00 0.00 C ATOM 1221 CE2 PHE A 73 113.657 -18.885 3.760 1.00 0.00 C ATOM 1222 CZ PHE A 73 113.938 -19.648 4.936 1.00 0.00 C ATOM 0 H PHE A 73 110.940 -15.880 3.337 1.00 0.00 H new ATOM 0 HA PHE A 73 110.541 -16.094 6.284 1.00 0.00 H new ATOM 0 HB2 PHE A 73 112.707 -15.002 4.409 1.00 0.00 H new ATOM 0 HB3 PHE A 73 112.872 -15.091 6.152 1.00 0.00 H new ATOM 0 HD1 PHE A 73 113.054 -17.312 7.320 1.00 0.00 H new ATOM 0 HD2 PHE A 73 112.942 -16.977 2.986 1.00 0.00 H new ATOM 0 HE1 PHE A 73 113.929 -19.653 7.115 1.00 0.00 H new ATOM 0 HE2 PHE A 73 113.824 -19.317 2.784 1.00 0.00 H new ATOM 0 HZ PHE A 73 114.316 -20.656 4.849 1.00 0.00 H new ATOM 1232 N GLY A 74 110.338 -13.678 6.942 1.00 0.00 N ATOM 1233 CA GLY A 74 109.830 -12.322 7.309 1.00 0.00 C ATOM 1234 C GLY A 74 110.825 -11.250 6.861 1.00 0.00 C ATOM 1235 O GLY A 74 111.952 -11.551 6.510 1.00 0.00 O ATOM 0 H GLY A 74 110.595 -14.262 7.738 1.00 0.00 H new ATOM 0 HA2 GLY A 74 108.861 -12.149 6.840 1.00 0.00 H new ATOM 0 HA3 GLY A 74 109.678 -12.261 8.387 1.00 0.00 H new ATOM 1239 N VAL A 75 110.404 -10.006 6.879 1.00 0.00 N ATOM 1240 CA VAL A 75 111.260 -8.891 6.360 1.00 0.00 C ATOM 1241 C VAL A 75 111.046 -7.620 7.189 1.00 0.00 C ATOM 1242 O VAL A 75 110.068 -7.507 7.905 1.00 0.00 O ATOM 1243 CB VAL A 75 110.852 -8.668 4.892 1.00 0.00 C ATOM 1244 CG1 VAL A 75 111.171 -9.923 4.075 1.00 0.00 C ATOM 1245 CG2 VAL A 75 109.354 -8.356 4.765 1.00 0.00 C ATOM 0 H VAL A 75 109.494 -9.714 7.235 1.00 0.00 H new ATOM 0 HA VAL A 75 112.319 -9.141 6.432 1.00 0.00 H new ATOM 0 HB VAL A 75 111.415 -7.815 4.514 1.00 0.00 H new ATOM 0 HG11 VAL A 75 110.882 -9.764 3.036 1.00 0.00 H new ATOM 0 HG12 VAL A 75 112.240 -10.129 4.127 1.00 0.00 H new ATOM 0 HG13 VAL A 75 110.618 -10.771 4.480 1.00 0.00 H new ATOM 0 HG21 VAL A 75 109.102 -8.204 3.716 1.00 0.00 H new ATOM 0 HG22 VAL A 75 108.774 -9.190 5.161 1.00 0.00 H new ATOM 0 HG23 VAL A 75 109.122 -7.452 5.328 1.00 0.00 H new ATOM 1255 N LYS A 76 111.955 -6.679 7.089 1.00 0.00 N ATOM 1256 CA LYS A 76 111.773 -5.349 7.748 1.00 0.00 C ATOM 1257 C LYS A 76 111.593 -4.263 6.681 1.00 0.00 C ATOM 1258 O LYS A 76 112.295 -4.260 5.684 1.00 0.00 O ATOM 1259 CB LYS A 76 113.061 -5.111 8.539 1.00 0.00 C ATOM 1260 CG LYS A 76 113.164 -6.126 9.680 1.00 0.00 C ATOM 1261 CD LYS A 76 114.358 -5.771 10.570 1.00 0.00 C ATOM 1262 CE LYS A 76 114.372 -6.682 11.800 1.00 0.00 C ATOM 1263 NZ LYS A 76 114.834 -8.007 11.301 1.00 0.00 N ATOM 0 H LYS A 76 112.828 -6.779 6.571 1.00 0.00 H new ATOM 0 HA LYS A 76 110.894 -5.323 8.392 1.00 0.00 H new ATOM 0 HB2 LYS A 76 113.925 -5.201 7.881 1.00 0.00 H new ATOM 0 HB3 LYS A 76 113.070 -4.097 8.940 1.00 0.00 H new ATOM 0 HG2 LYS A 76 112.246 -6.124 10.267 1.00 0.00 H new ATOM 0 HG3 LYS A 76 113.283 -7.132 9.277 1.00 0.00 H new ATOM 0 HD2 LYS A 76 115.287 -5.884 10.011 1.00 0.00 H new ATOM 0 HD3 LYS A 76 114.296 -4.727 10.879 1.00 0.00 H new ATOM 0 HE2 LYS A 76 115.042 -6.296 12.568 1.00 0.00 H new ATOM 0 HE3 LYS A 76 113.381 -6.754 12.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 114.966 -8.654 12.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 114.123 -8.401 10.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 115.737 -7.893 10.797 1.00 0.00 H new ATOM 1277 N VAL A 77 110.666 -3.357 6.892 1.00 0.00 N ATOM 1278 CA VAL A 77 110.384 -2.287 5.881 1.00 0.00 C ATOM 1279 C VAL A 77 110.318 -0.928 6.591 1.00 0.00 C ATOM 1280 O VAL A 77 109.750 -0.820 7.663 1.00 0.00 O ATOM 1281 CB VAL A 77 109.029 -2.653 5.243 1.00 0.00 C ATOM 1282 CG1 VAL A 77 108.653 -1.632 4.161 1.00 0.00 C ATOM 1283 CG2 VAL A 77 109.104 -4.036 4.584 1.00 0.00 C ATOM 0 H VAL A 77 110.087 -3.313 7.731 1.00 0.00 H new ATOM 0 HA VAL A 77 111.159 -2.218 5.117 1.00 0.00 H new ATOM 0 HB VAL A 77 108.280 -2.654 6.034 1.00 0.00 H new ATOM 0 HG11 VAL A 77 107.694 -1.905 3.721 1.00 0.00 H new ATOM 0 HG12 VAL A 77 108.578 -0.640 4.607 1.00 0.00 H new ATOM 0 HG13 VAL A 77 109.419 -1.625 3.386 1.00 0.00 H new ATOM 0 HG21 VAL A 77 108.140 -4.279 4.138 1.00 0.00 H new ATOM 0 HG22 VAL A 77 109.870 -4.029 3.809 1.00 0.00 H new ATOM 0 HG23 VAL A 77 109.355 -4.784 5.336 1.00 0.00 H new ATOM 1293 N LEU A 78 110.894 0.091 5.994 1.00 0.00 N ATOM 1294 CA LEU A 78 110.861 1.460 6.600 1.00 0.00 C ATOM 1295 C LEU A 78 110.563 2.514 5.513 1.00 0.00 C ATOM 1296 O LEU A 78 111.270 2.548 4.524 1.00 0.00 O ATOM 1297 CB LEU A 78 112.271 1.644 7.172 1.00 0.00 C ATOM 1298 CG LEU A 78 112.385 2.969 7.934 1.00 0.00 C ATOM 1299 CD1 LEU A 78 111.536 2.923 9.206 1.00 0.00 C ATOM 1300 CD2 LEU A 78 113.847 3.190 8.322 1.00 0.00 C ATOM 0 H LEU A 78 111.390 0.030 5.105 1.00 0.00 H new ATOM 0 HA LEU A 78 110.088 1.575 7.360 1.00 0.00 H new ATOM 0 HB2 LEU A 78 112.508 0.815 7.839 1.00 0.00 H new ATOM 0 HB3 LEU A 78 113.001 1.621 6.363 1.00 0.00 H new ATOM 0 HG LEU A 78 112.031 3.780 7.298 1.00 0.00 H new ATOM 0 HD11 LEU A 78 111.626 3.870 9.738 1.00 0.00 H new ATOM 0 HD12 LEU A 78 110.492 2.753 8.941 1.00 0.00 H new ATOM 0 HD13 LEU A 78 111.884 2.113 9.847 1.00 0.00 H new ATOM 0 HD21 LEU A 78 113.941 4.130 8.865 1.00 0.00 H new ATOM 0 HD22 LEU A 78 114.183 2.370 8.956 1.00 0.00 H new ATOM 0 HD23 LEU A 78 114.461 3.228 7.422 1.00 0.00 H new ATOM 1312 N PRO A 79 109.543 3.342 5.702 1.00 0.00 N ATOM 1313 CA PRO A 79 109.228 4.419 4.707 1.00 0.00 C ATOM 1314 C PRO A 79 110.371 5.439 4.605 1.00 0.00 C ATOM 1315 O PRO A 79 111.074 5.683 5.568 1.00 0.00 O ATOM 1316 CB PRO A 79 107.971 5.080 5.283 1.00 0.00 C ATOM 1317 CG PRO A 79 107.384 4.025 6.152 1.00 0.00 C ATOM 1318 CD PRO A 79 108.565 3.381 6.810 1.00 0.00 C ATOM 0 HA PRO A 79 109.089 4.028 3.699 1.00 0.00 H new ATOM 0 HB2 PRO A 79 108.215 5.977 5.852 1.00 0.00 H new ATOM 0 HB3 PRO A 79 107.280 5.380 4.495 1.00 0.00 H new ATOM 0 HG2 PRO A 79 106.703 4.451 6.889 1.00 0.00 H new ATOM 0 HG3 PRO A 79 106.812 3.303 5.569 1.00 0.00 H new ATOM 0 HD2 PRO A 79 108.929 3.963 7.657 1.00 0.00 H new ATOM 0 HD3 PRO A 79 108.331 2.384 7.185 1.00 0.00 H new ATOM 1326 N ILE A 80 110.545 6.025 3.441 1.00 0.00 N ATOM 1327 CA ILE A 80 111.499 7.170 3.279 1.00 0.00 C ATOM 1328 C ILE A 80 110.924 8.209 2.307 1.00 0.00 C ATOM 1329 O ILE A 80 109.927 7.961 1.652 1.00 0.00 O ATOM 1330 CB ILE A 80 112.812 6.579 2.731 1.00 0.00 C ATOM 1331 CG1 ILE A 80 112.580 5.852 1.394 1.00 0.00 C ATOM 1332 CG2 ILE A 80 113.400 5.601 3.754 1.00 0.00 C ATOM 1333 CD1 ILE A 80 113.923 5.506 0.743 1.00 0.00 C ATOM 0 H ILE A 80 110.059 5.754 2.586 1.00 0.00 H new ATOM 0 HA ILE A 80 111.670 7.677 4.229 1.00 0.00 H new ATOM 0 HB ILE A 80 113.510 7.398 2.557 1.00 0.00 H new ATOM 0 HG12 ILE A 80 112.003 4.942 1.561 1.00 0.00 H new ATOM 0 HG13 ILE A 80 111.994 6.483 0.725 1.00 0.00 H new ATOM 0 HG21 ILE A 80 114.329 5.183 3.366 1.00 0.00 H new ATOM 0 HG22 ILE A 80 113.601 6.128 4.687 1.00 0.00 H new ATOM 0 HG23 ILE