USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=18 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 55 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Set 1.2: A 59 TYR OH : rot 150:sc= 0 USER MOD Set 1.3: A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 43 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 45 ASN : amide:sc= -1.7 K(o=-1.7,f=-2.4) USER MOD Single : A 13 SER OG : rot 15:sc= 0.412 USER MOD Single : A 32 LYS NZ :NH3+ 178:sc= 0.792 (180deg=0.767) USER MOD Single : A 33 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.192) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -79:sc= -1.38 USER MOD Single : A 68 ASN : amide:sc= -3 K(o=-3,f=-7.5!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.228) USER MOD Single : A 86 ASN : amide:sc= 0.39 K(o=0.39,f=-5.2!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -121:sc= 0 (180deg=-0.212) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 143:sc= 0 (180deg=-0.072) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HE2:sc= -0.755 K(o=-0.76,f=-3.4!) USER MOD Single : A 102 SER OG : rot -78:sc= 0.34 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl -172:sc= -1.89 (180deg=-2.19) USER MOD Single : A 113 LYS NZ :NH3+ -114:sc= -0.112 (180deg=-0.201) USER MOD Single : A 117 GLN : amide:sc= -0.0864 X(o=-0.086,f=-0.49) USER MOD Single : A 119 ASN : amide:sc= -0.0485 X(o=-0.049,f=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.111) USER MOD ----------------------------------------------------------------- ATOM 94 N ILE A 6 119.942 13.682 6.692 1.00 0.00 N ATOM 95 CA ILE A 6 120.059 13.534 5.205 1.00 0.00 C ATOM 96 C ILE A 6 121.339 12.754 4.872 1.00 0.00 C ATOM 97 O ILE A 6 122.396 13.042 5.406 1.00 0.00 O ATOM 98 CB ILE A 6 120.118 14.968 4.638 1.00 0.00 C ATOM 99 CG1 ILE A 6 118.895 15.805 5.068 1.00 0.00 C ATOM 100 CG2 ILE A 6 120.192 14.937 3.104 1.00 0.00 C ATOM 101 CD1 ILE A 6 117.572 15.164 4.623 1.00 0.00 C ATOM 0 HA ILE A 6 119.221 12.985 4.775 1.00 0.00 H new ATOM 0 HB ILE A 6 121.016 15.435 5.043 1.00 0.00 H new ATOM 0 HG12 ILE A 6 118.896 15.918 6.152 1.00 0.00 H new ATOM 0 HG13 ILE A 6 118.974 16.806 4.643 1.00 0.00 H new ATOM 0 HG21 ILE A 6 120.233 15.957 2.721 1.00 0.00 H new ATOM 0 HG22 ILE A 6 121.086 14.397 2.794 1.00 0.00 H new ATOM 0 HG23 ILE A 6 119.309 14.436 2.707 1.00 0.00 H new ATOM 0 HD11 ILE A 6 116.739 15.787 4.947 1.00 0.00 H new ATOM 0 HD12 ILE A 6 117.558 15.075 3.537 1.00 0.00 H new ATOM 0 HD13 ILE A 6 117.479 14.174 5.069 1.00 0.00 H new ATOM 113 N ILE A 7 121.235 11.779 3.998 1.00 0.00 N ATOM 114 CA ILE A 7 122.439 11.016 3.537 1.00 0.00 C ATOM 115 C ILE A 7 122.439 10.975 2.003 1.00 0.00 C ATOM 116 O ILE A 7 121.389 10.990 1.388 1.00 0.00 O ATOM 117 CB ILE A 7 122.312 9.602 4.141 1.00 0.00 C ATOM 118 CG1 ILE A 7 122.249 9.676 5.673 1.00 0.00 C ATOM 119 CG2 ILE A 7 123.528 8.749 3.754 1.00 0.00 C ATOM 120 CD1 ILE A 7 121.776 8.333 6.236 1.00 0.00 C ATOM 0 H ILE A 7 120.355 11.477 3.580 1.00 0.00 H new ATOM 0 HA ILE A 7 123.375 11.475 3.855 1.00 0.00 H new ATOM 0 HB ILE A 7 121.398 9.153 3.752 1.00 0.00 H new ATOM 0 HG12 ILE A 7 123.231 9.924 6.075 1.00 0.00 H new ATOM 0 HG13 ILE A 7 121.569 10.470 5.981 1.00 0.00 H new ATOM 0 HG21 ILE A 7 123.427 7.754 4.186 1.00 0.00 H new ATOM 0 HG22 ILE A 7 123.586 8.669 2.668 1.00 0.00 H new ATOM 0 HG23 ILE A 7 124.436 9.218 4.132 1.00 0.00 H new ATOM 0 HD11 ILE A 7 121.733 8.389 7.324 1.00 0.00 H new ATOM 0 HD12 ILE A 7 120.785 8.103 5.845 1.00 0.00 H new ATOM 0 HD13 ILE A 7 122.473 7.549 5.941 1.00 0.00 H new ATOM 132 N GLU A 8 123.606 10.925 1.401 1.00 0.00 N ATOM 133 CA GLU A 8 123.708 10.907 -0.092 1.00 0.00 C ATOM 134 C GLU A 8 124.083 9.506 -0.585 1.00 0.00 C ATOM 135 O GLU A 8 124.878 8.824 0.037 1.00 0.00 O ATOM 136 CB GLU A 8 124.815 11.907 -0.428 1.00 0.00 C ATOM 137 CG GLU A 8 124.352 13.324 -0.082 1.00 0.00 C ATOM 138 CD GLU A 8 125.409 14.338 -0.527 1.00 0.00 C ATOM 139 OE1 GLU A 8 126.582 14.084 -0.301 1.00 0.00 O ATOM 140 OE2 GLU A 8 125.027 15.351 -1.089 1.00 0.00 O ATOM 0 H GLU A 8 124.501 10.896 1.889 1.00 0.00 H new ATOM 0 HA GLU A 8 122.764 11.168 -0.570 1.00 0.00 H new ATOM 0 HB2 GLU A 8 125.720 11.663 0.129 1.00 0.00 H new ATOM 0 HB3 GLU A 8 125.066 11.844 -1.487 1.00 0.00 H new ATOM 0 HG2 GLU A 8 123.402 13.536 -0.573 1.00 0.00 H new ATOM 0 HG3 GLU A 8 124.182 13.409 0.991 1.00 0.00 H new ATOM 147 N GLY A 9 123.513 9.087 -1.693 1.00 0.00 N ATOM 148 CA GLY A 9 123.840 7.749 -2.277 1.00 0.00 C ATOM 149 C GLY A 9 124.019 7.884 -3.792 1.00 0.00 C ATOM 150 O GLY A 9 123.411 8.739 -4.410 1.00 0.00 O ATOM 0 H GLY A 9 122.826 9.625 -2.222 1.00 0.00 H new ATOM 0 HA2 GLY A 9 124.751 7.356 -1.826 1.00 0.00 H new ATOM 0 HA3 GLY A 9 123.043 7.039 -2.056 1.00 0.00 H new ATOM 154 N GLU A 10 124.845 7.045 -4.377 1.00 0.00 N ATOM 155 CA GLU A 10 125.097 7.110 -5.850 1.00 0.00 C ATOM 156 C GLU A 10 124.403 5.944 -6.559 1.00 0.00 C ATOM 157 O GLU A 10 124.364 4.841 -6.043 1.00 0.00 O ATOM 158 CB GLU A 10 126.616 7.004 -6.006 1.00 0.00 C ATOM 159 CG GLU A 10 127.002 7.322 -7.452 1.00 0.00 C ATOM 160 CD GLU A 10 128.501 7.083 -7.648 1.00 0.00 C ATOM 161 OE1 GLU A 10 128.984 6.061 -7.189 1.00 0.00 O ATOM 162 OE2 GLU A 10 129.141 7.927 -8.253 1.00 0.00 O ATOM 0 H GLU A 10 125.359 6.312 -3.889 1.00 0.00 H new ATOM 0 HA GLU A 10 124.708 8.028 -6.291 1.00 0.00 H new ATOM 0 HB2 GLU A 10 127.112 7.696 -5.325 1.00 0.00 H new ATOM 0 HB3 GLU A 10 126.951 6.001 -5.741 1.00 0.00 H new ATOM 0 HG2 GLU A 10 126.431 6.696 -8.138 1.00 0.00 H new ATOM 0 HG3 GLU A 10 126.755 8.358 -7.686 1.00 0.00 H new ATOM 169 N VAL A 11 123.862 6.190 -7.733 1.00 0.00 N ATOM 170 CA VAL A 11 123.174 5.111 -8.526 1.00 0.00 C ATOM 171 C VAL A 11 124.185 4.016 -8.901 1.00 0.00 C ATOM 172 O VAL A 11 125.192 4.298 -9.525 1.00 0.00 O ATOM 173 CB VAL A 11 122.621 5.781 -9.803 1.00 0.00 C ATOM 174 CG1 VAL A 11 121.815 4.769 -10.629 1.00 0.00 C ATOM 175 CG2 VAL A 11 121.700 6.955 -9.446 1.00 0.00 C ATOM 0 H VAL A 11 123.868 7.106 -8.183 1.00 0.00 H new ATOM 0 HA VAL A 11 122.373 4.647 -7.950 1.00 0.00 H new ATOM 0 HB VAL A 11 123.471 6.144 -10.381 1.00 0.00 H new ATOM 0 HG11 VAL A 11 121.431 5.255 -11.526 1.00 0.00 H new ATOM 0 HG12 VAL A 11 122.459 3.937 -10.914 1.00 0.00 H new ATOM 0 HG13 VAL A 11 120.982 4.395 -10.034 1.00 0.00 H new ATOM 0 HG21 VAL A 11 121.322 7.412 -10.361 1.00 0.00 H new ATOM 0 HG22 VAL A 11 120.863 6.593 -8.849 1.00 0.00 H new ATOM 0 HG23 VAL A 11 122.260 7.696 -8.875 1.00 0.00 H