A 80 112.689 4.796 3.938 1.00 0.00 H new ATOM 0 HD11 ILE A 80 113.748 4.992 -0.202 1.00 0.00 H new ATOM 0 HD12 ILE A 80 114.485 6.422 0.559 1.00 0.00 H new ATOM 0 HD13 ILE A 80 114.493 4.858 1.408 1.00 0.00 H new ATOM 1345 N LYS A 81 111.552 9.357 2.221 1.00 0.00 N ATOM 1346 CA LYS A 81 111.249 10.324 1.121 1.00 0.00 C ATOM 1347 C LYS A 81 112.486 10.481 0.235 1.00 0.00 C ATOM 1348 O LYS A 81 113.579 10.677 0.733 1.00 0.00 O ATOM 1349 CB LYS A 81 110.911 11.644 1.819 1.00 0.00 C ATOM 1350 CG LYS A 81 109.613 11.494 2.618 1.00 0.00 C ATOM 1351 CD LYS A 81 108.425 11.397 1.659 1.00 0.00 C ATOM 1352 CE LYS A 81 107.120 11.409 2.457 1.00 0.00 C ATOM 1353 NZ LYS A 81 107.005 10.038 3.028 1.00 0.00 N ATOM 0 H LYS A 81 112.270 9.668 2.875 1.00 0.00 H new ATOM 0 HA LYS A 81 110.428 9.993 0.485 1.00 0.00 H new ATOM 0 HB2 LYS A 81 111.726 11.933 2.483 1.00 0.00 H new ATOM 0 HB3 LYS A 81 110.804 12.439 1.081 1.00 0.00 H new ATOM 0 HG2 LYS A 81 109.661 10.603 3.244 1.00 0.00 H new ATOM 0 HG3 LYS A 81 109.485 12.346 3.286 1.00 0.00 H new ATOM 0 HD2 LYS A 81 108.442 12.231 0.957 1.00 0.00 H new ATOM 0 HD3 LYS A 81 108.494 10.483 1.069 1.00 0.00 H new ATOM 0 HE2 LYS A 81 107.145 12.163 3.243 1.00 0.00 H new ATOM 0 HE3 LYS A 81 106.269 11.643 1.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 106.177 9.560 2.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 107.863 9.495 2.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 106.895 10.100 4.060 1.00 0.00 H new ATOM 1367 N ILE A 82 112.315 10.396 -1.064 1.00 0.00 N ATOM 1368 CA ILE A 82 113.481 10.427 -2.003 1.00 0.00 C ATOM 1369 C ILE A 82 113.512 11.790 -2.706 1.00 0.00 C ATOM 1370 O ILE A 82 112.546 12.181 -3.336 1.00 0.00 O ATOM 1371 CB ILE A 82 113.250 9.280 -3.007 1.00 0.00 C ATOM 1372 CG1 ILE A 82 113.170 7.934 -2.273 1.00 0.00 C ATOM 1373 CG2 ILE A 82 114.407 9.209 -4.011 1.00 0.00 C ATOM 1374 CD1 ILE A 82 112.585 6.872 -3.208 1.00 0.00 C ATOM 0 H ILE A 82 111.406 10.305 -1.518 1.00 0.00 H new ATOM 0 HA ILE A 82 114.437 10.297 -1.495 1.00 0.00 H new ATOM 0 HB ILE A 82 112.313 9.477 -3.529 1.00 0.00 H new ATOM 0 HG12 ILE A 82 114.162 7.631 -1.938 1.00 0.00 H new ATOM 0 HG13 ILE A 82 112.549 8.031 -1.382 1.00 0.00 H new ATOM 0 HG21 ILE A 82 114.230 8.394 -4.713 1.00 0.00 H new ATOM 0 HG22 ILE A 82 114.474 10.150 -4.556 1.00 0.00 H new ATOM 0 HG23 ILE A 82 115.341 9.032 -3.478 1.00 0.00 H new ATOM 0 HD11 ILE A 82 112.529 5.917 -2.685 1.00 0.00 H new ATOM 0 HD12 ILE A 82 111.585 7.173 -3.521 1.00 0.00 H new ATOM 0 HD13 ILE A 82 113.224 6.768 -4.085 1.00 0.00 H new ATOM 1386 N LEU A 83 114.615 12.495 -2.594 1.00 0.00 N ATOM 1387 CA LEU A 83 114.734 13.851 -3.212 1.00 0.00 C ATOM 1388 C LEU A 83 115.666 13.799 -4.426 1.00 0.00 C ATOM 1389 O LEU A 83 116.842 13.503 -4.294 1.00 0.00 O ATOM 1390 CB LEU A 83 115.331 14.744 -2.120 1.00 0.00 C ATOM 1391 CG LEU A 83 114.349 14.878 -0.952 1.00 0.00 C ATOM 1392 CD1 LEU A 83 115.053 15.546 0.231 1.00 0.00 C ATOM 1393 CD2 LEU A 83 113.156 15.737 -1.379 1.00 0.00 C ATOM 0 H LEU A 83 115.447 12.182 -2.094 1.00 0.00 H new ATOM 0 HA LEU A 83 113.772 14.226 -3.561 1.00 0.00 H new ATOM 0 HB2 LEU A 83 116.271 14.321 -1.767 1.00 0.00 H new ATOM 0 HB3 LEU A 83 115.558 15.729 -2.529 1.00 0.00 H new ATOM 0 HG LEU A 83 113.999 13.888 -0.660 1.00 0.00 H new ATOM 0 HD11 LEU A 83 114.355 15.642 1.063 1.00 0.00 H new ATOM 0 HD12 LEU A 83 115.903 14.938 0.539 1.00 0.00 H new ATOM 0 HD13 LEU A 83 115.403 16.535 -0.065 1.00 0.00 H new ATOM 0 HD21 LEU A 83 112.459 15.831 -0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 83 113.507 16.727 -1.672 1.00 0.00 H new ATOM 0 HD23 LEU A 83 112.652 15.266 -2.223 1.00 0.00 H new ATOM 1405 N ILE A 84 115.140 14.085 -5.597 1.00 0.00 N ATOM 1406 CA ILE A 84 115.980 14.136 -6.835 1.00 0.00 C ATOM 1407 C ILE A 84 115.687 15.457 -7.557 1.00 0.00 C ATOM 1408 O ILE A 84 114.552 15.731 -7.904 1.00 0.00 O ATOM 1409 CB ILE A 84 115.561 12.921 -7.686 1.00 0.00 C ATOM 1410 CG1 ILE A 84 115.814 11.618 -6.916 1.00 0.00 C ATOM 1411 CG2 ILE A 84 116.374 12.875 -8.986 1.00 0.00 C ATOM 1412 CD1 ILE A 84 115.081 10.462 -7.602 1.00 0.00 C ATOM 0 H ILE A 84 114.151 14.287 -5.746 1.00 0.00 H new ATOM 0 HA ILE A 84 117.050 14.095 -6.630 1.00 0.00 H new ATOM 0 HB ILE A 84 114.500 13.021 -7.913 1.00 0.00 H new ATOM 0 HG12 ILE A 84 116.883 11.410 -6.875 1.00 0.00 H new ATOM 0 HG13 ILE A 84 115.470 11.720 -5.887 1.00 0.00 H new ATOM 0 HG21 ILE A 84 116.067 12.012 -9.577 1.00 0.00 H new ATOM 0 HG22 ILE A 84 116.198 13.787 -9.557 1.00 0.00 H new ATOM 0 HG23 ILE A 84 117.435 12.794 -8.749 1.00 0.00 H new ATOM 0 HD11 ILE A 84 115.263 9.538 -7.052 1.00 0.00 H new ATOM 0 HD12 ILE A 84 114.011 10.669 -7.619 1.00 0.00 H new ATOM 0 HD13 ILE A 84 115.446 10.354 -8.623 1.00 0.00 H new ATOM 1424 N GLY A 85 116.700 16.267 -7.775 1.00 0.00 N ATOM 1425 CA GLY A 85 116.507 17.596 -8.437 1.00 0.00 C ATOM 1426 C GLY A 85 115.637 18.499 -7.554 1.00 0.00 C ATOM 1427 O GLY A 85 115.997 18.794 -6.427 1.00 0.00 O ATOM 0 H GLY A 85 117.665 16.058 -7.518 1.00 0.00 H new ATOM 0 HA2 GLY A 85 117.474 18.068 -8.613 1.00 0.00 H new ATOM 0 HA3 GLY A 85 116.036 17.462 -9.411 1.00 0.00 H new ATOM 1431 N ASN A 86 114.508 18.931 -8.067 1.00 0.00 N ATOM 1432 CA ASN A 86 113.547 19.743 -7.258 1.00 0.00 C ATOM 1433 C ASN A 86 112.256 18.968 -6.953 1.00 0.00 C ATOM 1434 O ASN A 86 111.263 19.571 -6.584 1.00 0.00 O ATOM 1435 CB ASN A 86 113.239 20.964 -8.127 1.00 0.00 C ATOM 1436 CG ASN A 86 114.486 21.842 -8.245 1.00 0.00 C ATOM 1437 OD1 ASN A 86 115.223 22.003 -7.292 1.00 0.00 O ATOM 1438 ND2 ASN A 86 114.755 22.421 -9.383 1.00 0.00 N ATOM 0 H ASN A 86 114.210 18.752 -9.026 1.00 0.00 H new ATOM 0 HA ASN A 86 113.972 20.008 -6.290 1.00 0.00 H new ATOM 0 HB2 ASN A 86 112.913 20.645 -9.117 1.00 0.00 H new ATOM 0 HB3 ASN A 86 112.420 21.536 -7.690 1.00 0.00 H new ATOM 0 HD21 ASN A 86 115.584 23.009 -9.473 1.00 0.00 H new ATOM 0 HD22 ASN A 86 114.136 22.286 -10.183 1.00 0.00 H new ATOM 1445 N LYS A 87 112.257 17.658 -7.101 1.00 0.00 N ATOM 1446 CA LYS A 87 111.005 16.858 -6.922 1.00 0.00 C ATOM 1447 C LYS A 87 111.177 15.838 -5.791 1.00 0.00 C ATOM 1448 O LYS A 87 112.247 15.284 -5.616 1.00 0.00 O ATOM 1449 CB LYS A 87 110.794 16.139 -8.257 1.00 0.00 C ATOM 1450 CG LYS A 87 110.492 17.159 -9.360 1.00 0.00 C ATOM 1451 CD LYS A 87 109.091 17.740 -9.153 1.00 0.00 C ATOM 1452 CE LYS A 87 108.713 18.602 -10.360 1.00 0.00 C ATOM 1453 NZ LYS A 87 108.201 17.639 -11.374 1.00 0.00 N ATOM 0 H LYS A 87 113.082 17.109 -7.340 1.00 0.00 H new ATOM 0 HA LYS A 87 110.155 17.487 -6.656 1.00 0.00 H new ATOM 0 HB2 LYS A 87 111.684 15.565 -8.515 1.00 0.00 H new ATOM 0 HB3 LYS A 87 109.971 15.430 -8.171 1.00 0.00 H new ATOM 0 HG2 LYS A 87 111.234 17.957 -9.344 1.00 0.00 H new ATOM 0 HG3 LYS A 87 110.558 16.682 -10.338 1.00 0.00 H new ATOM 0 HD2 LYS A 87 108.367 16.935 -9.026 1.00 0.00 H new ATOM 0 HD3 LYS A 87 109.065 18.339 -8.242 1.00 0.00 H new ATOM 0 HE2 LYS A 87 107.954 19.339 -10.097 1.00 0.00 H new ATOM 0 HE3 LYS A 87 109.575 19.152 -10.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 108.527 17.924 -12.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 108.556 16.686 -11.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 107.161 17.634 -11.354 1.00 0.00 H new ATOM 1467 N LYS A 88 110.129 15.597 -5.036 1.00 0.00 N ATOM 1468 CA LYS A 88 110.179 14.587 -3.931 1.00 0.00 C ATOM 1469 C LYS A 88 109.091 13.525 -4.131 1.00 0.00 C ATOM 1470 O LYS A 88 107.936 13.851 -4.342 1.00 0.00 O ATOM 1471 CB LYS A 88 109.980 15.375 -2.624 1.00 0.00 C ATOM 1472 CG LYS A 88 108.635 16.115 -2.602 1.00 0.00 C ATOM 1473 CD LYS A 88 108.517 16.914 -1.302 1.00 0.00 C ATOM 1474 CE LYS A 88 107.081 17.422 -1.144 1.00 0.00 C ATOM 1475 NZ LYS A 88 107.184 18.575 -0.208 1.00 0.00 N ATOM 0 H LYS A 88 109.229 16.065 -5.141 1.00 0.00 H new ATOM 0 HA LYS A 88 111.127 14.050 -3.910 1.00 0.00 H new ATOM 0 HB2 LYS A 88 110.033 14.692 -1.776 1.00 0.00 H new ATOM 0 HB3 LYS A 88 110.792 16.093 -2.506 1.00 0.00 H new ATOM 0 HG2 LYS A 88 108.560 16.783 -3.460 1.00 0.00 H new ATOM 0 HG3 LYS A 88 107.814 15.403 -2.680 1.00 0.00 H new ATOM 0 HD2 LYS A 88 108.788 16.288 -0.452 1.00 0.00 H new ATOM 0 HD3 LYS A 88 109.212 17.754 -1.314 1.00 0.00 H new ATOM 0 HE2 LYS A 88 106.662 17.728 -2.103 1.00 0.00 H new ATOM 0 HE3 LYS A 88 106.429 16.645 -0.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 106.239 18.979 -0.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 107.580 18.252 0.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 107.806 19.301 -0.618 1.00 0.00 H new ATOM 1489 N ILE A 89 109.465 12.268 -4.066 1.00 0.00 N ATOM 1490 CA ILE A 89 108.479 11.151 -4.235 1.00 0.00 C ATOM 1491 C ILE A 89 108.582 10.215 -3.023 1.00 0.00 C ATOM 1492 O ILE A 89 109.663 9.992 -2.507 1.00 0.00 O ATOM 1493 CB ILE A 89 108.873 10.432 -5.540 1.00 0.00 C ATOM 1494 CG1 ILE A 89 108.804 11.402 -6.727 1.00 0.00 C ATOM 1495 CG2 ILE A 89 107.915 9.267 -5.819 1.00 0.00 C ATOM 1496 CD1 ILE A 89 109.540 10.800 -7.926 1.00 0.00 C ATOM 0 H ILE A 89 110.425 11.965 -3.901 1.00 0.00 H new ATOM 0 HA ILE A 89 107.448 11.500 -4.294 1.00 0.00 H new ATOM 0 HB ILE A 89 109.890 10.059 -5.420 1.00 0.00 H new ATOM 0 HG12 ILE A 89 107.764 11.600 -6.988 1.00 0.00 H new ATOM 0 HG13 ILE A 89 109.252 12.358 -6.455 1.00 0.00 H new ATOM 0 HG21 ILE A 89 108.207 8.770 -6.744 1.00 0.00 H new ATOM 0 HG22 ILE A 89 107.958 8.555 -4.995 1.00 0.00 H new ATOM 0 HG23 ILE A 89 106.898 9.647 -5.917 1.00 0.00 H new ATOM 0 HD11 ILE A 89 109.490 11.490 -8.768 1.00 0.00 H new ATOM 0 HD12 ILE A 89 110.583 10.625 -7.662 1.00 0.00 H new ATOM 0 HD13 ILE A 89 109.072 9.855 -8.203 1.00 0.00 H new ATOM 1508 N ASP A 90 107.468 9.680 -2.579 1.00 0.00 N ATOM 1509 CA ASP A 90 107.480 8.720 -1.425 1.00 0.00 C ATOM 1510 C ASP A 90 108.035 7.366 -1.874 1.00 0.00 C ATOM 1511 O ASP A 90 107.708 6.891 -2.948 1.00 0.00 O ATOM 1512 CB ASP A 90 106.022 8.573 -0.974 1.00 0.00 C ATOM 1513 CG ASP A 90 105.527 9.903 -0.403 1.00 0.00 C ATOM 1514 OD1 ASP A 90 105.619 10.897 -1.104 1.00 0.00 O ATOM 1515 OD2 ASP A 90 105.061 9.905 0.724 1.00 0.00 O ATOM 0 H ASP A 90 106.544 9.868 -2.969 1.00 0.00 H new ATOM 0 HA ASP A 90 108.111 9.081 -0.613 1.00 0.00 H new ATOM 0 HB2 ASP A 90 105.399 8.272 -1.816 1.00 0.00 H new ATOM 0 HB3 ASP A 90 105.941 7.789 -0.221 1.00 0.00 H new ATOM 1520 N GLY A 91 108.864 6.755 -1.059 1.00 0.00 N ATOM 1521 CA GLY A 91 109.428 5.411 -1.388 1.00 0.00 C ATOM 1522 C GLY A 91 109.654 4.632 -0.091 1.00 0.00 C ATOM 1523 O GLY A 91 109.133 5.000 0.947 1.00 0.00 O ATOM 0 H GLY A 91 109.176 7.139 -0.167 1.00 0.00 H new ATOM 0 HA2 GLY A 91 108.745 4.866 -2.040 1.00 0.00 H new ATOM 0 HA3 GLY A 91 110.367 5.520 -1.930 1.00 0.00 H new ATOM 1527 N ALA A 92 110.426 3.571 -0.151 1.00 0.00 N ATOM 1528 CA ALA A 92 110.690 2.740 1.065 1.00 0.00 C ATOM 1529 C ALA A 92 111.958 1.903 0.875 1.00 0.00 C ATOM 1530 O ALA A 92 112.352 1.623 -0.241 1.00 0.00 O ATOM 1531 CB ALA A 92 109.461 1.839 1.203 1.00 0.00 C ATOM 0 H ALA A 92 110.888 3.244 -1.000 1.00 0.00 H new ATOM 0 HA ALA A 92 110.849 3.350 1.955 1.00 0.00 H new ATOM 0 HB1 ALA A 92 109.577 1.196 2.075 1.00 0.00 H new ATOM 0 HB2 ALA A 92 108.570 2.455 1.323 1.00 0.00 H new ATOM 0 HB3 ALA A 92 109.359 1.223 0.309 1.00 0.00 H new ATOM 1537 N ILE A 93 112.583 1.510 1.961 1.00 0.00 N ATOM 1538 CA ILE A 93 113.790 0.628 1.886 1.00 0.00 C ATOM 1539 C ILE A 93 113.402 -0.767 2.392 1.00 0.00 C ATOM 1540 O ILE A 93 112.645 -0.889 3.340 1.00 0.00 O ATOM 1541 CB ILE A 93 114.854 1.270 2.798 1.00 0.00 C ATOM 1542 CG1 ILE A 93 115.177 2.696 2.334 1.00 0.00 C ATOM 1543 CG2 ILE A 93 116.151 0.451 2.761 1.00 0.00 C ATOM 1544 CD1 ILE A 93 115.937 3.435 3.439 1.00 0.00 C ATOM 0 H ILE A 93 112.303 1.767 2.908 1.00 0.00 H new ATOM 0 HA ILE A 93 114.175 0.527 0.871 1.00 0.00 H new ATOM 0 HB ILE A 93 114.451 1.293 3.810 1.00 0.00 H new ATOM 0 HG12 ILE A 93 115.776 2.666 1.424 1.00 0.00 H new ATOM 0 HG13 ILE A 93 114.257 3.228 2.093 1.00 0.00 H new ATOM 0 HG21 ILE A 93 116.894 0.916 3.410 1.00 0.00 H new ATOM 0 HG22 ILE A 93 115.951 -0.563 3.107 1.00 0.00 H new ATOM 0 HG23 ILE A 93 116.531 0.418 1.740 1.00 0.00 H new ATOM 0 HD11 ILE A 93 116.166 4.448 3.108 1.00 0.00 H new ATOM 0 HD12 ILE A 93 115.322 3.477 4.338 1.00 0.00 H new ATOM 0 HD13 ILE A 93 116.865 2.907 3.658 1.00 0.00 H new ATOM 1556 N VAL A 94 113.921 -1.798 1.765 1.00 0.00 N ATOM 1557 CA VAL A 94 113.544 -3.201 2.134 1.00 0.00 C ATOM 1558 C VAL A 94 114.810 -3.981 2.517 1.00 0.00 C ATOM 1559 O VAL A 94 115.792 -3.962 1.796 1.00 0.00 O ATOM 1560 CB VAL A 94 112.871 -3.801 0.884 1.00 0.00 C ATOM 1561 CG1 VAL A 94 112.415 -5.239 1.157 1.00 0.00 C ATOM 1562 CG2 VAL A 94 111.635 -2.978 0.495 1.00 0.00 C ATOM 0 H VAL A 94 114.597 -1.725 1.005 1.00 0.00 H new ATOM 0 HA VAL A 94 112.868 -3.242 2.988 1.00 0.00 H new ATOM 0 HB VAL A 94 113.602 -3.787 0.076 1.00 0.00 H new ATOM 0 HG11 VAL A 94 111.942 -5.647 0.263 1.00 0.00 H new ATOM 0 HG12 VAL A 94 113.278 -5.850 1.422 1.00 0.00 H new ATOM 0 HG13 VAL A 94 111.700 -5.244 1.980 1.00 0.00 H new ATOM 0 HG21 VAL A 94 111.171 -3.414 -0.389 1.00 0.00 H new ATOM 0 HG22 VAL A 94 110.921 -2.982 1.319 1.00 0.00 H new ATOM 0 HG23 VAL A 94 111.934 -1.952 0.279 1.00 0.00 H new ATOM 1572 N VAL A 95 114.777 -4.657 3.643 1.00 0.00 N ATOM 1573 CA VAL A 95 115.925 -5.519 4.068 1.00 0.00 C ATOM 1574 C VAL A 95 115.362 -6.811 4.697 1.00 0.00 C ATOM 1575 O VAL A 95 114.551 -6.713 5.598 1.00 0.00 O ATOM 1576 CB VAL A 95 116.709 -4.688 5.103 1.00 0.00 C ATOM 1577 CG1 VAL A 95 117.921 -5.475 5.616 1.00 0.00 C ATOM 1578 CG2 VAL A 95 117.219 -3.389 4.467 1.00 0.00 C