new ATOM 185 N VAL A 12 123.912 2.789 -8.523 1.00 0.00 N ATOM 186 CA VAL A 12 124.797 1.641 -8.907 1.00 0.00 C ATOM 187 C VAL A 12 123.989 0.587 -9.674 1.00 0.00 C ATOM 188 O VAL A 12 122.783 0.499 -9.514 1.00 0.00 O ATOM 189 CB VAL A 12 125.364 1.065 -7.598 1.00 0.00 C ATOM 190 CG1 VAL A 12 126.237 2.117 -6.911 1.00 0.00 C ATOM 191 CG2 VAL A 12 124.242 0.642 -6.637 1.00 0.00 C ATOM 0 H VAL A 12 123.103 2.531 -7.958 1.00 0.00 H new ATOM 0 HA VAL A 12 125.606 1.961 -9.563 1.00 0.00 H new ATOM 0 HB VAL A 12 125.955 0.184 -7.848 1.00 0.00 H new ATOM 0 HG11 VAL A 12 126.638 1.708 -5.984 1.00 0.00 H new ATOM 0 HG12 VAL A 12 127.059 2.395 -7.571 1.00 0.00 H new ATOM 0 HG13 VAL A 12 125.637 2.999 -6.688 1.00 0.00 H new ATOM 0 HG21 VAL A 12 124.678 0.240 -5.723 1.00 0.00 H new ATOM 0 HG22 VAL A 12 123.625 1.507 -6.394 1.00 0.00 H new ATOM 0 HG23 VAL A 12 123.625 -0.122 -7.111 1.00 0.00 H new ATOM 201 N SER A 13 124.650 -0.199 -10.493 1.00 0.00 N ATOM 202 CA SER A 13 123.936 -1.218 -11.329 1.00 0.00 C ATOM 203 C SER A 13 123.734 -2.511 -10.535 1.00 0.00 C ATOM 204 O SER A 13 124.655 -3.003 -9.907 1.00 0.00 O ATOM 205 CB SER A 13 124.839 -1.470 -12.539 1.00 0.00 C ATOM 206 OG SER A 13 126.030 -2.118 -12.110 1.00 0.00 O ATOM 0 H SER A 13 125.662 -0.177 -10.619 1.00 0.00 H new ATOM 0 HA SER A 13 122.948 -0.870 -11.631 1.00 0.00 H new ATOM 0 HB2 SER A 13 124.320 -2.087 -13.272 1.00 0.00 H new ATOM 0 HB3 SER A 13 125.081 -0.527 -13.029 1.00 0.00 H new ATOM 0 HG SER A 13 125.904 -2.468 -11.203 1.00 0.00 H new ATOM 486 N PHE A 31 103.318 -4.844 0.924 1.00 0.00 N ATOM 487 CA PHE A 31 103.877 -3.478 0.650 1.00 0.00 C ATOM 488 C PHE A 31 102.772 -2.419 0.723 1.00 0.00 C ATOM 489 O PHE A 31 102.970 -1.367 1.302 1.00 0.00 O ATOM 490 CB PHE A 31 104.492 -3.537 -0.758 1.00 0.00 C ATOM 491 CG PHE A 31 105.950 -3.944 -0.768 1.00 0.00 C ATOM 492 CD1 PHE A 31 106.881 -3.313 0.116 1.00 0.00 C ATOM 493 CD2 PHE A 31 106.400 -4.959 -1.668 1.00 0.00 C ATOM 494 CE1 PHE A 31 108.257 -3.699 0.102 1.00 0.00 C ATOM 495 CE2 PHE A 31 107.775 -5.345 -1.681 1.00 0.00 C ATOM 496 CZ PHE A 31 108.704 -4.715 -0.796 1.00 0.00 C ATOM 0 HA PHE A 31 104.627 -3.200 1.391 1.00 0.00 H new ATOM 0 HB2 PHE A 31 103.923 -4.242 -1.364 1.00 0.00 H new ATOM 0 HB3 PHE A 31 104.394 -2.559 -1.229 1.00 0.00 H new ATOM 0 HD1 PHE A 31 106.544 -2.544 0.795 1.00 0.00 H new ATOM 0 HD2 PHE A 31 105.700 -5.434 -2.339 1.00 0.00 H new ATOM 0 HE1 PHE A 31 108.959 -3.222 0.771 1.00 0.00 H new ATOM 0 HE2 PHE A 31 108.113 -6.114 -2.360 1.00 0.00 H new ATOM 0 HZ PHE A 31 109.744 -5.007 -0.807 1.00 0.00 H new ATOM 506 N LYS A 32 101.624 -2.696 0.147 1.00 0.00 N ATOM 507 CA LYS A 32 100.484 -1.718 0.189 1.00 0.00 C ATOM 508 C LYS A 32 99.979 -1.535 1.624 1.00 0.00 C ATOM 509 O LYS A 32 99.532 -0.460 1.985 1.00 0.00 O ATOM 510 CB LYS A 32 99.378 -2.303 -0.698 1.00 0.00 C ATOM 511 CG LYS A 32 98.290 -1.250 -0.924 1.00 0.00 C ATOM 512 CD LYS A 32 97.199 -1.826 -1.828 1.00 0.00 C ATOM 513 CE LYS A 32 96.081 -0.796 -2.001 1.00 0.00 C ATOM 514 NZ LYS A 32 96.589 0.155 -3.028 1.00 0.00 N ATOM 0 H LYS A 32 101.426 -3.562 -0.354 1.00 0.00 H new ATOM 0 HA LYS A 32 100.798 -0.736 -0.166 1.00 0.00 H new ATOM 0 HB2 LYS A 32 99.795 -2.621 -1.654 1.00 0.00 H new ATOM 0 HB3 LYS A 32 98.950 -3.188 -0.227 1.00 0.00 H new ATOM 0 HG2 LYS A 32 97.862 -0.944 0.031 1.00 0.00 H new ATOM 0 HG3 LYS A 32 98.721 -0.359 -1.380 1.00 0.00 H new ATOM 0 HD2 LYS A 32 97.618 -2.089 -2.799 1.00 0.00 H new ATOM 0 HD3 LYS A 32 96.799 -2.743 -1.394 1.00 0.00 H new ATOM 0 HE2 LYS A 32 95.155 -1.270 -2.326 1.00 0.00 H new ATOM 0 HE3 LYS A 32 95.866 -0.285 -1.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 95.863 0.873 -3.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 97.449 0.621 -2.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 96.810 -0.363 -3.902 1.00 0.00 H new ATOM 528 N LYS A 33 100.045 -2.571 2.427 1.00 0.00 N ATOM 529 CA LYS A 33 99.612 -2.462 3.860 1.00 0.00 C ATOM 530 C LYS A 33 100.578 -1.572 4.649 1.00 0.00 C ATOM 531 O LYS A 33 100.150 -0.783 5.473 1.00 0.00 O ATOM 532 CB LYS A 33 99.614 -3.887 4.424 1.00 0.00 C ATOM 533 CG LYS A 33 98.929 -3.897 5.792 1.00 0.00 C ATOM 534 CD LYS A 33 98.985 -5.309 6.381 1.00 0.00 C ATOM 535 CE LYS A 33 98.132 -5.367 7.650 1.00 0.00 C ATOM 536 NZ LYS A 33 98.948 -4.682 8.692 1.00 0.00 N ATOM 0 H LYS A 33 100.382 -3.493 2.151 1.00 0.00 H new ATOM 0 HA LYS A 33 98.624 -2.009 3.937 1.00 0.00 H new ATOM 0 HB2 LYS A 33 99.096 -4.560 3.741 1.00 0.00 H new ATOM 0 HB3 LYS A 33 100.637 -4.252 4.515 1.00 0.00 H new ATOM 0 HG2 LYS A 33 99.421 -3.192 6.462 1.00 0.00 H new ATOM 0 HG3 LYS A 33 97.893 -3.573 5.694 1.00 0.00 H new ATOM 0 HD2 LYS A 33 98.621 -6.033 5.652 1.00 0.00 H new ATOM 0 HD3 LYS A 33 100.016 -5.578 6.610 1.00 0.00 H new ATOM 0 HE2 LYS A 33 97.175 -4.866 7.506 1.00 0.00 H new ATOM 0 HE3 LYS A 33 97.914 -6.397 7.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 99.114 -5.332 9.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 99.860 -4.394 8.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 98.440 -3.841 9.033 1.00 0.00 H new ATOM 550 N ILE A 34 101.862 -1.695 4.398 1.00 0.00 N ATOM 551 CA ILE A 34 102.880 -0.921 5.183 1.00 0.00 C ATOM 552 C ILE A 34 102.992 0.503 4.620 1.00 0.00 C ATOM 553 O ILE A 34 103.188 1.445 5.368 1.00 0.00 O ATOM 554 CB ILE A 34 104.217 -1.681 5.050 1.00 0.00 C ATOM 555 CG1 ILE A 34 104.074 -3.124 5.552 1.00 0.00 C ATOM 556 CG2 ILE A 34 105.304 -0.993 5.886 1.00 0.00 C ATOM 557 CD1 ILE A 34 105.266 -3.952 5.067 1.00 0.00 C ATOM 0 H ILE A 34 102.251 -2.303 3.677 1.00 0.00 H new ATOM 0 HA ILE A 34 102.600 -0.834 6.233 1.00 0.00 H new ATOM 0 HB ILE A 34 104.493 -1.681 3.996 1.00 0.00 H new ATOM 0 HG12 ILE A 34 104.026 -3.139 6.641 1.00 0.00 H new ATOM 0 HG13 ILE A 34 103.143 -3.557 5.186 1.00 0.00 H new ATOM 0 HG21 ILE A 34 106.242 -1.539 5.784 1.00 0.00 H new ATOM 0 HG22 ILE A 34 105.439 0.030 5.536 1.00 0.00 H new ATOM 0 HG23 ILE A 34 105.004 -0.981 6.934 1.00 0.00 H new ATOM 0 HD11 ILE A 34 105.166 -4.977 5.423 1.00 0.00 H new ATOM 0 HD12 ILE A 34 105.293 -3.947 3.977 1.00 0.00 H new ATOM 0 HD13 ILE A 34 106.190 -3.522 5.455 1.00 0.00 H new ATOM 569 N LEU A 35 102.868 0.655 3.321 1.00 0.00 N ATOM 570 CA LEU A 35 103.095 1.985 2.672 1.00 0.00 C ATOM 571 C LEU A 35 101.775 2.667 2.297 1.00 0.00 C ATOM 572 O LEU A 35 101.715 3.881 2.221 1.00 0.00 O ATOM 573 CB LEU A 35 103.880 1.673 1.397 1.00 0.00 C ATOM 574 CG LEU A 35 105.262 1.119 1.743 1.00 