ATOM 0 H VAL A 95 113.991 -4.647 4.293 1.00 0.00 H new ATOM 0 HA VAL A 95 116.573 -5.808 3.241 1.00 0.00 H new ATOM 0 HB VAL A 95 116.034 -4.462 5.929 1.00 0.00 H new ATOM 0 HG11 VAL A 95 118.463 -4.874 6.346 1.00 0.00 H new ATOM 0 HG12 VAL A 95 117.583 -6.398 6.086 1.00 0.00 H new ATOM 0 HG13 VAL A 95 118.580 -5.713 4.781 1.00 0.00 H new ATOM 0 HG21 VAL A 95 117.771 -2.812 5.210 1.00 0.00 H new ATOM 0 HG22 VAL A 95 117.876 -3.627 3.631 1.00 0.00 H new ATOM 0 HG23 VAL A 95 116.373 -2.803 4.108 1.00 0.00 H new ATOM 1588 N PRO A 96 115.784 -7.980 4.230 1.00 0.00 N ATOM 1589 CA PRO A 96 115.267 -9.271 4.795 1.00 0.00 C ATOM 1590 C PRO A 96 115.521 -9.377 6.307 1.00 0.00 C ATOM 1591 O PRO A 96 116.423 -8.746 6.828 1.00 0.00 O ATOM 1592 CB PRO A 96 116.071 -10.332 4.041 1.00 0.00 C ATOM 1593 CG PRO A 96 116.426 -9.660 2.762 1.00 0.00 C ATOM 1594 CD PRO A 96 116.756 -8.250 3.148 1.00 0.00 C ATOM 0 HA PRO A 96 114.188 -9.373 4.676 1.00 0.00 H new ATOM 0 HB2 PRO A 96 116.960 -10.631 4.597 1.00 0.00 H new ATOM 0 HB3 PRO A 96 115.483 -11.234 3.870 1.00 0.00 H new ATOM 0 HG2 PRO A 96 117.274 -10.147 2.282 1.00 0.00 H new ATOM 0 HG3 PRO A 96 115.597 -9.693 2.055 1.00 0.00 H new ATOM 0 HD2 PRO A 96 117.785 -8.154 3.494 1.00 0.00 H new ATOM 0 HD3 PRO A 96 116.635 -7.561 2.312 1.00 0.00 H new ATOM 1602 N LYS A 97 114.730 -10.171 6.995 1.00 0.00 N ATOM 1603 CA LYS A 97 114.889 -10.332 8.482 1.00 0.00 C ATOM 1604 C LYS A 97 116.246 -10.961 8.819 1.00 0.00 C ATOM 1605 O LYS A 97 116.837 -10.644 9.836 1.00 0.00 O ATOM 1606 CB LYS A 97 113.751 -11.254 8.938 1.00 0.00 C ATOM 1607 CG LYS A 97 113.678 -11.271 10.468 1.00 0.00 C ATOM 1608 CD LYS A 97 112.622 -12.282 10.917 1.00 0.00 C ATOM 1609 CE LYS A 97 112.435 -12.186 12.434 1.00 0.00 C ATOM 1610 NZ LYS A 97 111.866 -13.503 12.834 1.00 0.00 N ATOM 0 H LYS A 97 113.974 -10.720 6.587 1.00 0.00 H new ATOM 0 HA LYS A 97 114.849 -9.366 8.986 1.00 0.00 H new ATOM 0 HB2 LYS A 97 112.804 -10.910 8.523 1.00 0.00 H new ATOM 0 HB3 LYS A 97 113.916 -12.264 8.561 1.00 0.00 H new ATOM 0 HG2 LYS A 97 114.650 -11.534 10.886 1.00 0.00 H new ATOM 0 HG3 LYS A 97 113.428 -10.278 10.842 1.00 0.00 H new ATOM 0 HD2 LYS A 97 111.677 -12.086 10.410 1.00 0.00 H new ATOM 0 HD3 LYS A 97 112.929 -13.291 10.641 1.00 0.00 H new ATOM 0 HE2 LYS A 97 113.383 -11.996 12.938 1.00 0.00 H new ATOM 0 HE3 LYS A 97 111.764 -11.369 12.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 111.709 -13.516 13.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 110.961 -13.654 12.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 112.530 -14.261 12.576 1.00 0.00 H new ATOM 1624 N LYS A 98 116.730 -11.842 7.971 1.00 0.00 N ATOM 1625 CA LYS A 98 118.028 -12.541 8.242 1.00 0.00 C ATOM 1626 C LYS A 98 119.198 -11.699 7.726 1.00 0.00 C ATOM 1627 O LYS A 98 119.317 -11.466 6.535 1.00 0.00 O ATOM 1628 CB LYS A 98 117.951 -13.871 7.488 1.00 0.00 C ATOM 1629 CG LYS A 98 119.112 -14.769 7.916 1.00 0.00 C ATOM 1630 CD LYS A 98 119.061 -16.081 7.130 1.00 0.00 C ATOM 1631 CE LYS A 98 120.091 -17.059 7.701 1.00 0.00 C ATOM 1632 NZ LYS A 98 121.399 -16.600 7.157 1.00 0.00 N ATOM 0 H LYS A 98 116.277 -12.108 7.097 1.00 0.00 H new ATOM 0 HA LYS A 98 118.189 -12.697 9.309 1.00 0.00 H new ATOM 0 HB2 LYS A 98 117.001 -14.364 7.695 1.00 0.00 H new ATOM 0 HB3 LYS A 98 117.991 -13.695 6.413 1.00 0.00 H new ATOM 0 HG2 LYS A 98 120.061 -14.263 7.738 1.00 0.00 H new ATOM 0 HG3 LYS A 98 119.054 -14.971 8.985 1.00 0.00 H new ATOM 0 HD2 LYS A 98 118.062 -16.513 7.188 1.00 0.00 H new ATOM 0 HD3 LYS A 98 119.267 -15.894 6.076 1.00 0.00 H new ATOM 0 HE2 LYS A 98 120.089 -17.043 8.791 1.00 0.00 H new ATOM 0 HE3 LYS A 98 119.874 -18.083 7.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 122.157 -17.222 7.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 121.373 -16.632 6.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 121.582 -15.625 7.469 1.00 0.00 H new ATOM 1646 N THR A 99 120.051 -11.249 8.619 1.00 0.00 N ATOM 1647 CA THR A 99 121.232 -10.424 8.219 1.00 0.00 C ATOM 1648 C THR A 99 122.505 -10.978 8.868 1.00 0.00 C ATOM 1649 O THR A 99 122.476 -11.423 10.002 1.00 0.00 O ATOM 1650 CB THR A 99 120.929 -9.018 8.741 1.00 0.00 C ATOM 1651 OG1 THR A 99 119.628 -8.632 8.322 1.00 0.00 O ATOM 1652 CG2 THR A 99 121.959 -8.031 8.190 1.00 0.00 C ATOM 0 H THR A 99 119.975 -11.423 9.621 1.00 0.00 H new ATOM 0 HA THR A 99 121.396 -10.430 7.141 1.00 0.00 H new ATOM 0 HB THR A 99 120.978 -9.016 9.830 1.00 0.00 H new ATOM 0 HG1 THR A 99 119.430 -7.732 8.656 1.00 0.00 H new ATOM 0 HG21 THR A 99 121.740 -7.031 8.564 1.00 0.00 H new ATOM 0 HG22 THR A 99 122.957 -8.329 8.512 1.00 0.00 H new ATOM 0 HG23 THR A 99 121.915 -8.029 7.101 1.00 0.00 H new ATOM 1660 N TYR A 100 123.607 -10.947 8.152 1.00 0.00 N ATOM 1661 CA TYR A 100 124.901 -11.462 8.700 1.00 0.00 C ATOM 1662 C TYR A 100 125.700 -10.317 9.329 1.00 0.00 C ATOM 1663 O TYR A 100 126.153 -10.424 10.456 1.00 0.00 O ATOM 1664 CB TYR A 100 125.652 -12.041 7.499 1.00 0.00 C ATOM 1665 CG TYR A 100 124.930 -13.184 6.826 1.00 0.00 C ATOM 1666 CD1 TYR A 100 125.004 -14.500 7.380 1.00 0.00 C ATOM 1667 CD2 TYR A 100 124.172 -12.951 5.637 1.00 0.00 C ATOM 1668 CE1 TYR A 100 124.322 -15.582 6.743 1.00 0.00 C ATOM 1669 CE2 TYR A 100 123.488 -14.033 5.001 1.00 0.00 C ATOM 1670 CZ TYR A 100 123.564 -15.349 5.554 1.00 0.00 C ATOM 1671 OH TYR A 100 122.904 -16.394 4.939 1.00 0.00 O ATOM 0 H TYR A 100 123.663 -10.582 7.201 1.00 0.00 H new ATOM 0 HA TYR A 100 124.746 -12.211 9.477 1.00 0.00 H new ATOM 0 HB2 TYR A 100 125.819 -11.248 6.770 1.00 0.00 H new ATOM 0 HB3 TYR A 100 126.633 -12.385 7.826 1.00 0.00 H new ATOM 0 HD1 TYR A 100 125.575 -14.676 8.280 1.00 0.00 H new ATOM 0 HD2 TYR A 100 124.116 -11.957 5.219 1.00 0.00 H new ATOM 0 HE1 TYR A 100 124.379 -16.576 7.160 1.00 0.00 H new ATOM 0 HE2 TYR A 100 122.914 -13.856 4.103 1.00 0.00 H new ATOM 0 HH TYR A 100 122.436 -16.063 4.144 1.00 0.00 H new ATOM 1681 N HIS A 101 125.867 -9.234 8.605 1.00 0.00 N ATOM 1682 CA HIS A 101 126.641 -8.064 9.122 1.00 0.00 C ATOM 1683 C HIS A 101 126.068 -6.761 8.556 1.00 0.00 C ATOM 1684 O HIS A 101 125.107 -6.785 7.807 1.00 0.00 O ATOM 1685 CB HIS A 101 128.070 -8.285 8.625 1.00 0.00 C ATOM 1686 CG HIS A 101 129.111 -7.584 9.453 1.00 0.00 C ATOM 1687 ND1 HIS A 101 129.668 -6.374 9.072 1.00 0.00 N ATOM 1688 CD2 HIS A 101 129.708 -7.912 10.647 1.00 0.00 C ATOM 1689 CE1 HIS A 101 130.555 -6.019 10.018 1.00 0.00 C ATOM 1690 NE2 HIS A 101 130.619 -6.920 11.001 1.00 0.00 N ATOM 0 H HIS A 101 125.493 -9.112 7.664 1.00 0.00 H new ATOM 0 HA HIS A 101 126.596 -7.984 10.208 1.00 0.00 H new ATOM 0 HB2 HIS A 101 128.282 -9.354 8.619 1.00 0.00 H new ATOM 0 HB3 HIS A 101 128.145 -7.939 7.594 1.00 0.00 H new ATOM 0 HD2 HIS A 101 129.502 -8.803 11.222 1.00 0.00 H new ATOM 0 HE1 HIS A 101 