0.00 C ATOM 575 CD1 LEU A 35 105.849 0.431 0.509 1.00 0.00 C ATOM 576 CD2 LEU A 35 106.178 2.267 2.173 1.00 0.00 C ATOM 0 H LEU A 35 102.616 -0.095 2.677 1.00 0.00 H new ATOM 0 HA LEU A 35 103.618 2.662 3.347 1.00 0.00 H new ATOM 0 HB2 LEU A 35 103.332 0.950 0.793 1.00 0.00 H new ATOM 0 HB3 LEU A 35 103.984 2.576 0.796 1.00 0.00 H new ATOM 0 HG LEU A 35 105.177 0.400 2.558 1.00 0.00 H new ATOM 0 HD11 LEU A 35 106.835 0.033 0.749 1.00 0.00 H new ATOM 0 HD12 LEU A 35 105.194 -0.384 0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 35 105.936 1.153 -0.303 1.00 0.00 H new ATOM 0 HD21 LEU A 35 107.164 1.873 2.420 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.268 2.985 1.358 1.00 0.00 H new ATOM 0 HD23 LEU A 35 105.755 2.762 3.048 1.00 0.00 H new ATOM 588 N GLY A 36 100.732 1.900 2.070 1.00 0.00 N ATOM 589 CA GLY A 36 99.451 2.471 1.557 1.00 0.00 C ATOM 590 C GLY A 36 99.496 2.668 0.031 1.00 0.00 C ATOM 591 O GLY A 36 98.659 3.373 -0.504 1.00 0.00 O ATOM 0 H GLY A 36 100.718 0.891 2.221 1.00 0.00 H new ATOM 0 HA2 GLY A 36 98.626 1.808 1.816 1.00 0.00 H new ATOM 0 HA3 GLY A 36 99.256 3.427 2.043 1.00 0.00 H new ATOM 595 N PHE A 37 100.443 2.068 -0.668 1.00 0.00 N ATOM 596 CA PHE A 37 100.408 2.072 -2.165 1.00 0.00 C ATOM 597 C PHE A 37 101.086 0.818 -2.728 1.00 0.00 C ATOM 598 O PHE A 37 101.834 0.152 -2.034 1.00 0.00 O ATOM 599 CB PHE A 37 101.138 3.351 -2.600 1.00 0.00 C ATOM 600 CG PHE A 37 102.614 3.413 -2.260 1.00 0.00 C ATOM 601 CD1 PHE A 37 103.553 2.607 -2.978 1.00 0.00 C ATOM 602 CD2 PHE A 37 103.074 4.299 -1.236 1.00 0.00 C ATOM 603 CE1 PHE A 37 104.947 2.683 -2.672 1.00 0.00 C ATOM 604 CE2 PHE A 37 104.469 4.374 -0.928 1.00 0.00 C ATOM 605 CZ PHE A 37 105.405 3.566 -1.646 1.00 0.00 C ATOM 0 H PHE A 37 101.238 1.576 -0.259 1.00 0.00 H new ATOM 0 HA PHE A 37 99.386 2.059 -2.544 1.00 0.00 H new ATOM 0 HB2 PHE A 37 101.027 3.461 -3.679 1.00 0.00 H new ATOM 0 HB3 PHE A 37 100.642 4.205 -2.140 1.00 0.00 H new ATOM 0 HD1 PHE A 37 103.207 1.939 -3.753 1.00 0.00 H new ATOM 0 HD2 PHE A 37 102.368 4.912 -0.695 1.00 0.00 H new ATOM 0 HE1 PHE A 37 105.654 2.074 -3.216 1.00 0.00 H new ATOM 0 HE2 PHE A 37 104.815 5.041 -0.153 1.00 0.00 H new ATOM 0 HZ PHE A 37 106.458 3.623 -1.413 1.00 0.00 H new ATOM 615 N GLU A 38 100.823 0.508 -3.978 1.00 0.00 N ATOM 616 CA GLU A 38 101.461 -0.677 -4.633 1.00 0.00 C ATOM 617 C GLU A 38 102.728 -0.238 -5.387 1.00 0.00 C ATOM 618 O GLU A 38 102.604 0.382 -6.428 1.00 0.00 O ATOM 619 CB GLU A 38 100.413 -1.203 -5.619 1.00 0.00 C ATOM 620 CG GLU A 38 99.214 -1.764 -4.848 1.00 0.00 C ATOM 621 CD GLU A 38 97.964 -1.716 -5.731 1.00 0.00 C ATOM 622 OE1 GLU A 38 97.719 -2.683 -6.432 1.00 0.00 O ATOM 623 OE2 GLU A 38 97.274 -0.710 -5.690 1.00 0.00 O ATOM 0 H GLU A 38 100.186 1.033 -4.577 1.00 0.00 H new ATOM 0 HA GLU A 38 101.758 -1.438 -3.911 1.00 0.00 H new ATOM 0 HB2 GLU A 38 100.088 -0.401 -6.282 1.00 0.00 H new ATOM 0 HB3 GLU A 38 100.849 -1.979 -6.248 1.00 0.00 H new ATOM 0 HG2 GLU A 38 99.415 -2.790 -4.541 1.00 0.00 H new ATOM 0 HG3 GLU A 38 99.051 -1.185 -3.939 1.00 0.00 H new ATOM 630 N PRO A 39 103.905 -0.559 -4.868 1.00 0.00 N ATOM 631 CA PRO A 39 105.171 -0.128 -5.535 1.00 0.00 C ATOM 632 C PRO A 39 105.354 -0.874 -6.861 1.00 0.00 C ATOM 633 O PRO A 39 104.776 -1.929 -7.058 1.00 0.00 O ATOM 634 CB PRO A 39 106.251 -0.521 -4.528 1.00 0.00 C ATOM 635 CG PRO A 39 105.654 -1.686 -3.821 1.00 0.00 C ATOM 636 CD PRO A 39 104.206 -1.334 -3.644 1.00 0.00 C ATOM 0 HA PRO A 39 105.193 0.933 -5.782 1.00 0.00 H new ATOM 0 HB2 PRO A 39 107.185 -0.787 -5.023 1.00 0.00 H new ATOM 0 HB3 PRO A 39 106.476 0.295 -3.841 1.00 0.00 H new ATOM 0 HG2 PRO A 39 105.769 -2.601 -4.402 1.00 0.00 H new ATOM 0 HG3 PRO A 39 106.139 -1.855 -2.860 1.00 0.00 H new ATOM 0 HD2 PRO A 39 103.580 -2.223 -3.564 1.00 0.00 H new ATOM 0 HD3 PRO A 39 104.040 -0.746 -2.742 1.00 0.00 H new ATOM 644 N TYR A 40 106.149 -0.331 -7.754 1.00 0.00 N ATOM 645 CA TYR A 40 106.377 -0.984 -9.086 1.00 0.00 C ATOM 646 C TYR A 40 107.278 -2.209 -8.918 1.00 0.00 C ATOM 647 O TYR A 40 107.982 -2.327 -7.929 1.00 0.00 O ATOM 648 CB TYR A 40 107.070 0.061 -9.965 1.00 0.00 C ATOM 649 CG TYR A 40 107.217 -0.366 -11.406 1.00 0.00 C ATOM 650 CD1 TYR A 40 108.383 -1.077 -11.826 1.00 0.00 C ATOM 651 CD2 TYR A 40 106.188 -0.059 -12.350 1.00 0.00 C ATOM 652 CE1 TYR A 40 108.522 -1.480 -13.191 1.00 0.00 C ATOM 653 CE2 TYR A 40 106.326 -0.462 -13.715 1.00 0.00 C ATOM 654 CZ TYR A 40 107.493 -1.173 -14.135 1.00 0.00 C ATOM 655 OH TYR A 40 107.627 -1.563 -15.452 1.00 0.00 O ATOM 0 H TYR A 40 106.654 0.544 -7.616 1.00 0.00 H new ATOM 0 HA TYR A 40 105.440 -1.318 -9.532 1.00 0.00 H new ATOM 0 HB2 TYR A 40 106.503 0.991 -9.926 1.00 0.00 H new ATOM 0 HB3 TYR A 40 108.057 0.272 -9.554 1.00 0.00 H new ATOM 0 HD1 TYR A 40 109.159 -1.310 -11.112 1.00 0.00 H new ATOM 0 HD2 TYR A 40 105.306 0.477 -12.032 1.00 0.00 H new ATOM 0 HE1 TYR A 40 109.404 -2.016 -13.509 1.00 0.00 H new ATOM 0 HE2 TYR A 40 105.549 -0.229 -14.428 1.00 0.00 H new ATOM 0 HH TYR A 40 106.839 -1.277 -15.960 1.00 0.00 H new ATOM 665 N GLU A 41 107.261 -3.108 -9.878 1.00 0.00 N ATOM 666 CA GLU A 41 108.114 -4.337 -9.785 1.00 0.00 C ATOM 667 C GLU A 41 109.555 -4.002 -10.198 1.00 0.00 C ATOM 668 O GLU A 41 109.977 -4.266 -11.312 1.00 0.00 O ATOM 669 CB GLU A 41 107.485 -5.353 -10.749 1.00 0.00 C ATOM 670 CG GLU A 41 106.105 -5.765 -10.231 1.00 0.00 C ATOM 671 CD GLU A 41 105.510 -6.839 -11.145 1.00 0.00 C ATOM 672 OE1 GLU A 41 106.235 -7.752 -11.504 1.00 0.00 O ATOM 673 OE2 GLU A 41 104.340 -6.731 -11.469 1.00 0.00 O ATOM 0 H GLU A 41 106.692 -3.042 -10.722 1.00 0.00 H new ATOM 0 HA GLU A 41 108.157 -4.735 -8.771 1.00 0.00 H new ATOM 0 HB2 GLU A 41 107.396 -4.918 -11.745 1.00 0.00 H new ATOM 0 HB3 GLU A 41 108.127 -6.229 -10.840 1.00 0.00 H new ATOM 0 HG2 GLU A 41 106.187 -6.145 -9.213 1.00 0.00 H new ATOM 0 HG3 GLU A 41 105.445 -4.898 -10.196 1.00 0.00 H new ATOM 680 N GLY A 42 110.302 -3.414 -9.290 1.00 0.00 N ATOM 681 CA GLY A 42 111.749 -3.129 -9.536 1.00 0.00 C ATOM 682 C GLY A 42 112.358 -2.484 -8.287 1.00 0.00 C ATOM 683 O GLY A 42 111.654 -2.213 -7.329 1.00 0.00 O ATOM 0 H GLY A 42 109.962 -3.116 -8.376 1.00 0.00 H new ATOM 0 HA2 GLY A 42 112.277 -4.051 -9.777 1.00 0.00 H new ATOM 0 HA3 GLY A 42 111.860 -2.465 -10.393 1.00 0.00 H new ATOM 687 N THR A 43 113.649 -2.244 -8.300 1.00 0.00 N ATOM 688 CA THR A 43 114.325 -1.593 -7.135 1.00 0.00 C ATOM 689 C THR A 43 115.339 -0.547 -7.610 1.00 0.00 C ATOM 690 