131.144 -5.115 9.986 1.00 0.00 H new ATOM 0 HE2 HIS A 101 131.209 -6.889 11.833 1.00 0.00 H new ATOM 1698 N SER A 102 126.654 -5.641 8.914 1.00 0.00 N ATOM 1699 CA SER A 102 126.185 -4.321 8.385 1.00 0.00 C ATOM 1700 C SER A 102 126.951 -3.968 7.108 1.00 0.00 C ATOM 1701 O SER A 102 128.121 -4.286 6.982 1.00 0.00 O ATOM 1702 CB SER A 102 126.484 -3.306 9.491 1.00 0.00 C ATOM 1703 OG SER A 102 127.890 -3.170 9.638 1.00 0.00 O ATOM 0 H SER A 102 127.445 -5.586 9.556 1.00 0.00 H new ATOM 0 HA SER A 102 125.125 -4.334 8.131 1.00 0.00 H new ATOM 0 HB2 SER A 102 126.038 -2.342 9.246 1.00 0.00 H new ATOM 0 HB3 SER A 102 126.039 -3.633 10.431 1.00 0.00 H new ATOM 0 HG SER A 102 128.123 -2.220 9.693 1.00 0.00 H new ATOM 1709 N SER A 103 126.295 -3.315 6.175 1.00 0.00 N ATOM 1710 CA SER A 103 126.933 -2.989 4.864 1.00 0.00 C ATOM 1711 C SER A 103 126.640 -1.538 4.469 1.00 0.00 C ATOM 1712 O SER A 103 125.897 -0.849 5.146 1.00 0.00 O ATOM 1713 CB SER A 103 126.295 -3.954 3.864 1.00 0.00 C ATOM 1714 OG SER A 103 126.608 -5.289 4.236 1.00 0.00 O ATOM 0 H SER A 103 125.332 -2.992 6.271 1.00 0.00 H new ATOM 0 HA SER A 103 128.018 -3.091 4.900 1.00 0.00 H new ATOM 0 HB2 SER A 103 125.214 -3.814 3.844 1.00 0.00 H new ATOM 0 HB3 SER A 103 126.662 -3.749 2.858 1.00 0.00 H new ATOM 0 HG SER A 103 126.199 -5.911 3.598 1.00 0.00 H new ATOM 1720 N GLU A 104 127.227 -1.086 3.384 1.00 0.00 N ATOM 1721 CA GLU A 104 126.962 0.295 2.874 1.00 0.00 C ATOM 1722 C GLU A 104 126.096 0.255 1.609 1.00 0.00 C ATOM 1723 O GLU A 104 126.177 1.149 0.787 1.00 0.00 O ATOM 1724 CB GLU A 104 128.348 0.868 2.552 1.00 0.00 C ATOM 1725 CG GLU A 104 128.922 1.574 3.783 1.00 0.00 C ATOM 1726 CD GLU A 104 130.358 2.019 3.501 1.00 0.00 C ATOM 1727 OE1 GLU A 104 131.107 1.230 2.947 1.00 0.00 O ATOM 1728 OE2 GLU A 104 130.686 3.144 3.841 1.00 0.00 O ATOM 0 H GLU A 104 127.887 -1.625 2.824 1.00 0.00 H new ATOM 0 HA GLU A 104 126.421 0.899 3.602 1.00 0.00 H new ATOM 0 HB2 GLU A 104 129.017 0.067 2.237 1.00 0.00 H new ATOM 0 HB3 GLU A 104 128.276 1.569 1.721 1.00 0.00 H new ATOM 0 HG2 GLU A 104 128.307 2.437 4.038 1.00 0.00 H new ATOM 0 HG3 GLU A 104 128.901 0.903 4.642 1.00 0.00 H new ATOM 1735 N ILE A 105 125.279 -0.764 1.452 1.00 0.00 N ATOM 1736 CA ILE A 105 124.402 -0.874 0.242 1.00 0.00 C ATOM 1737 C ILE A 105 122.939 -0.968 0.692 1.00 0.00 C ATOM 1738 O ILE A 105 122.597 -1.800 1.513 1.00 0.00 O ATOM 1739 CB ILE A 105 124.841 -2.158 -0.493 1.00 0.00 C ATOM 1740 CG1 ILE A 105 126.347 -2.132 -0.838 1.00 0.00 C ATOM 1741 CG2 ILE A 105 124.028 -2.340 -1.785 1.00 0.00 C ATOM 1742 CD1 ILE A 105 126.714 -0.928 -1.719 1.00 0.00 C ATOM 0 H ILE A 105 125.183 -1.530 2.118 1.00 0.00 H new ATOM 0 HA ILE A 105 124.491 -0.010 -0.416 1.00 0.00 H new ATOM 0 HB ILE A 105 124.656 -2.995 0.180 1.00 0.00 H new ATOM 0 HG12 ILE A 105 126.929 -2.099 0.083 1.00 0.00 H new ATOM 0 HG13 ILE A 105 126.617 -3.054 -1.353 1.00 0.00 H new ATOM 0 HG21 ILE A 105 124.349 -3.250 -2.292 1.00 0.00 H new ATOM 0 HG22 ILE A 105 122.968 -2.416 -1.541 1.00 0.00 H new ATOM 0 HG23 ILE A 105 124.189 -1.484 -2.440 1.00 0.00 H new ATOM 0 HD11 ILE A 105 127.782 -0.949 -1.937 1.00 0.00 H new ATOM 0 HD12 ILE A 105 126.152 -0.975 -2.652 1.00 0.00 H new ATOM 0 HD13 ILE A 105 126.469 -0.005 -1.194 1.00 0.00 H new ATOM 1754 N ILE A 106 122.090 -0.120 0.157 1.00 0.00 N ATOM 1755 CA ILE A 106 120.628 -0.168 0.486 1.00 0.00 C ATOM 1756 C ILE A 106 119.801 -0.278 -0.800 1.00 0.00 C ATOM 1757 O ILE A 106 120.155 0.299 -1.812 1.00 0.00 O ATOM 1758 CB ILE A 106 120.307 1.133 1.244 1.00 0.00 C ATOM 1759 CG1 ILE A 106 120.676 2.372 0.414 1.00 0.00 C ATOM 1760 CG2 ILE A 106 121.083 1.164 2.562 1.00 0.00 C ATOM 1761 CD1 ILE A 106 120.033 3.615 1.034 1.00 0.00 C ATOM 0 H ILE A 106 122.352 0.613 -0.502 1.00 0.00 H new ATOM 0 HA ILE A 106 120.383 -1.037 1.097 1.00 0.00 H new ATOM 0 HB ILE A 106 119.234 1.154 1.436 1.00 0.00 H new ATOM 0 HG12 ILE A 106 121.759 2.489 0.379 1.00 0.00 H new ATOM 0 HG13 ILE A 106 120.335 2.248 -0.614 1.00 0.00 H new ATOM 0 HG21 ILE A 106 120.855 2.086 3.097 1.00 0.00 H new ATOM 0 HG22 ILE A 106 120.796 0.309 3.174 1.00 0.00 H new ATOM 0 HG23 ILE A 106 122.152 1.120 2.356 1.00 0.00 H new ATOM 0 HD11 ILE A 106 120.296 4.493 0.444 1.00 0.00 H new ATOM 0 HD12 ILE A 106 118.950 3.497 1.046 1.00 0.00 H new ATOM 0 HD13 ILE A 106 120.395 3.742 2.054 1.00 0.00 H new ATOM 1773 N GLU A 107 118.712 -1.013 -0.754 1.00 0.00 N ATOM 1774 CA GLU A 107 117.829 -1.162 -1.951 1.00 0.00 C ATOM 1775 C GLU A 107 116.464 -0.523 -1.679 1.00 0.00 C ATOM 1776 O GLU A 107 115.844 -0.790 -0.665 1.00 0.00 O ATOM 1777 CB GLU A 107 117.682 -2.670 -2.162 1.00 0.00 C ATOM 1778 CG GLU A 107 118.875 -3.193 -2.963 1.00 0.00 C ATOM 1779 CD GLU A 107 118.717 -4.697 -3.202 1.00 0.00 C ATOM 1780 OE1 GLU A 107 118.355 -5.394 -2.267 1.00 0.00 O ATOM 1781 OE2 GLU A 107 118.962 -5.127 -4.318 1.00 0.00 O ATOM 0 H GLU A 107 118.397 -1.520 0.073 1.00 0.00 H new ATOM 0 HA GLU A 107 118.244 -0.671 -2.831 1.00 0.00 H new ATOM 0 HB2 GLU A 107 117.626 -3.179 -1.200 1.00 0.00 H new ATOM 0 HB3 GLU A 107 116.753 -2.885 -2.691 1.00 0.00 H new ATOM 0 HG2 GLU A 107 118.943 -2.669 -3.916 1.00 0.00 H new ATOM 0 HG3 GLU A 107 119.802 -2.996 -2.424 1.00 0.00 H new ATOM 1788 N ILE A 108 116.007 0.310 -2.586 1.00 0.00 N ATOM 1789 CA ILE A 108 114.747 1.087 -2.363 1.00 0.00 C ATOM 1790 C ILE A 108 113.685 0.648 -3.383 1.00 0.00 C ATOM 1791 O ILE A 108 114.010 0.229 -4.477 1.00 0.00 O ATOM 1792 CB ILE A 108 115.146 2.565 -2.556 1.00 0.00 C ATOM 1793 CG1 ILE A 108 116.176 2.970 -1.495 1.00 0.00 C ATOM 1794 CG2 ILE A 108 113.927 3.487 -2.421 1.00 0.00 C ATOM 1795 CD1 ILE A 108 116.843 4.287 -1.899 1.00 0.00 C ATOM 0 H ILE A 108 116.461 0.486 -3.482 1.00 0.00 H new ATOM 0 HA ILE A 108 114.316 0.926 -1.375 1.00 0.00 H new ATOM 0 HB ILE A 108 115.567 2.668 -3.556 1.00 0.00 H new ATOM 0 HG12 ILE A 108 115.690 3.080 -0.526 1.00 0.00 H new ATOM 0 HG13 ILE A 108 116.928 2.188 -1.387 1.00 0.00 H new ATOM 0 HG21 ILE A 108 114.237 4.523 -2.561 1.00 0.00 H new ATOM 0 HG22 ILE A 108 113.187 3.224 -3.176 1.00 0.00 H new ATOM 0 HG23 ILE A 108 113.491 3.370 -1.429 1.00 0.00 H new ATOM 0 HD11 ILE A 108 117.574 4.572 -1.142 1.00 0.00 H new ATOM 0 HD12 ILE A 108 117.344 4.162 -2.859 1.00 0.00 H new ATOM 0 HD13 ILE A 108 116.086 5.067 -1.984 1.00 0.00 H new ATOM 1807 N ILE A 109 112.430 0.749 -3.013 1.00 0.00 N ATOM 1808 CA ILE A 109 111.310 0.580 -3.993 1.00 0.00 C ATOM 1809 C ILE A 109 110.539 1.898 -4.122 1.00 0.00 C ATOM 1810 O ILE A 109 110.557 2.712 -3.215 1.00 0.00 O ATOM 1811 CB ILE A 109 110.409 -0.543 -3.446 1.00 0.00 C ATOM 1812 CG1 ILE A 109 109.900 -0.220 -2.032 1.00 0.00 C ATOM 1813 CG2 ILE A 109 111.195 -1.856 -3.408 1.00 0.00 C ATOM 1814 CD1 ILE A 109 108.605 -0.993 -1.764 1.00 0.00 C ATOM 0 H ILE A 109 112.130 0.945 -2.058 1.00 0.00 H new ATOM 0 HA ILE A 109 111.675 0.318 -4.986 1.00 0.00 H new ATOM 0 HB ILE A 109 109.548 -0.635 -4.108 1.00 0.00 H new ATOM 0 HG12 ILE A 109 110.655 -0.488 -1.293 1.00 0.00 H new ATOM 0 HG13 ILE A 109 109.723 0.851 -1.934 1.00 0.00 H new ATOM 0 HG21 ILE A 109 110.557 -2.651 -3.021 1.00 0.00 H new ATOM 0 HG22 ILE A 109 111.524 -2.113 -4.415 1.00 0.00 H new ATOM 0 HG23 ILE A 109 112.065 -1.741 -2.761 1.00 0.00 H new ATOM 0 HD11 ILE A 109 108.245 -0.763 -0.761 1.00 0.00 H new ATOM 0 HD12 ILE A 109 107.851 -0.704 -2.496 1.00 0.00 H new ATOM 0 HD13 ILE A 109 108.797 -2.063 -1.844 1.00 0.00 H new ATOM 1826 N ALA A 110 109.872 2.101 -5.237 1.00 0.00 N ATOM 1827 CA ALA A 110 109.149 3.386 -5.483 1.00 0.00 C ATOM 1828 C ALA A 110 107.837 3.121 -6.242 1.00 0.00 C ATOM 1829 O ALA A 110 107.696 2.063 -6.826 1.00 0.00 O ATOM 1830 CB ALA A 110 110.104 4.236 -6.322 1.00 0.00 C ATOM 0 H ALA A 110 109.799 1.421 -5.993 1.00 0.00 H new ATOM 0 HA ALA A 110 108.879 3.890 -4.555 1.00 0.00 H new ATOM 0 HB1 ALA A 110 109.639 5.197 -6.541 1.00 0.00 H new ATOM 0 HB2 ALA A 110 111.029 4.399 -5.768 1.00 0.00 H new ATOM 0 HB3 ALA A 110 110.327 3.719 -7.255 1.00 0.00 H new ATOM 1836 N PRO A 111 106.911 4.071 -6.224 1.00 0.00 N ATOM 1837 CA PRO A 111 105.618 3.906 -6.967 1.00 0.00 C ATOM 1838 C PRO A 111 105.855 3.721 -8.473 1.00 0.00 C ATOM 1839 O PRO A 111 105.127 2.996 -9.129 1.00 0.00 O ATOM 1840 CB PRO A 111 104.886 5.224 -6.695 1.00 0.00 C ATOM 1841 CG PRO A 111 105.476 5.698 -5.414 1.00 0.00 C ATOM 1842 CD PRO A 111 106.934 5.374 -5.524 1.00 0.00 C ATOM 0 HA PRO A 111 105.060 3.025 -6.648 1.00 0.00 H new ATOM 0 HB2 PRO A 111 105.044 5.943 -7.499 1.00 0.00 H new ATOM 0 HB3 PRO A 111 103.810 5.074 -6.609 1.00 0.00 H new ATOM 0 HG2 PRO A 111 105.317 6.768 -5.277 1.00 0.00 H new ATOM 0 HG3 PRO A 111 105.022 5.196 -4.559 1.00 0.00 H new ATOM 0 HD2 PRO A 111 107.478 6.131 -6.089 1.00 0.00 H new ATOM 0 HD3 PRO A 111 107.410 5.303 -4.546 1.00 0.00 H new ATOM 1850 N MET A 112 106.864 4.372 -9.006 1.00 0.00 N ATOM 1851 CA MET A 112 107.170 4.268 -10.467 1.00 0.00 C ATOM 1852 C MET A 112 108.687 4.320 -10.709 1.00 0.00 C ATOM 1853 O MET A 112 109.429 4.800 -9.871 1.00 0.00 O ATOM 1854 CB MET A 112 106.399 5.413 -11.167 1.00 0.00 C ATOM 1855 CG MET A 112 107.049 6.805 -11.032 1.00 0.00 C ATOM 1856 SD MET A 112 106.921 7.438 -9.340 1.00 0.00 S ATOM 1857 CE MET A 112 105.131 7.710 -9.334 1.00 0.00 C ATOM 0 H MET A 112 107.495 4.978 -8.482 1.00 0.00 H new ATOM 0 HA MET A 112 106.848 3.313 -10.882 1.00 0.00 H new ATOM 0 HB2 MET A 112 106.303 5.173 -12.226 1.00 0.00 H new ATOM 0 HB3 MET A 112 105.390 5.457 -10.757 1.00 0.00 H new ATOM 0 HG2 MET A 112 108.098 6.747 -11.321 1.00 0.00 H new ATOM 0 HG3 MET A 112 106.567 7.501 -11.719 1.00 0.00 H new ATOM 0 HE1 MET A 112 104.846 8.237 -8.423 1.00 0.00 H new ATOM 0 HE2 MET A 112 104.851 8.307 -10.202 1.00 0.00 H new ATOM 0 HE3 MET A 112 104.617 6.750 -9.373 1.00 0.00 H new ATOM 1867 N LYS A 113 109.133 3.829 -11.846 1.00 0.00 N ATOM 1868 CA LYS A 113 110.605 3.762 -12.134 1.00 0.00 C ATOM 1869 C LYS A 113 111.224 5.168 -12.200 1.00 0.00 C ATOM 1870 O LYS A 113 111.066 5.890 -13.173 1.00 0.00 O ATOM 1871 CB LYS A 113 110.764 3.003 -13.463 1.00 0.00 C ATOM 1872 CG LYS A 113 110.042 3.719 -14.615 1.00 0.00 C ATOM 1873 CD LYS A 113 109.596 2.696 -15.663 1.00 0.00 C ATOM 1874 CE LYS A 113 109.140 3.419 -16.932 1.00 0.00 C ATOM 1875 NZ LYS A 113 108.151 2.502 -17.563 1.00 0.00 N ATOM 0 H LYS A 113 108.536 3.470 -12.591 1.00 0.00 H new ATOM 0 HA LYS A 113 111.135 3.242 -11.336 1.00 0.00 H new ATOM 0 HB2 LYS A 113 111.823 2.905 -13.702 1.00 0.00 H new ATOM 0 HB3 LYS A 113 110.367 1.994 -13.356 1.00 0.00 H new ATOM 0 HG2 LYS A 113 109.178 4.262 -14.233 1.00 0.00 H new ATOM 0 HG3 LYS A 113 110.705 4.455 -15.071 1.00 0.00 H new ATOM 0 HD2 LYS A 113 110.417 2.018 -15.895 1.00 0.00 H new ATOM 0 HD3 LYS A 113 108.782 2.088 -15.268 1.00 0.00 H new ATOM 0 HE2 LYS A 113 108.690 4.383 -16.697 1.00 0.00 H new ATOM 0 HE3 LYS A 113 109.980 3.613 -17.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 107.792 2.929 -18.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 108.609 1.595 -17.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 107.360 2.341 -16.908 1.00 0.00 H new ATOM 1889 N LEU A 114 111.933 5.549 -11.158 1.00 0.00 N ATOM 1890 CA LEU A 114 112.611 6.892 -11.117 1.00 0.00 C ATOM 1891 C LEU A 114 113.612 7.048 -12.268 1.00 0.00 C ATOM 1892 O LEU A 114 113.812 8.141 -12.765 1.00 0.00 O ATOM 1893 CB LEU A 114 113.352 6.958 -9.777 1.00 0.00 C ATOM 1894 CG LEU A 114 112.343 6.947 -8.626 1.00 0.00 C ATOM 1895 CD1 LEU A 114 113.079 6.722 -7.304 1.00 0.00 C ATOM 1896 CD2 LEU A 114 111.611 8.291 -8.574 1.00 0.00 C ATOM 0 H LEU A 114 112.073 4.979 -10.323 1.00 0.00 H new ATOM 0 HA LEU A 114 111.877 7.692 -11.220 1.00 0.00 H new ATOM 0 HB2 LEU A 114 114.032 6.111 -9.685 1.00 0.00 H new ATOM 0 HB3 LEU A 114 113.960 7.861 -9.731 1.00 0.00 H new ATOM 0 HG LEU A 114 111.623 6.145 -8.785 1.00 0.00 H new ATOM 0 HD11 LEU A 114 112.361 6.714 -6.484 1.00 0.00 H new ATOM 0 HD12 LEU A 114 113.602 5.766 -7.337 1.00 0.00 H new ATOM 0 HD13 LEU A 114 113.799 7.525 -7.147 1.00 0.00 H new ATOM 0 HD21 LEU A 114 110.893 8.283 -7.754 1.00 0.00 H new ATOM 0 HD22 LEU A 114 112.333 9.092 -8.416 1.00 0.00 H new ATOM 0 HD23 LEU A 114 111.086 8.456 -9.515 1.00 0.00 H new ATOM 1908 N ARG A 115 114.231 5.966 -12.690 1.00 0.00 N ATOM 1909 CA ARG A 115 115.325 6.047 -13.718 1.00 0.00 C ATOM 1910 C ARG A 115 114.805 6.629 -15.036 1.00 0.00 C ATOM 1911 O ARG A 115 115.524 7.342 -15.714 1.00 0.00 O ATOM 1912 CB ARG A 115 115.825 4.618 -13.947 1.00 0.00 C ATOM 1913 CG ARG A 115 116.462 4.083 -12.663 1.00 0.00 C ATOM 1914 CD ARG A 115 117.091 2.711 -12.932 1.00 0.00 C ATOM 1915 NE ARG A 115 115.951 1.788 -13.253 1.00 0.00 N ATOM 1916 CZ ARG A 115 116.103 0.694 -13.976 1.00 0.00 C ATOM 1917 NH1 ARG A 115 117.262 0.305 -14.454 1.00 0.00 N ATOM 1918 NH2 ARG A 115 115.052 -0.040 -14.217 1.00 0.00 N ATOM 0 H ARG A 115 114.023 5.022 -12.363 1.00 0.00 H new ATOM 0 HA ARG A 115 116.123 6.701 -13.367 1.00 0.00 H new ATOM 0 HB2 ARG A 115 114.997 3.977 -14.248 1.00 0.00 H new ATOM 0 HB3 ARG A 115 116.552 4.602 -14.759 1.00 0.00 H new ATOM 0 HG2 ARG A 115 117.221 4.778 -12.305 1.00 0.00 H new ATOM 0 HG3 ARG A 115 115.709 4.002 -11.879 1.00 0.00 H new ATOM 0 HD2 ARG A 115 117.797 2.761 -13.761 1.00 0.00 H new ATOM 0 HD3 ARG A 115 117.645 2.359 -12.062 1.00 0.00 H new ATOM 0 HE ARG A 115 115.022 2.015 -12.898 1.00 0.00 H new ATOM 0 HH11 ARG A 115 118.100 0.857 -14.272 1.00 0.00 H new ATOM 0 HH12 ARG A 115 117.325 -0.549 -15.007 1.00 0.00 H new ATOM 0 HH21 ARG A 115 114.142 0.237 -13.850 1.00 0.00 H new ATOM 0 HH22 ARG A 115 115.141 -0.891 -14.773 1.00 0.00 H new ATOM 1932 