O THR A 43 115.853 -0.630 -8.710 1.00 0.00 O ATOM 691 CB THR A 43 115.041 -2.715 -6.372 1.00 0.00 C ATOM 692 OG1 THR A 43 115.631 -3.634 -7.282 1.00 0.00 O ATOM 693 CG2 THR A 43 114.040 -3.446 -5.474 1.00 0.00 C ATOM 0 H THR A 43 114.268 -2.475 -9.077 1.00 0.00 H new ATOM 0 HA THR A 43 113.602 -1.076 -6.503 1.00 0.00 H new ATOM 0 HB THR A 43 115.828 -2.277 -5.758 1.00 0.00 H new ATOM 0 HG1 THR A 43 116.086 -4.343 -6.782 1.00 0.00 H new ATOM 0 HG21 THR A 43 114.551 -4.243 -4.933 1.00 0.00 H new ATOM 0 HG22 THR A 43 113.609 -2.742 -4.762 1.00 0.00 H new ATOM 0 HG23 THR A 43 113.247 -3.874 -6.087 1.00 0.00 H new ATOM 701 N LEU A 44 115.615 0.427 -6.775 1.00 0.00 N ATOM 702 CA LEU A 44 116.736 1.378 -7.029 1.00 0.00 C ATOM 703 C LEU A 44 117.855 1.096 -6.025 1.00 0.00 C ATOM 704 O LEU A 44 117.647 1.202 -4.830 1.00 0.00 O ATOM 705 CB LEU A 44 116.132 2.769 -6.805 1.00 0.00 C ATOM 706 CG LEU A 44 117.160 3.853 -7.147 1.00 0.00 C ATOM 707 CD1 LEU A 44 117.372 3.901 -8.662 1.00 0.00 C ATOM 708 CD2 LEU A 44 116.645 5.212 -6.664 1.00 0.00 C ATOM 0 H LEU A 44 115.099 0.603 -5.913 1.00 0.00 H new ATOM 0 HA LEU A 44 117.161 1.290 -8.029 1.00 0.00 H new ATOM 0 HB2 LEU A 44 115.243 2.892 -7.424 1.00 0.00 H new ATOM 0 HB3 LEU A 44 115.814 2.873 -5.767 1.00 0.00 H new ATOM 0 HG LEU A 44 118.105 3.623 -6.656 1.00 0.00 H new ATOM 0 HD11 LEU A 44 118.103 4.673 -8.903 1.00 0.00 H new ATOM 0 HD12 LEU A 44 117.737 2.934 -9.009 1.00 0.00 H new ATOM 0 HD13 LEU A 44 116.427 4.130 -9.155 1.00 0.00 H new ATOM 0 HD21 LEU A 44 117.375 5.985 -6.906 1.00 0.00 H new ATOM 0 HD22 LEU A 44 115.699 5.439 -7.157 1.00 0.00 H new ATOM 0 HD23 LEU A 44 116.494 5.181 -5.585 1.00 0.00 H new ATOM 720 N ASN A 45 119.022 0.737 -6.506 1.00 0.00 N ATOM 721 CA ASN A 45 120.143 0.354 -5.595 1.00 0.00 C ATOM 722 C ASN A 45 121.124 1.520 -5.446 1.00 0.00 C ATOM 723 O ASN A 45 121.662 2.003 -6.427 1.00 0.00 O ATOM 724 CB ASN A 45 120.823 -0.834 -6.279 1.00 0.00 C ATOM 725 CG ASN A 45 119.976 -2.092 -6.084 1.00 0.00 C ATOM 726 OD1 ASN A 45 118.815 -2.119 -6.440 1.00 0.00 O ATOM 727 ND2 ASN A 45 120.514 -3.144 -5.529 1.00 0.00 N ATOM 0 H ASN A 45 119.246 0.693 -7.500 1.00 0.00 H new ATOM 0 HA ASN A 45 119.793 0.102 -4.594 1.00 0.00 H new ATOM 0 HB2 ASN A 45 120.950 -0.630 -7.342 1.00 0.00 H new ATOM 0 HB3 ASN A 45 121.819 -0.986 -5.862 1.00 0.00 H new ATOM 0 HD21 ASN A 45 119.959 -3.989 -5.394 1.00 0.00 H new ATOM 0 HD22 ASN A 45 121.489 -3.121 -5.230 1.00 0.00 H new ATOM 734 N LEU A 46 121.352 1.961 -4.230 1.00 0.00 N ATOM 735 CA LEU A 46 122.285 3.104 -3.984 1.00 0.00 C ATOM 736 C LEU A 46 123.435 2.672 -3.069 1.00 0.00 C ATOM 737 O LEU A 46 123.221 1.991 -2.081 1.00 0.00 O ATOM 738 CB LEU A 46 121.439 4.183 -3.307 1.00 0.00 C ATOM 739 CG LEU A 46 120.539 4.857 -4.346 1.00 0.00 C ATOM 740 CD1 LEU A 46 119.491 5.713 -3.636 1.00 0.00 C ATOM 741 CD2 LEU A 46 121.388 5.750 -5.255 1.00 0.00 C ATOM 0 H LEU A 46 120.925 1.572 -3.389 1.00 0.00 H new ATOM 0 HA LEU A 46 122.735 3.464 -4.909 1.00 0.00 H new ATOM 0 HB2 LEU A 46 120.832 3.741 -2.517 1.00 0.00 H new ATOM 0 HB3 LEU A 46 122.085 4.924 -2.836 1.00 0.00 H new ATOM 0 HG LEU A 46 120.043 4.092 -4.944 1.00 0.00 H new ATOM 0 HD11 LEU A 46 118.851 6.193 -4.376 1.00 0.00 H new ATOM 0 HD12 LEU A 46 118.885 5.082 -2.986 1.00 0.00 H new ATOM 0 HD13 LEU A 46 119.989 6.476 -3.038 1.00 0.00 H new ATOM 0 HD21 LEU A 46 120.747 6.230 -5.995 1.00 0.00 H new ATOM 0 HD22 LEU A 46 121.884 6.513 -4.655 1.00 0.00 H new ATOM 0 HD23 LEU A 46 122.138 5.144 -5.763 1.00 0.00 H new ATOM 753 N LYS A 47 124.640 3.069 -3.406 1.00 0.00 N ATOM 754 CA LYS A 47 125.817 2.821 -2.518 1.00 0.00 C ATOM 755 C LYS A 47 126.077 4.066 -1.666 1.00 0.00 C ATOM 756 O LYS A 47 126.079 5.171 -2.178 1.00 0.00 O ATOM 757 CB LYS A 47 126.989 2.560 -3.470 1.00 0.00 C ATOM 758 CG LYS A 47 128.219 2.118 -2.673 1.00 0.00 C ATOM 759 CD LYS A 47 129.428 2.044 -3.607 1.00 0.00 C ATOM 760 CE LYS A 47 130.620 1.447 -2.855 1.00 0.00 C ATOM 761 NZ LYS A 47 131.823 1.927 -3.592 1.00 0.00 N ATOM 0 H LYS A 47 124.859 3.561 -4.272 1.00 0.00 H new ATOM 0 HA LYS A 47 125.664 1.984 -1.836 1.00 0.00 H new ATOM 0 HB2 LYS A 47 126.717 1.791 -4.193 1.00 0.00 H new ATOM 0 HB3 LYS A 47 127.217 3.463 -4.036 1.00 0.00 H new ATOM 0 HG2 LYS A 47 128.413 2.821 -1.863 1.00 0.00 H new ATOM 0 HG3 LYS A 47 128.039 1.146 -2.215 1.00 0.00 H new ATOM 0 HD2 LYS A 47 129.191 1.433 -4.478 1.00 0.00 H new ATOM 0 HD3 LYS A 47 129.678 3.039 -3.975 1.00 0.00 H new ATOM 0 HE2 LYS A 47 130.636 1.777 -1.816 1.00 0.00 H new ATOM 0 HE3 LYS A 47 130.573 0.358 -2.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 132.681 1.558 -3.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 131.784 1.592 -4.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 131.845 2.967 -3.581 1.00 0.00 H new ATOM 775 N LEU A 48 126.294 3.883 -0.384 1.00 0.00 N ATOM 776 CA LEU A 48 126.487 5.039 0.543 1.00 0.00 C ATOM 777 C LEU A 48 127.927 5.077 1.058 1.00 0.00 C ATOM 778 O LEU A 48 128.630 4.083 1.009 1.00 0.00 O ATOM 779 CB LEU A 48 125.527 4.798 1.710 1.00 0.00 C ATOM 780 CG LEU A 48 124.077 4.873 1.226 1.00 0.00 C ATOM 781 CD1 LEU A 48 123.149 4.359 2.327 1.00 0.00 C ATOM 782 CD2 LEU A 48 123.722 6.326 0.901 1.00 0.00 C ATOM 0 H LEU A 48 126.346 2.968 0.063 1.00 0.00 H new ATOM 0 HA LEU A 48 126.294 5.987 0.042 1.00 0.00 H new ATOM 0 HB2 LEU A 48 125.720 3.821 2.153 1.00 0.00 H new ATOM 0 HB3 LEU A 48 125.697 5.541 2.489 1.00 0.00 H new ATOM 0 HG LEU A 48 123.959 4.261 0.332 1.00 0.00 H new ATOM 0 HD11 LEU A 48 122.115 4.411 1.985 1.00 0.00 H new ATOM 0 HD12 LEU A 48 123.402 3.325 2.563 1.00 0.00 H new ATOM 0 HD13 LEU A 48 123.268 4.974 3.219 1.00 0.00 H new ATOM 0 HD21 LEU A 48 122.689 6.380 0.556 1.00 0.00 H new ATOM 0 HD22 LEU A 48 123.838 6.938 1.796 1.00 0.00 H new ATOM 0 HD23 LEU A 48 124.385 6.697 0.119 1.00 0.00 H new ATOM 794 N ASP A 49 128.356 6.220 1.543 1.00 0.00 N ATOM 795 CA ASP A 49 129.690 6.320 2.219 1.00 0.00 C ATOM 796 C ASP A 49 129.593 6.033 3.729 1.00 0.00 C ATOM 797 O ASP A 49 130.533 6.300 4.457 1.00 0.00 O ATOM 798 CB ASP A 49 130.188 7.752 1.954 1.00 0.00 C ATOM 799 CG ASP A 49 129.238 8.803 2.545 1.00 0.00 C ATOM 800 OD1 ASP A 49 128.069 8.782 2.194 1.00 0.00 O ATOM 801 OD2 ASP A 49 129.696 9.608 3.339 1.00 0.00 O ATOM 0 H ASP A 49 127.834 7.095 1.499 1.00 0.00 H new ATOM 0 HA ASP A 49 130.382 5.575 1.826 1.00 0.00 H new ATOM 0 HB2 ASP A 49 131.182 7.877 2.384 1.00 0.00 H new ATOM 0 HB3 ASP A 49 130.283 7.911 0.880 