N GLU A 116 113.575 6.329 -15.386 1.00 0.00 N ATOM 1933 CA GLU A 116 112.978 6.899 -16.634 1.00 0.00 C ATOM 1934 C GLU A 116 112.548 8.342 -16.374 1.00 0.00 C ATOM 1935 O GLU A 116 112.882 9.233 -17.135 1.00 0.00 O ATOM 1936 CB GLU A 116 111.768 6.027 -16.984 1.00 0.00 C ATOM 1937 CG GLU A 116 111.266 6.401 -18.382 1.00 0.00 C ATOM 1938 CD GLU A 116 109.816 5.944 -18.547 1.00 0.00 C ATOM 1939 OE1 GLU A 116 108.988 6.370 -17.759 1.00 0.00 O ATOM 1940 OE2 GLU A 116 109.558 5.177 -19.460 1.00 0.00 O ATOM 0 H GLU A 116 112.958 5.712 -14.858 1.00 0.00 H new ATOM 0 HA GLU A 116 113.692 6.905 -17.458 1.00 0.00 H new ATOM 0 HB2 GLU A 116 112.043 4.973 -16.953 1.00 0.00 H new ATOM 0 HB3 GLU A 116 110.976 6.171 -16.249 1.00 0.00 H new ATOM 0 HG2 GLU A 116 111.337 7.479 -18.528 1.00 0.00 H new ATOM 0 HG3 GLU A 116 111.893 5.934 -19.141 1.00 0.00 H new ATOM 1947 N GLN A 117 111.829 8.573 -15.297 1.00 0.00 N ATOM 1948 CA GLN A 117 111.219 9.926 -15.052 1.00 0.00 C ATOM 1949 C GLN A 117 112.299 11.006 -14.921 1.00 0.00 C ATOM 1950 O GLN A 117 112.089 12.137 -15.325 1.00 0.00 O ATOM 1951 CB GLN A 117 110.426 9.817 -13.744 1.00 0.00 C ATOM 1952 CG GLN A 117 109.255 8.850 -13.932 1.00 0.00 C ATOM 1953 CD GLN A 117 108.168 9.152 -12.897 1.00 0.00 C ATOM 1954 OE1 GLN A 117 107.008 9.282 -13.239 1.00 0.00 O ATOM 1955 NE2 GLN A 117 108.492 9.270 -11.638 1.00 0.00 N ATOM 0 H GLN A 117 111.637 7.880 -14.573 1.00 0.00 H new ATOM 0 HA GLN A 117 110.580 10.213 -15.887 1.00 0.00 H new ATOM 0 HB2 GLN A 117 111.075 9.466 -12.942 1.00 0.00 H new ATOM 0 HB3 GLN A 117 110.056 10.799 -13.448 1.00 0.00 H new ATOM 0 HG2 GLN A 117 108.849 8.946 -14.939 1.00 0.00 H new ATOM 0 HG3 GLN A 117 109.599 7.821 -13.824 1.00 0.00 H new ATOM 0 HE21 GLN A 117 109.464 9.161 -11.349 1.00 0.00 H new ATOM 0 HE22 GLN A 117 107.773 9.471 -10.943 1.00 0.00 H new ATOM 1964 N PHE A 118 113.439 10.661 -14.367 1.00 0.00 N ATOM 1965 CA PHE A 118 114.524 11.669 -14.143 1.00 0.00 C ATOM 1966 C PHE A 118 115.715 11.476 -15.096 1.00 0.00 C ATOM 1967 O PHE A 118 116.736 12.114 -14.922 1.00 0.00 O ATOM 1968 CB PHE A 118 114.964 11.449 -12.695 1.00 0.00 C ATOM 1969 CG PHE A 118 113.929 11.875 -11.682 1.00 0.00 C ATOM 1970 CD1 PHE A 118 113.853 13.242 -11.270 1.00 0.00 C ATOM 1971 CD2 PHE A 118 113.027 10.912 -11.134 1.00 0.00 C ATOM 1972 CE1 PHE A 118 112.874 13.646 -10.311 1.00 0.00 C ATOM 1973 CE2 PHE A 118 112.047 11.316 -10.174 1.00 0.00 C ATOM 1974 CZ PHE A 118 111.971 12.683 -9.763 1.00 0.00 C ATOM 0 H PHE A 118 113.665 9.715 -14.058 1.00 0.00 H new ATOM 0 HA PHE A 118 114.162 12.679 -14.333 1.00 0.00 H new ATOM 0 HB2 PHE A 118 115.192 10.393 -12.549 1.00 0.00 H new ATOM 0 HB3 PHE A 118 115.886 12.002 -12.515 1.00 0.00 H new ATOM 0 HD1 PHE A 118 114.536 13.969 -11.684 1.00 0.00 H new ATOM 0 HD2 PHE A 118 113.085 9.879 -11.445 1.00 0.00 H new ATOM 0 HE1 PHE A 118 112.816 14.679 -10.000 1.00 0.00 H new ATOM 0 HE2 PHE A 118 111.365 10.589 -9.760 1.00 0.00 H new ATOM 0 HZ PHE A 118 111.231 12.988 -9.038 1.00 0.00 H new ATOM 1984 N ASN A 119 115.611 10.614 -16.097 1.00 0.00 N ATOM 1985 CA ASN A 119 116.737 10.372 -17.071 1.00 0.00 C ATOM 1986 C ASN A 119 118.062 10.054 -16.349 1.00 0.00 C ATOM 1987 O ASN A 119 119.092 10.647 -16.629 1.00 0.00 O ATOM 1988 CB ASN A 119 116.846 11.656 -17.907 1.00 0.00 C ATOM 1989 CG ASN A 119 115.579 11.833 -18.746 1.00 0.00 C ATOM 1990 OD1 ASN A 119 114.947 12.870 -18.701 1.00 0.00 O ATOM 1991 ND2 ASN A 119 115.179 10.859 -19.517 1.00 0.00 N ATOM 0 H ASN A 119 114.775 10.059 -16.280 1.00 0.00 H new ATOM 0 HA ASN A 119 116.535 9.503 -17.697 1.00 0.00 H new ATOM 0 HB2 ASN A 119 116.984 12.517 -17.253 1.00 0.00 H new ATOM 0 HB3 ASN A 119 117.720 11.606 -18.556 1.00 0.00 H new ATOM 0 HD21 ASN A 119 114.336 10.968 -20.081 1.00 0.00 H new ATOM 0 HD22 ASN A 119 115.709 9.988 -19.555 1.00 0.00 H new ATOM 1998 N LEU A 120 118.029 9.117 -15.428 1.00 0.00 N ATOM 1999 CA LEU A 120 119.195 8.889 -14.516 1.00 0.00 C ATOM 2000 C LEU A 120 120.174 7.879 -15.121 1.00 0.00 C ATOM 2001 O LEU A 120 119.767 6.877 -15.682 1.00 0.00 O ATOM 2002 CB LEU A 120 118.607 8.339 -13.214 1.00 0.00 C ATOM 2003 CG LEU A 120 117.755 9.415 -12.537 1.00 0.00 C ATOM 2004 CD1 LEU A 120 116.834 8.760 -11.505 1.00 0.00 C ATOM 2005 CD2 LEU A 120 118.670 10.422 -11.835 1.00 0.00 C ATOM 0 H LEU A 120 117.236 8.496 -15.269 1.00 0.00 H new ATOM 0 HA LEU A 120 119.752 9.812 -14.353 1.00 0.00 H new ATOM 0 HB2 LEU A 120 118.000 7.458 -13.422 1.00 0.00 H new ATOM 0 HB3 LEU A 120 119.409 8.023 -12.547 1.00 0.00 H new ATOM 0 HG LEU A 120 117.155 9.929 -13.287 1.00 0.00 H new ATOM 0 HD11 LEU A 120 116.226 9.525 -11.022 1.00 0.00 H new ATOM 0 HD12 LEU A 120 116.183 8.041 -12.003 1.00 0.00 H new ATOM 0 HD13 LEU A 120 117.435 8.247 -10.755 1.00 0.00 H new ATOM 0 HD21 LEU A 120 118.064 11.189 -11.352 1.00 0.00 H new ATOM 0 HD22 LEU A 120 119.269 9.907 -11.084 1.00 0.00 H new ATOM 0 HD23 LEU A 120 119.329 10.888 -12.568 1.00 0.00 H new ATOM 2017 N LYS A 121 121.454 8.149 -15.003 1.00 0.00 N ATOM 2018 CA LYS A 121 122.501 7.181 -15.454 1.00 0.00 C ATOM 2019 C LYS A 121 123.377 6.773 -14.266 1.00 0.00 C ATOM 2020 O LYS A 121 123.464 7.491 -13.285 1.00 0.00 O ATOM 2021 CB LYS A 121 123.330 7.942 -16.490 1.00 0.00 C ATOM 2022 CG LYS A 121 122.479 8.218 -17.731 1.00 0.00 C ATOM 2023 CD LYS A 121 123.344 8.876 -18.808 1.00 0.00 C ATOM 2024 CE LYS A 121 122.469 9.260 -20.004 1.00 0.00 C ATOM 2025 NZ LYS A 121 122.320 8.003 -20.789 1.00 0.00 N ATOM 0 H LYS A 121 121.821 9.014 -14.606 1.00 0.00 H new ATOM 0 HA LYS A 121 122.071 6.269 -15.869 1.00 0.00 H new ATOM 0 HB2 LYS A 121 123.687 8.881 -16.066 1.00 0.00 H new ATOM 0 HB3 LYS A 121 124.211 7.361 -16.763 1.00 0.00 H new ATOM 0 HG2 LYS A 121 122.055 7.287 -18.108 1.00 0.00 H new ATOM 0 HG3 LYS A 121 121.643 8.868 -17.474 1.00 0.00 H new ATOM 0 HD2 LYS A 121 123.835 9.762 -18.404 1.00 0.00 H new ATOM 0 HD3 LYS A 121 124.131 8.192 -19.125 1.00 0.00 H new ATOM 0 HE2 LYS A 121 121.500 9.640 -19.679 1.00 0.00 H new ATOM 0 HE3 LYS A 121 122.936 10.045 -20.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 122.905 8.058 -21.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 122.628 7.195 -20.