1.00 0.00 H new ATOM 806 N ARG A 50 128.482 5.500 4.200 1.00 0.00 N ATOM 807 CA ARG A 50 128.303 5.232 5.660 1.00 0.00 C ATOM 808 C ARG A 50 127.465 3.964 5.845 1.00 0.00 C ATOM 809 O ARG A 50 126.533 3.729 5.097 1.00 0.00 O ATOM 810 CB ARG A 50 127.551 6.446 6.210 1.00 0.00 C ATOM 811 CG ARG A 50 128.432 7.695 6.124 1.00 0.00 C ATOM 812 CD ARG A 50 127.723 8.864 6.818 1.00 0.00 C ATOM 813 NE ARG A 50 128.572 10.073 6.558 1.00 0.00 N ATOM 814 CZ ARG A 50 128.088 11.299 6.569 1.00 0.00 C ATOM 815 NH1 ARG A 50 126.830 11.573 6.832 1.00 0.00 N ATOM 816 NH2 ARG A 50 128.899 12.291 6.317 1.00 0.00 N ATOM 0 H ARG A 50 127.684 5.238 3.621 1.00 0.00 H new ATOM 0 HA ARG A 50 129.253 5.083 6.173 1.00 0.00 H new ATOM 0 HB2 ARG A 50 126.632 6.600 5.645 1.00 0.00 H new ATOM 0 HB3 ARG A 50 127.262 6.266 7.246 1.00 0.00 H new ATOM 0 HG2 ARG A 50 129.396 7.507 6.597 1.00 0.00 H new ATOM 0 HG3 ARG A 50 128.631 7.943 5.081 1.00 0.00 H new ATOM 0 HD2 ARG A 50 126.717 9.001 6.422 1.00 0.00 H new ATOM 0 HD3 ARG A 50 127.622 8.680 7.888 1.00 0.00 H new ATOM 0 HE ARG A 50 129.565 9.941 6.365 1.00 0.00 H new ATOM 0 HH11 ARG A 50 126.177 10.818 7.041 1.00 0.00 H new ATOM 0 HH12 ARG A 50 126.507 12.541 6.827 1.00 0.00 H new ATOM 0 HH21 ARG A 50 129.882 12.108 6.118 1.00 0.00 H new ATOM 0 HH22 ARG A 50 128.549 13.249 6.319 1.00 0.00 H new ATOM 830 N GLU A 51 127.793 3.158 6.832 1.00 0.00 N ATOM 831 CA GLU A 51 126.995 1.915 7.116 1.00 0.00 C ATOM 832 C GLU A 51 125.559 2.275 7.520 1.00 0.00 C ATOM 833 O GLU A 51 125.332 3.296 8.145 1.00 0.00 O ATOM 834 CB GLU A 51 127.718 1.169 8.253 1.00 0.00 C ATOM 835 CG GLU A 51 127.849 2.046 9.506 1.00 0.00 C ATOM 836 CD GLU A 51 128.255 1.176 10.698 1.00 0.00 C ATOM 837 OE1 GLU A 51 127.667 0.121 10.864 1.00 0.00 O ATOM 838 OE2 GLU A 51 129.148 1.581 11.424 1.00 0.00 O ATOM 0 H GLU A 51 128.585 3.309 7.457 1.00 0.00 H new ATOM 0 HA GLU A 51 126.925 1.286 6.229 1.00 0.00 H new ATOM 0 HB2 GLU A 51 127.170 0.260 8.500 1.00 0.00 H new ATOM 0 HB3 GLU A 51 128.709 0.863 7.917 1.00 0.00 H new ATOM 0 HG2 GLU A 51 128.593 2.826 9.341 1.00 0.00 H new ATOM 0 HG3 GLU A 51 126.903 2.547 9.713 1.00 0.00 H new ATOM 845 N PHE A 52 124.605 1.442 7.166 1.00 0.00 N ATOM 846 CA PHE A 52 123.173 1.726 7.492 1.00 0.00 C ATOM 847 C PHE A 52 122.503 0.492 8.104 1.00 0.00 C ATOM 848 O PHE A 52 122.704 -0.618 7.643 1.00 0.00 O ATOM 849 CB PHE A 52 122.522 2.084 6.155 1.00 0.00 C ATOM 850 CG PHE A 52 121.080 2.517 6.289 1.00 0.00 C ATOM 851 CD1 PHE A 52 120.768 3.880 6.581 1.00 0.00 C ATOM 852 CD2 PHE A 52 120.030 1.561 6.128 1.00 0.00 C ATOM 853 CE1 PHE A 52 119.404 4.288 6.712 1.00 0.00 C ATOM 854 CE2 PHE A 52 118.666 1.968 6.259 1.00 0.00 C ATOM 855 CZ PHE A 52 118.354 3.332 6.552 1.00 0.00 C ATOM 0 H PHE A 52 124.762 0.570 6.660 1.00 0.00 H new ATOM 0 HA PHE A 52 123.074 2.529 8.222 1.00 0.00 H new ATOM 0 HB2 PHE A 52 123.092 2.885 5.684 1.00 0.00 H new ATOM 0 HB3 PHE A 52 122.575 1.222 5.491 1.00 0.00 H new ATOM 0 HD1 PHE A 52 121.562 4.602 6.703 1.00 0.00 H new ATOM 0 HD2 PHE A 52 120.267 0.531 5.907 1.00 0.00 H new ATOM 0 HE1 PHE A 52 119.167 5.319 6.932 1.00 0.00 H new ATOM 0 HE2 PHE A 52 117.872 1.246 6.137 1.00 0.00 H new ATOM 0 HZ PHE A 52 117.324 3.640 6.653 1.00 0.00 H new ATOM 865 N ASP A 53 121.715 0.694 9.136 1.00 0.00 N ATOM 866 CA ASP A 53 120.923 -0.419 9.741 1.00 0.00 C ATOM 867 C ASP A 53 119.510 0.071 10.075 1.00 0.00 C ATOM 868 O ASP A 53 119.350 1.057 10.773 1.00 0.00 O ATOM 869 CB ASP A 53 121.676 -0.799 11.017 1.00 0.00 C ATOM 870 CG ASP A 53 123.019 -1.433 10.650 1.00 0.00 C ATOM 871 OD1 ASP A 53 123.985 -0.699 10.528 1.00 0.00 O ATOM 872 OD2 ASP A 53 123.058 -2.643 10.497 1.00 0.00 O ATOM 0 H ASP A 53 121.588 1.599 9.589 1.00 0.00 H new ATOM 0 HA ASP A 53 120.819 -1.269 9.067 1.00 0.00 H new ATOM 0 HB2 ASP A 53 121.836 0.085 11.634 1.00 0.00 H new ATOM 0 HB3 ASP A 53 121.082 -1.497 11.608 1.00 0.00 H new ATOM 877 N ILE A 54 118.500 -0.611 9.581 1.00 0.00 N ATOM 878 CA ILE A 54 117.082 -0.187 9.836 1.00 0.00 C ATOM 879 C ILE A 54 116.737 -0.252 11.338 1.00 0.00 C ATOM 880 O ILE A 54 115.820 0.418 11.779 1.00 0.00 O ATOM 881 CB ILE A 54 116.194 -1.123 8.990 1.00 0.00 C ATOM 882 CG1 ILE A 54 114.728 -0.685 9.097 1.00 0.00 C ATOM 883 CG2 ILE A 54 116.336 -2.581 9.447 1.00 0.00 C ATOM 884 CD1 ILE A 54 113.891 -1.389 8.028 1.00 0.00 C ATOM 0 H ILE A 54 118.598 -1.449 9.008 1.00 0.00 H new ATOM 0 HA ILE A 54 116.920 0.852 9.551 1.00 0.00 H new ATOM 0 HB ILE A 54 116.520 -1.057 7.952 1.00 0.00 H new ATOM 0 HG12 ILE A 54 114.341 -0.922 10.088 1.00 0.00 H new ATOM 0 HG13 ILE A 54 114.653 0.396 8.976 1.00 0.00 H new ATOM 0 HG21 ILE A 54 115.699 -3.218 8.833 1.00 0.00 H new ATOM 0 HG22 ILE A 54 117.374 -2.896 9.341 1.00 0.00 H new ATOM 0 HG23 ILE A 54 116.036 -2.666 10.491 1.00 0.00 H new ATOM 0 HD11 ILE A 54 112.852 -1.072 8.112 1.00 0.00 H new ATOM 0 HD12 ILE A 54 114.271 -1.130 7.040 1.00 0.00 H new ATOM 0 HD13 ILE A 54 113.953 -2.468 8.169 1.00 0.00 H new ATOM 896 N ASN A 55 117.457 -1.042 12.108 1.00 0.00 N ATOM 897 CA ASN A 55 117.170 -1.156 13.578 1.00 0.00 C ATOM 898 C ASN A 55 117.640 0.082 14.359 1.00 0.00 C ATOM 899 O ASN A 55 117.459 0.136 15.563 1.00 0.00 O ATOM 900 CB ASN A 55 117.922 -2.400 14.064 1.00 0.00 C ATOM 901 CG ASN A 55 117.315 -3.649 13.420 1.00 0.00 C ATOM 902 OD1 ASN A 55 117.580 -3.945 12.272 1.00 0.00 O ATOM 903 ND2 ASN A 55 116.505 -4.398 14.117 1.00 0.00 N ATOM 0 H ASN A 55 118.234 -1.615 11.778 1.00 0.00 H new ATOM 0 HA ASN A 55 116.096 -1.232 13.745 1.00 0.00 H new ATOM 0 HB2 ASN A 55 118.978 -2.323 13.807 1.00 0.00 H new ATOM 0 HB3 ASN A 55 117.863 -2.473 15.150 1.00 0.00 H new ATOM 0 HD21 ASN A 55 116.094 -5.232 13.698 1.00 0.00 H new ATOM 0 HD22 ASN A 55 116.283 -4.149 15.081 1.00 0.00 H new ATOM 910 N LYS A 56 118.236 1.059 13.706 1.00 0.00 N ATOM 911 CA LYS A 56 118.524 2.369 14.376 1.00 0.00 C ATOM 912 C LYS A 56 117.366 3.364 14.191 1.00 0.00 C ATOM 913 O LYS A 56 117.315 4.366 14.882 1.00 0.00 O ATOM 914 CB LYS A 56 119.801 2.899 13.716 1.00 0.00 C ATOM 915 CG LYS A 56 120.978 1.990 14.074 1.00 0.00 C ATOM 916 CD LYS A 56 122.272 2.587 13.518 1.00 0.00 C ATOM 917 CE LYS A 56 123.433 1.625 13.779 1.00 0.00 C ATOM 918 NZ LYS A 56 124.654 2.379 13.378 1.00 0.00 N ATOM 0 H LYS A 56 118.536 1.002 12.733 1.00 0.00 H new ATOM 0 HA LYS A 56 118.644 2.241 15.452 1.00 0.00 H new ATOM 0 HB2 LYS A 56 119.674 2.938 12.634 1.00 0.00 H new ATOM 0 HB3 LYS A 56 120.000 3.917 14.050 1.00 0.00 H new ATOM 0 HG2 LYS A 56 121.051 1.881 15.156 1.00 0.00 H new ATOM 0 HG3 LYS A 56 120.819 0.993 13.663 1.00 0.00 H new ATOM 0 HD2 LYS A 56 122.170 2.769 12.448 1.00 0.00 H new ATOM 0 HD3 LYS A 56 122.472 3.550 13.988 1.00 0.00 H new ATOM 0 HE2 LYS A 56 123.476 1.333 14.828 1.00 0.00 H new ATOM 0 HE3 LYS A 56 123.326 0.709 13.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 125.494 1.784 13.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 124.588 2.638 12.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 124.734 3.242 13.953 1.00 0.00 H new ATOM 932 N PHE A 57 116.449 3.103 13.280 1.00 0.00 N ATOM 933 CA PHE A 57 115.234 3.963 13.133 1.00 0.00 C ATOM 934 C PHE A 57 113.982 3.134 13.437 1.00 0.00 C ATOM 935 O PHE A 57 114.075 1.939 13.654 1.00 0.00 O ATOM 936 CB PHE A 57 115.221 4.434 11.675 1.00 0.00 C ATOM 937 CG PHE A 57 116.479 5.157 11.245 1.00 0.00 C ATOM 938 CD1 PHE A 57 116.583 6.574 11.402 1.00 0.00 C ATOM 939 CD2 PHE A 57 117.568 4.418 10.688 1.00 0.00 C ATOM 940 CE1 PHE A 57 117.775 7.251 11.000 1.00 0.00 C ATOM 941 CE2 PHE A 57 118.761 5.096 10.286 1.00 0.00 C ATOM 942 CZ PHE A 57 118.864 6.513 10.441 1.00 0.00 C ATOM 0 H PHE A 57 116.497 2.320 12.627 1.00 0.00 H new ATOM 0 HA PHE A 57 115.248 4.810 13.819 1.00 0.00 H new ATOM 0 HB2 PHE A 57 115.073 3.570 11.027 1.00 0.00 H new ATOM 0 HB3 PHE A 57 114.367 5.095 11.526 1.00 0.00 H new ATOM 0 HD1 PHE A 57 115.761 7.133 11.824 1.00 0.00 H new ATOM 0 HD2 PHE A 57 117.490 3.347 10.571 1.00 0.00 H new ATOM 0 HE1 PHE A 57 117.853 8.322 11.119 1.00 0.00 H new ATOM 0 HE2 PHE A 57 119.584 4.537 9.865 1.00 0.00 H new ATOM 0 HZ PHE A 57 119.764 7.026 10.136 1.00 0.00 H new ATOM 952 N LYS A 58 112.828 3.762 13.449 1.00 0.00 N ATOM 953 CA LYS A 58 111.563 3.045 13.804 1.00 0.00 C ATOM 954 C LYS A 58 110.896 2.492 12.540 1.00 0.00 C ATOM 955 O LYS A 58 110.280 3.230 11.792 1.00 0.00 O ATOM 956 CB LYS A 58 110.668 4.093 14.471 1.00 0.00 C ATOM 957 CG LYS A 58 111.283 4.520 15.806 1.00 0.00 C ATOM 958 CD LYS A 58 110.334 5.483 16.521 1.00 0.00 C ATOM 959 CE LYS A 58 110.995 5.996 17.802 1.00 0.00 C ATOM 960 NZ LYS A 58 109.865 6.411 18.679 1.00 0.00 N ATOM 0 H LYS A 58 112.710 4.750 13.226 1.00 0.00 H new ATOM 0 HA LYS A 58 111.747 2.198 14.465 1.00 0.00 H new ATOM 0 HB2 LYS A 58 110.555 4.958 13.818 1.00 0.00 H new ATOM 0 HB3 LYS A 58 109.671 3.684 14.633 1.00 0.00 H new ATOM 0 HG2 LYS A 58 111.468 3.645 16.429 1.00 0.00 H new ATOM 0 HG3 LYS A 58 112.247 5.001 15.637 1.00 0.00 H new ATOM 0 HD2 LYS A 58 110.087 6.319 15.867 1.00 0.00 H new ATOM 0 HD3 LYS A 58 109.398 4.978 16.760 1.00 0.00 H new ATOM 0 HE2 LYS A 58 111.596 5.219 18.274 1.00 0.00 H new ATOM 0 HE3 LYS A 58 111.662 6.833 17.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 110.239 6.775 19.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 109.314 7.156 18.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 109.251 5.592 18.865 1.00 0.00 H new ATOM 974 N TYR A 59 111.021 1.203 12.313 1.00 0.00 N ATOM 975 CA TYR A 59 110.423 0.565 11.100 1.00 0.00 C ATOM 976 C TYR A 59 109.251 -0.343 11.495 1.00 0.00 C ATOM 977 O TYR A 59 108.939 -0.479 12.665 1.00 0.00 O ATOM 978 CB TYR A 59 111.574 -0.230 10.461 1.00 0.00 C ATOM 979 CG TYR A 59 112.067 -1.413 11.272 1.00 0.00 C ATOM 980 CD1 TYR A 59 113.077 -1.235 12.269 1.00 0.00 C ATOM 981 CD2 TYR A 59 111.516 -2.711 11.039 1.00 0.00 C ATOM 982 CE1 TYR A 59 113.532 -2.355 13.033 1.00 0.00 C ATOM 983 CE2 TYR A 59 111.972 -3.829 11.802 1.00 0.00 C ATOM 984 CZ TYR A 59 112.980 -3.652 12.799 1.00 0.00 C ATOM 985 OH TYR A 59 113.420 -4.732 13.537 1.00 0.00 O ATOM 0 H TYR A 59 111.520 0.560 12.928 1.00 0.00 H new ATOM 0 HA TYR A 59 110.012 1.294 10.402 1.00 0.00 H new ATOM 0 HB2 TYR A 59 111.249 -0.589 9.485 1.00 0.00 H new ATOM 0 HB3 TYR A 59 112.411 0.447 10.289 1.00 0.00 H new ATOM 0 HD1 TYR A 59 113.496 -0.255 12.445 1.00 0.00 H new ATOM 0 HD2 TYR A 59 110.754 -2.847 10.285 1.00 0.00 H new ATOM 0 HE1 TYR A 59 114.293 -2.220 13.787 1.00 0.00 H new ATOM 0 HE2 TYR A 59 111.554 -4.809 11.625 1.00 0.00 H new ATOM 0 HH TYR A 59 112.693 -5.382 13.630 1.00 0.00 H new ATOM 995 N ILE A 60 108.612 -0.954 10.523 1.00 0.00 N ATOM 996 CA ILE A 60 107.530 -1.948 10.806 1.00 0.00 C ATOM 997 C ILE A 60 108.031 -3.337 10.388 1.00 0.00 C ATOM 998 O ILE A 60 108.526 -3.506 9.289 1.00 0.00 O ATOM 999 CB ILE A 60 106.316 -1.508 9.964 1.00 0.00 C ATOM 1000 CG1 ILE A 60 105.874 -0.093 10.361 1.00 0.00 C ATOM 1001 CG2 ILE A 60 105.137 -2.462 10.194 1.00 0.00 C ATOM 1002 CD1 ILE A 60 104.928 0.466 9.297 1.00 0.00 C ATOM 0 H ILE A 60 108.799 -0.802 9.532 1.00 0.00 H new ATOM 0 HA ILE A 60 107.256 -1.995 11.860 1.00 0.00 H new ATOM 0 HB ILE A 60 106.612 -1.524 8.915 1.00 0.00 H new ATOM 0 HG12 ILE A 60 105.375 -0.115 11.330 1.00 0.00 H new ATOM 0 HG13 ILE A 60 106.744 0.555 10.465 1.00 0.00 H new ATOM 0 HG21 ILE A 60 104.286 -2.140 9.594 1.00 0.00 H new ATOM 0 HG22 ILE A 60 105.425 -3.472 9.904 1.00 0.00 H new ATOM 0 HG23 ILE A 60 104.861 -2.452 11.249 1.00 0.00 H new ATOM 0 HD11 ILE A 60 104.615 1.471 9.580 1.00 0.00 H new ATOM 0 HD12 ILE A 60 105.442 0.503 8.337 1.00 0.00 H new ATOM 0 HD13 ILE A 60 104.052 -0.177 9.215 1.00 0.00 H new ATOM 1014 N GLU A 61 107.903 -4.310 11.260 1.00 0.00 N ATOM 1015 CA GLU A 61 108.366 -5.696 10.946 1.00 0.00 C ATOM 1016 C GLU A 61 107.164 -6.604 10.676 1.00 0.00 C ATOM 1017 O GLU A 61 106.137 -6.473 11.320 1.00 0.00 O ATOM 1018 CB GLU A 61 109.106 -6.158 12.202 1.00 0.00 C ATOM 1019 CG GLU A 61 109.850 -7.462 11.908 1.00 0.00 C ATOM 1020 CD GLU A 61 110.493 -7.989 13.193 1.00 0.00 C ATOM 1021 OE1 GLU A 61 109.822 -7.989 14.212 1.00 0.00 O ATOM 1022 OE2 GLU A 61 111.646 -8.382 13.136 1.00 0.00 O ATOM 0 H GLU A 61 107.492 -4.199 12.187 1.00 0.00 H new ATOM 0 HA GLU A 61 109.000 -5.729 10.060 1.00 0.00 H new ATOM 0 HB2 GLU A 61 109.810 -5.391 12.525 1.00 0.00 H new ATOM 0 HB3 GLU A 61 108.400 -6.307 13.019 1.00 0.00 H new ATOM 0 HG2 GLU A 61 109.160 -8.203 11.505 1.00 0.00 H new ATOM 0 HG3 GLU A 61 110.615 -7.293 11.150 1.00 0.00 H new ATOM 1029 N THR A 62 107.291 -7.512 9.734 1.00 0.00 N ATOM 1030 CA THR A 62 106.175 -8.456 9.414 1.00 0.00 C ATOM 1031 C THR A 62 106.635 -9.911 9.559 1.00 0.00 C ATOM 1032 O THR A 62 107.711 -10.271 9.117 1.00 0.00 O ATOM 1033 CB THR A 62 105.797 -8.141 7.966 1.00 0.00 C ATOM 1034 OG1 THR A 62 106.967 -8.153 7.160 1.00 0.00 O ATOM 1035 CG2 THR A 62 105.144 -6.760 7.906 1.00 0.00 C ATOM 0 H THR A 62 108.131 -7.638 9.169 1.00 0.00 H new ATOM 0 