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 121.323 7.877 -21.057 1.00 0.00 H new ATOM 2039 N ASP A 122 124.025 5.631 -14.350 1.00 0.00 N ATOM 2040 CA ASP A 122 124.892 5.132 -13.221 1.00 0.00 C ATOM 2041 C ASP A 122 125.966 6.161 -12.840 1.00 0.00 C ATOM 2042 O ASP A 122 126.567 6.777 -13.703 1.00 0.00 O ATOM 2043 CB ASP A 122 125.562 3.852 -13.732 1.00 0.00 C ATOM 2044 CG ASP A 122 124.502 2.775 -13.976 1.00 0.00 C ATOM 2045 OD1 ASP A 122 123.635 2.621 -13.130 1.00 0.00 O ATOM 2046 OD2 ASP A 122 124.575 2.124 -15.005 1.00 0.00 O ATOM 0 H ASP A 122 123.991 5.014 -15.162 1.00 0.00 H new ATOM 0 HA ASP A 122 124.291 4.955 -12.329 1.00 0.00 H new ATOM 0 HB2 ASP A 122 126.104 4.058 -14.655 1.00 0.00 H new ATOM 0 HB3 ASP A 122 126.293 3.498 -13.005 1.00 0.00 H new ATOM 2051 N GLY A 123 126.199 6.337 -11.558 1.00 0.00 N ATOM 2052 CA GLY A 123 127.198 7.344 -11.083 1.00 0.00 C ATOM 2053 C GLY A 123 126.508 8.630 -10.610 1.00 0.00 C ATOM 2054 O GLY A 123 127.081 9.367 -9.826 1.00 0.00 O ATOM 0 H GLY A 123 125.732 5.818 -10.814 1.00 0.00 H new ATOM 0 HA2 GLY A 123 127.784 6.922 -10.267 1.00 0.00 H new ATOM 0 HA3 GLY A 123 127.894 7.577 -11.888 1.00 0.00 H new ATOM 2058 N ASP A 124 125.302 8.908 -11.069 1.00 0.00 N ATOM 2059 CA ASP A 124 124.584 10.158 -10.643 1.00 0.00 C ATOM 2060 C ASP A 124 124.270 10.098 -9.145 1.00 0.00 C ATOM 2061 O ASP A 124 124.101 9.026 -8.595 1.00 0.00 O ATOM 2062 CB ASP A 124 123.289 10.229 -11.460 1.00 0.00 C ATOM 2063 CG ASP A 124 123.553 10.914 -12.804 1.00 0.00 C ATOM 2064 OD1 ASP A 124 124.281 11.894 -12.821 1.00 0.00 O ATOM 2065 OD2 ASP A 124 123.017 10.448 -13.794 1.00 0.00 O ATOM 0 H ASP A 124 124.785 8.319 -11.722 1.00 0.00 H new ATOM 0 HA ASP A 124 125.198 11.042 -10.816 1.00 0.00 H new ATOM 0 HB2 ASP A 124 122.898 9.225 -11.625 1.00 0.00 H new ATOM 0 HB3 ASP A 124 122.529 10.780 -10.905 1.00 0.00 H new ATOM 2070 N VAL A 125 124.191 11.239 -8.497 1.00 0.00 N ATOM 2071 CA VAL A 125 124.010 11.272 -7.011 1.00 0.00 C ATOM 2072 C VAL A 125 122.600 11.784 -6.682 1.00 0.00 C ATOM 2073 O VAL A 125 122.154 12.775 -7.231 1.00 0.00 O ATOM 2074 CB VAL A 125 125.096 12.223 -6.470 1.00 0.00 C ATOM 2075 CG1 VAL A 125 125.020 12.307 -4.939 1.00 0.00 C ATOM 2076 CG2 VAL A 125 126.490 11.712 -6.849 1.00 0.00 C ATOM 0 H VAL A 125 124.245 12.156 -8.940 1.00 0.00 H new ATOM 0 HA VAL A 125 124.109 10.286 -6.557 1.00 0.00 H new ATOM 0 HB VAL A 125 124.925 13.206 -6.908 1.00 0.00 H new ATOM 0 HG11 VAL A 125 125.793 12.982 -4.573 1.00 0.00 H new ATOM 0 HG12 VAL A 125 124.040 12.683 -4.643 1.00 0.00 H new ATOM 0 HG13 VAL A 125 125.172 11.316 -4.512 1.00 0.00 H new ATOM 0 HG21 VAL A 125 127.246 12.394 -6.460 1.00 0.00 H new ATOM 0 HG22 VAL A 125 126.642 10.720 -6.423 1.00 0.00 H new ATOM 0 HG23 VAL A 125 126.575 11.657 -7.934 1.00 0.00 H new ATOM 2086 N ILE A 126 121.915 11.104 -5.792 1.00 0.00 N ATOM 2087 CA ILE A 126 120.578 11.574 -5.308 1.00 0.00 C ATOM 2088 C ILE A 126 120.569 11.599 -3.776 1.00 0.00 C ATOM 2089 O ILE A 126 121.383 10.947 -3.146 1.00 0.00 O ATOM 2090 CB ILE A 126 119.535 10.585 -5.860 1.00 0.00 C ATOM 2091 CG1 ILE A 126 119.837 9.145 -5.418 1.00 0.00 C ATOM 2092 CG2 ILE A 126 119.528 10.648 -7.390 1.00 0.00 C ATOM 2093 CD1 ILE A 126 118.615 8.262 -5.681 1.00 0.00 C ATOM 0 H ILE A 126 122.232 10.229 -5.374 1.00 0.00 H new ATOM 0 HA ILE A 126 120.353 12.584 -5.650 1.00 0.00 H new ATOM 0 HB ILE A 126 118.560 10.870 -5.464 1.00 0.00 H new ATOM 0 HG12 ILE A 126 120.700 8.760 -5.961 1.00 0.00 H new ATOM 0 HG13 ILE A 126 120.092 9.125 -4.358 1.00 0.00 H new ATOM 0 HG21 ILE A 126 118.789 9.948 -7.780 1.00 0.00 H new ATOM 0 HG22 ILE A 126 119.275 11.658 -7.711 1.00 0.00 H new ATOM 0 HG23 ILE A 126 120.515 10.383 -7.770 1.00 0.00 H new ATOM 0 HD11 ILE A 126 118.830 7.241 -5.367 1.00 0.00 H new ATOM 0 HD12 ILE A 126 117.763 8.643 -5.118 1.00 0.00 H new ATOM 0 HD13 ILE A 126 118.381 8.273 -6.745 1.00 0.00 H new ATOM 2105 N LYS A 127 119.659 12.342 -3.189 1.00 0.00 N ATOM 2106 CA LYS A 127 119.637 12.503 -1.704 1.00 0.00 C ATOM 2107 C LYS A 127 118.436 11.762 -1.109 1.00 0.00 C ATOM 2108 O LYS A 127 117.349 11.815 -1.653 1.00 0.00 O ATOM 2109 CB LYS A 127 119.506 14.008 -1.467 1.00 0.00 C ATOM 2110 CG LYS A 127 120.788 14.712 -1.919 1.00 0.00 C ATOM 2111 CD LYS A 127 120.752 16.177 -1.477 1.00 0.00 C ATOM 2112 CE LYS A 127 119.742 16.947 -2.331 1.00 0.00 C ATOM 2113 NZ LYS A 127 119.880 18.368 -1.905 1.00 0.00 N ATOM 0 H LYS A 127 118.924 12.848 -3.684 1.00 0.00 H new ATOM 0 HA LYS A 127 120.530 12.093 -1.233 1.00 0.00 H new ATOM 0 HB2 LYS A 127 118.650 14.400 -2.017 1.00 0.00 H new ATOM 0 HB3 LYS A 127 119.324 14.206 -0.411 1.00 0.00 H new ATOM 0 HG2 LYS A 127 121.658 14.214 -1.492 1.00 0.00 H new ATOM 0 HG3 LYS A 127 120.886 14.651 -3.003 1.00 0.00 H new ATOM 0 HD2 LYS A 127 120.478 16.243 -0.424 1.00 0.00 H new ATOM 0 HD3 LYS A 127 121.742 16.622 -1.577 1.00 0.00 H new ATOM 0 HE2 LYS A 127 119.955 16.831 -3.394 1.00 0.00 H new ATOM 0 HE3 LYS A 127 118.728 16.583 -2.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 119.218 18.959 -2.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 119.665 18.449 -0.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 120.854 18.690 -2.079 1.00 0.00 H new ATOM 2127 N ILE A 128 118.636 11.081 -0.005 1.00 0.00 N ATOM 2128 CA ILE A 128 117.502 10.411 0.709 1.00 0.00 C ATOM 2129 C ILE A 128 117.222 11.136 2.030 1.00 0.00 C ATOM 2130 O ILE A 128 118.140 11.509 2.742 1.00 0.00 O ATOM 2131 CB ILE A 128 117.923 8.949 0.939 1.00 0.00 C ATOM 2132 CG1 ILE A 128 119.241 8.854 1.722 1.00 0.00 C ATOM 2133 CG2 ILE A 128 118.094 8.254 -0.416 1.00 0.00 C ATOM 2134 CD1 ILE A 128 119.456 7.416 2.200 1.00 0.00 C ATOM 0 H ILE A 128 119.547 10.960 0.437 1.00 0.00 H new ATOM 0 HA ILE A 128 116.581 10.444 0.128 1.00 0.00 H new ATOM 0 HB ILE A 128 117.144 8.462 1.526 1.00 0.00 H new ATOM 0 HG12 ILE A 128 120.073 9.166 1.091 1.00 0.00 H new ATOM 0 HG13 ILE A 128 119.217 9.531 2.576 1.00 0.00 H new ATOM 0 HG21 ILE A 128 118.392 7.218 -0.258 1.00 0.00 H new ATOM 0 HG22 ILE A 128 117.150 8.281 -0.960 1.00 0.00 H new ATOM 0 HG23 ILE A 128 118.861 8.768 -0.994 1.00 0.00 H new ATOM 0 HD11 ILE A 128 120.392 7.353 2.755 1.00 0.00 H new ATOM 0 HD12 ILE A 128 118.630 7.120 2.847 1.00 0.00 H new ATOM 0 HD13 ILE A 128 119.499 6.749 1.339 1.00 0.00 H new ATOM 2146 N LEU A 129 115.963 11.335 2.346 1.00 0.00 N ATOM 2147 CA LEU A 129 115.580 12.125 3.555 1.00 0.00 C ATOM 2148 C LEU A 129 114.957 11.211 4.613 1.00 0.00 C ATOM 2149 O LEU A 129 114.070 10.431 4.313 1.00 0.00 O ATOM 2150 CB LEU A 129 114.556 13.144 3.051 1.00 0.00 C ATOM 2151 CG LEU A 129 114.324 14.219 4.118 1.00 0.00 C ATOM 2152 CD1 LEU A 129 113.825 15.503 3.452 1.00 0.00 C ATOM 2153 CD2 LEU A 129 113.279 13.731 5.124 1.00 0.00 C ATOM 0 H LEU A 129 115.175 10.977 1.807 1.00 0.00 H new ATOM 0 HA LEU A 129 116.438 12.606 4.023 1.00 0.00 H new ATOM 0 HB2 LEU A 129 114.911 13.605 2.129 1.00 0.00 H new ATOM 0 HB3 LEU A 129 113.617 12.643 2.816 1.00 0.00 H new ATOM 0 HG LEU A 129 115.262 14.417 4.637 1.00 0.00 H new ATOM 0 HD11 LEU A 129 113.660 16.267 4.212 1.00 0.00 H new ATOM 0 HD12 LEU A 129 114.570 15.856 2.738 1.00 0.00 H new ATOM 0 HD13 LEU A 129 112.889 15.302 2.931 1.00 0.00 H new ATOM 0 HD21 LEU A 129 113.117 14.498 5.881 1.00 0.00 H new ATOM 0 HD22 LEU A 129 112.342 13.529 4.606 1.00 0.00 H new ATOM 0 HD23 LEU A 129 113.633 12.818 5.603 1.00 0.00 H new