HA THR A 62 105.329 -8.337 10.090 1.00 0.00 H new ATOM 0 HB THR A 62 105.097 -8.890 7.596 1.00 0.00 H new ATOM 0 HG1 THR A 62 107.453 -7.310 7.276 1.00 0.00 H new ATOM 0 HG21 THR A 62 104.872 -6.530 6.876 1.00 0.00 H new ATOM 0 HG22 THR A 62 104.248 -6.754 8.527 1.00 0.00 H new ATOM 0 HG23 THR A 62 105.845 -6.010 8.272 1.00 0.00 H new ATOM 1043 N GLU A 63 105.809 -10.732 10.168 1.00 0.00 N ATOM 1044 CA GLU A 63 106.228 -12.118 10.568 1.00 0.00 C ATOM 1045 C GLU A 63 106.292 -13.065 9.359 1.00 0.00 C ATOM 1046 O GLU A 63 105.896 -12.709 8.264 1.00 0.00 O ATOM 1047 CB GLU A 63 105.197 -12.598 11.607 1.00 0.00 C ATOM 1048 CG GLU A 63 103.782 -12.684 11.007 1.00 0.00 C ATOM 1049 CD GLU A 63 102.734 -12.280 12.049 1.00 0.00 C ATOM 1050 OE1 GLU A 63 102.268 -13.154 12.761 1.00 0.00 O ATOM 1051 OE2 GLU A 63 102.417 -11.104 12.115 1.00 0.00 O ATOM 0 H GLU A 63 104.846 -10.497 10.409 1.00 0.00 H new ATOM 0 HA GLU A 63 107.234 -12.112 10.988 1.00 0.00 H new ATOM 0 HB2 GLU A 63 105.491 -13.576 11.987 1.00 0.00 H new ATOM 0 HB3 GLU A 63 105.191 -11.915 12.456 1.00 0.00 H new ATOM 0 HG2 GLU A 63 103.709 -12.032 10.137 1.00 0.00 H new ATOM 0 HG3 GLU A 63 103.588 -13.699 10.661 1.00 0.00 H new ATOM 1058 N ASP A 64 106.791 -14.264 9.572 1.00 0.00 N ATOM 1059 CA ASP A 64 106.936 -15.263 8.457 1.00 0.00 C ATOM 1060 C ASP A 64 105.545 -15.704 7.987 1.00 0.00 C ATOM 1061 O ASP A 64 104.652 -15.880 8.797 1.00 0.00 O ATOM 1062 CB ASP A 64 107.700 -16.465 9.040 1.00 0.00 C ATOM 1063 CG ASP A 64 109.081 -16.033 9.543 1.00 0.00 C ATOM 1064 OD1 ASP A 64 109.890 -15.631 8.725 1.00 0.00 O ATOM 1065 OD2 ASP A 64 109.305 -16.113 10.740 1.00 0.00 O ATOM 0 H ASP A 64 107.108 -14.597 10.482 1.00 0.00 H new ATOM 0 HA ASP A 64 107.467 -14.839 7.605 1.00 0.00 H new ATOM 0 HB2 ASP A 64 107.129 -16.903 9.859 1.00 0.00 H new ATOM 0 HB3 ASP A 64 107.809 -17.237 8.279 1.00 0.00 H new ATOM 1070 N PHE A 65 105.368 -15.882 6.696 1.00 0.00 N ATOM 1071 CA PHE A 65 104.020 -16.228 6.144 1.00 0.00 C ATOM 1072 C PHE A 65 104.140 -17.324 5.079 1.00 0.00 C ATOM 1073 O PHE A 65 105.227 -17.621 4.618 1.00 0.00 O ATOM 1074 CB PHE A 65 103.485 -14.924 5.539 1.00 0.00 C ATOM 1075 CG PHE A 65 104.341 -14.351 4.431 1.00 0.00 C ATOM 1076 CD1 PHE A 65 105.389 -13.430 4.738 1.00 0.00 C ATOM 1077 CD2 PHE A 65 104.097 -14.733 3.075 1.00 0.00 C ATOM 1078 CE1 PHE A 65 106.195 -12.890 3.687 1.00 0.00 C ATOM 1079 CE2 PHE A 65 104.902 -14.193 2.025 1.00 0.00 C ATOM 1080 CZ PHE A 65 105.951 -13.272 2.330 1.00 0.00 C ATOM 0 H PHE A 65 106.107 -15.801 5.998 1.00 0.00 H new ATOM 0 HA PHE A 65 103.350 -16.618 6.910 1.00 0.00 H new ATOM 0 HB2 PHE A 65 102.482 -15.102 5.151 1.00 0.00 H new ATOM 0 HB3 PHE A 65 103.393 -14.181 6.331 1.00 0.00 H new ATOM 0 HD1 PHE A 65 105.572 -13.142 5.763 1.00 0.00 H new ATOM 0 HD2 PHE A 65 103.304 -15.429 2.844 1.00 0.00 H new ATOM 0 HE1 PHE A 65 106.988 -12.194 3.918 1.00 0.00 H new ATOM 0 HE2 PHE A 65 104.717 -14.481 1.001 1.00 0.00 H new ATOM 0 HZ PHE A 65 106.560 -12.864 1.536 1.00 0.00 H new ATOM 1090 N GLU A 66 103.029 -17.914 4.695 1.00 0.00 N ATOM 1091 CA GLU A 66 103.037 -18.968 3.634 1.00 0.00 C ATOM 1092 C GLU A 66 102.059 -18.608 2.511 1.00 0.00 C ATOM 1093 O GLU A 66 101.053 -17.961 2.741 1.00 0.00 O ATOM 1094 CB GLU A 66 102.592 -20.252 4.342 1.00 0.00 C ATOM 1095 CG GLU A 66 103.811 -20.973 4.928 1.00 0.00 C ATOM 1096 CD GLU A 66 103.369 -22.208 5.720 1.00 0.00 C ATOM 1097 OE1 GLU A 66 102.346 -22.139 6.384 1.00 0.00 O ATOM 1098 OE2 GLU A 66 104.071 -23.204 5.656 1.00 0.00 O ATOM 0 H GLU A 66 102.107 -17.705 5.079 1.00 0.00 H new ATOM 0 HA GLU A 66 104.019 -19.075 3.173 1.00 0.00 H new ATOM 0 HB2 GLU A 66 101.883 -20.014 5.135 1.00 0.00 H new ATOM 0 HB3 GLU A 66 102.075 -20.905 3.639 1.00 0.00 H new ATOM 0 HG2 GLU A 66 104.487 -21.270 4.126 1.00 0.00 H new ATOM 0 HG3 GLU A 66 104.365 -20.295 5.577 1.00 0.00 H new ATOM 1105 N PHE A 67 102.364 -19.029 1.305 1.00 0.00 N ATOM 1106 CA PHE A 67 101.436 -18.840 0.149 1.00 0.00 C ATOM 1107 C PHE A 67 101.599 -20.011 -0.824 1.00 0.00 C ATOM 1108 O PHE A 67 102.706 -20.400 -1.145 1.00 0.00 O ATOM 1109 CB PHE A 67 101.870 -17.520 -0.498 1.00 0.00 C ATOM 1110 CG PHE A 67 101.061 -17.140 -1.718 1.00 0.00 C ATOM 1111 CD1 PHE A 67 101.476 -17.583 -3.012 1.00 0.00 C ATOM 1112 CD2 PHE A 67 99.882 -16.345 -1.579 1.00 0.00 C ATOM 1113 CE1 PHE A 67 100.713 -17.229 -4.168 1.00 0.00 C ATOM 1114 CE2 PHE A 67 99.118 -15.992 -2.734 1.00 0.00 C ATOM 1115 CZ PHE A 67 99.533 -16.434 -4.028 1.00 0.00 C ATOM 0 H PHE A 67 103.236 -19.505 1.072 1.00 0.00 H new ATOM 0 HA PHE A 67 100.387 -18.809 0.444 1.00 0.00 H new ATOM 0 HB2 PHE A 67 101.792 -16.722 0.240 1.00 0.00 H new ATOM 0 HB3 PHE A 67 102.921 -17.593 -0.779 1.00 0.00 H new ATOM 0 HD1 PHE A 67 102.366 -18.185 -3.117 1.00 0.00 H new ATOM 0 HD2 PHE A 67 99.568 -16.011 -0.601 1.00 0.00 H new ATOM 0 HE1 PHE A 67 101.028 -17.562 -5.146 1.00 0.00 H new ATOM 0 HE2 PHE A 67 98.227 -15.391 -2.629 1.00 0.00 H new ATOM 0 HZ PHE A 67 98.955 -16.167 -4.901 1.00 0.00 H new ATOM 1125 N ASN A 68 100.504 -20.577 -1.290 1.00 0.00 N ATOM 1126 CA ASN A 68 100.535 -21.717 -2.273 1.00 0.00 C ATOM 1127 C ASN A 68 101.447 -22.864 -1.803 1.00 0.00 C ATOM 1128 O ASN A 68 102.077 -23.529 -2.606 1.00 0.00 O ATOM 1129 CB ASN A 68 101.043 -21.121 -3.592 1.00 0.00 C ATOM 1130 CG ASN A 68 99.959 -20.230 -4.205 1.00 0.00 C ATOM 1131 OD1 ASN A 68 99.252 -19.538 -3.498 1.00 0.00 O ATOM 1132 ND2 ASN A 68 99.799 -20.216 -5.500 1.00 0.00 N ATOM 0 H ASN A 68 99.564 -20.287 -1.022 1.00 0.00 H new ATOM 0 HA ASN A 68 99.543 -22.157 -2.381 1.00 0.00 H new ATOM 0 HB2 ASN A 68 101.948 -20.540 -3.415 1.00 0.00 H new ATOM 0 HB3 ASN A 68 101.307 -21.919 -4.286 1.00 0.00 H new ATOM 0 HD21 ASN A 68 99.081 -19.625 -5.919 1.00 0.00 H new ATOM 0 HD22 ASN A 68 100.392 -20.796 -6.093 1.00 0.00 H new ATOM 1139 N GLY A 69 101.510 -23.087 -0.509 1.00 0.00 N ATOM 1140 CA GLY A 69 102.303 -24.227 0.048 1.00 0.00 C ATOM 1141 C GLY A 69 103.808 -23.917 0.078 1.00 0.00 C ATOM 1142 O GLY A 69 104.608 -24.827 0.209 1.00 0.00 O ATOM 0 H GLY A 69 101.037 -22.517 0.193 1.00 0.00 H new ATOM 0 HA2 GLY A 69 101.958 -24.450 1.058 1.00 0.00 H new ATOM 0 HA3 GLY A 69 102.128 -25.119 -0.553 1.00 0.00 H new ATOM 1146 N LYS A 70 104.198 -22.664 -0.041 1.00 0.00 N ATOM 1147 CA LYS A 70 105.647 -22.293 -0.004 1.00 0.00 C ATOM 1148 C LYS A 70 105.897 -21.311 1.143 1.00 0.00 C ATOM 1149 O LYS A 70 105.096 -20.426 1.378 1.00 0.00 O ATOM 1150 CB LYS A 70 105.923 -21.625 -1.352 1.00 0.00 C ATOM 1151 CG LYS A 70 105.809 -22.661 -2.473 1.00 0.00 C ATOM 1152 CD LYS A 70 105.977 -21.969 -3.828 1.00 0.00 C ATOM 1153 CE LYS A 70 107.444 -21.579 -4.024 1.00 0.00 C ATOM 1154 NZ LYS A 70 107.468 -20.812 -5.302 1.00 0.00 N ATOM 0 H LYS A 70 103.562 -21.876 -0.164 1.00 0.00 H new ATOM 0 HA LYS A 70 106.295 -23.154 0.158 1.00 0.00 H new ATOM 0 HB2 LYS A 70 105.214 -20.814 -1.519 1.00 0.00 H new ATOM 0 HB3 LYS A 70 106.919 -21.182 -1.352 1.00 0.00 H new ATOM 0 HG2 LYS A 70 106.570 -23.431 -2.349 1.00 0.00 H new ATOM 0 HG3 LYS A 70 104.841 -23.159 -2.425 1.00 0.00 H new ATOM 0 HD2 LYS A 70 105.656 -22.634 -4.630 1.00 0.00 H new ATOM 0 HD3 LYS A 70 105.344 -21.083 -3.876 1.00 0.00 H new ATOM 0 HE2 LYS A 70 107.807 -20.974 -3.193 1.00 0.00 H new ATOM 0 HE3 LYS A 70 108.083 -22.460 -4.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 108.442 -20.509 -5.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 107.124 -21.416 -6.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 106.856 -19.976 -5.217 1.00 0.00 H new ATOM 1168 N ARG A 71 106.996 -21.470 1.844 1.00 0.00 N ATOM 1169 CA ARG A 71 107.286 -20.608 3.033 1.00 0.00 C ATOM 1170 C ARG A 71 108.140 -19.404 2.627 1.00 0.00 C ATOM 1171 O ARG A 71 109.129 -19.552 1.931 1.00 0.00 O ATOM 1172 CB ARG A 71 108.051 -21.507 4.008 1.00 0.00 C ATOM 1173 CG ARG A 71 107.117 -22.599 4.532 1.00 0.00 C ATOM 1174 CD ARG A 71 107.873 -23.496 5.518 1.00 0.00 C ATOM 1175 NE ARG A 71 106.903 -24.568 5.920 1.00 0.00 N ATOM 1176 CZ ARG A 71 107.288 -25.758 6.342 1.00 0.00 C ATOM 1177 NH1 ARG A 71 108.551 -26.097 6.479 1.00 0.00 N ATOM 1178 NH2 ARG A 71 106.373 -26.634 6.652 1.00 0.00 N ATOM 0 H ARG A 71 107.711 -22.168 1.640 1.00 0.00 H new ATOM 0 HA ARG A 71 106.374 -20.211 3.479 1.00 0.00 H new ATOM 0 HB2 ARG A 71 108.909 -21.956 3.509 1.00 0.00 H new ATOM 0 HB3 ARG A 71 108.438 -20.916 4.838 1.00 0.00 H new ATOM 0 HG2 ARG A 71 106.255 -22.148 5.023 1.00 0.00 H new ATOM 0 HG3 ARG A 71 106.736 -23.194 3.702 1.00 0.00 H new ATOM 0 HD2 ARG A 71 108.761 -23.926 5.054 1.00 0.00 H new ATOM 0 HD3 ARG A 71 108.210 -22.928 6.385 1.00 0.00 H new ATOM 0 HE ARG A 71 105.904 -24.369 5.865 1.00 0.00 H new ATOM 0 HH11 ARG A 71 109.286 -25.426 6.255 1.00 0.00 H new ATOM 0 HH12 ARG A 71 108.796 -27.031 6.809 1.00 0.00 H new ATOM 0 HH21 ARG A 71 105.386 -26.393 6.566 1.00 0.00 H new ATOM 0 HH22 ARG A 71 106.645 -27.561 6.981 1.00 0.00 H new ATOM 1192 N PHE A 72 107.755 -18.225 3.062 1.00 0.00 N ATOM 1193 CA PHE A 72 108.544 -16.991 2.769 1.00 0.00 C ATOM 1194 C PHE A 72 108.967 -16.327 4.082 1.00 0.00 C ATOM 1195 O PHE A 72 108.219 -16.333 5.045 1.00 0.00 O ATOM 1196 CB PHE A 72 107.590 -16.088 1.988 1.00 0.00 C ATOM 1197 CG PHE A 72 107.171 -16.666 0.656 1.00 0.00 C ATOM 1198 CD1 PHE A 72 106.143 -17.657 0.597 1.00 0.00 C ATOM 1199 CD2 PHE A 72 107.806 -16.222 -0.546 1.00 0.00 C ATOM 1200 CE1 PHE A 72 105.749 -18.204 -0.663 1.00 0.00 C ATOM 1201 CE2 PHE A 72 107.411 -16.769 -1.806 1.00 0.00 C ATOM 1202 CZ PHE A 72 106.382 -17.760 -1.865 1.00 0.00 C ATOM 0 H PHE A 72 106.913 -18.068 3.616 1.00 0.00 H new ATOM 0 HA PHE A 72 109.454 -17.197 2.205 1.00 0.00 H new ATOM 0 HB2 PHE A 72 106.701 -15.903 2.591 1.00 0.00 H new ATOM 0 HB3 PHE A 72 108.069 -15.123 1.822 1.00 0.00 H new ATOM 0 HD1 PHE A 72 105.664 -17.993 1.505 1.00 0.00 H new ATOM 0 HD2 PHE A 72 108.584 -15.474 -0.502 1.00 0.00 H new ATOM 0 HE1 PHE A 72 104.972 -18.953 -0.707 1.00 0.00 H new ATOM 0 HE2 PHE A 72 107.890 -16.434 -2.714 1.00 0.00 H new ATOM 0 HZ PHE A 72 106.083 -18.173 -2.817 1.00 0.00 H new ATOM 1212 N PHE A 73 110.146 -15.752 4.110 1.00 0.00 N ATOM 1213 CA PHE A 73 110.754 -15.307 5.404 1.00 0.00 C ATOM 1214 C PHE A 73 110.272 -13.899 5.768 1.00 0.00 C ATOM 1215 O PHE A 73 109.861 -13.141 4.909 1.00 0.00 O ATOM 1216 CB PHE A 73 112.268 -15.317 5.180 1.00 0.00 C ATOM 1217 CG PHE A 73 112.828 -16.693 4.911 1.00 0.00 C ATOM 1218 CD1 PHE A 73 113.171 -17.550 6.003 1.00 0.00 C ATOM 1219 CD2 PHE A 73 113.016 -17.139 3.566 1.00 0.00 C ATOM 1220 CE1 PHE A 73 113.701 -18.854 5.749 1.00 0.00 C ATOM 1221 CE2 PHE A 73 113.545 -18.442 3.312 1.00 0.00 C ATOM 1222 CZ PHE A 73 113.888 -19.299 4.403 1.00 0.00 C ATOM 0 H PHE A 73 110.717 -15.571 3.285 1.00 0.00 H new ATOM 0 HA PHE A 73 110.468 -15.962 6.227 1.00 0.00 H new ATOM 0 HB2 PHE A 73 112.507 -14.665 4.340 1.00 0.00 H new ATOM 0 HB3 PHE A 73 112.760 -14.898 6.058 1.00 0.00 H new ATOM 0 HD1 PHE A 73 113.030 -17.213 7.019 1.00 0.00 H new ATOM 0 HD2 PHE A 73 112.758 -16.491 2.741 1.00 0.00 H new ATOM 0 HE1 PHE A 73 113.960 -19.502 6.573 1.00 0.00 H new ATOM 0 HE2 PHE A 73 113.686 -18.779 2.296 1.00 0.00 H new ATOM 0 HZ PHE A 73 114.289 -20.283 4.211 1.00 0.00 H new ATOM 1232 N GLY A 74 110.327 -13.562 7.037 1.00 0.00 N ATOM 1233 CA GLY A 74 109.819 -12.241 7.519 1.00 0.00 C ATOM 1234 C GLY A 74 110.686 -11.111 6.961 1.00 0.00 C ATOM 1235 O GLY A 74 111.823 -11.329 6.579 1.00 0.00 O ATOM 0 H GLY A 74 110.710 -14.160 7.769 1.00 0.00 H new ATOM 0 HA2 GLY A 74 108.784 -12.104 7.206 1.00 0.00 H new ATOM 0 HA3 GLY A 74 109.829 -12.214 8.609 1.00 0.00 H new ATOM 1239 N VAL A 75 110.149 -9.914 6.921 1.00 0.00 N ATOM 1240 CA VAL A 75 110.864 -8.767 6.276 1.00 0.00 C ATOM 1241 C VAL A 75 110.707 -7.497 7.118 1.00 0.00 C ATOM 1242 O VAL A 75 109.755 -7.363 7.866 1.00 0.00 O ATOM 1243 CB VAL A 75 110.241 -8.588 4.879 1.00 0.00 C ATOM 1244 CG1 VAL A 75 110.501 -9.840 4.037 1.00 0.00 C ATOM 1245 CG2 VAL A 75 108.726 -8.349 4.968 1.00 0.00 C ATOM 0 H VAL A 75 109.236 -9.681 7.312 1.00 0.00 H new ATOM 0 HA VAL A 75 111.933 -8.962 6.196 1.00 0.00 H new ATOM 0 HB VAL A 75 110.702 -7.716 4.414 1.00 0.00 H new ATOM 0 HG11 VAL A 75 110.060 -9.712 3.049 1.00 0.00 H new ATOM 0 HG12 VAL A 75 111.575 -9.995 3.937 1.00 0.00 H new ATOM 0 HG13 VAL A 75 110.053 -10.706 4.525 1.00 0.00 H new ATOM 0 HG21 VAL A 75 108.317 -8.227 3.965 1.00 0.00 H new ATOM 0 HG22 VAL A 75 108.251 -9.202 5.452 1.00 0.00 H new ATOM 0 HG23 VAL A 75 108.533 -7.448 5.551 1.00 0.00 H new ATOM 1255 N LYS A 76 111.637 -6.579 6.992 1.00 0.00 N ATOM 1256 CA LYS A 76 111.535 -5.267 7.702 1.00 0.00 C ATOM 1257 C LYS A 76 111.420 -4.139 6.673 1.00 0.00 C ATOM 1258 O LYS A 76 112.133 -4.135 5.684 1.00 0.00 O ATOM 1259 CB LYS A 76 112.839 -5.130 8.495 1.00 0.00 C ATOM 1260 CG LYS A 76 112.921 -6.221 9.568 1.00 0.00 C ATOM 1261 CD LYS A 76 114.173 -6.004 10.420 1.00 0.00 C ATOM 1262 CE LYS A 76 114.346 -7.179 11.387 1.00 0.00 C ATOM 1263 NZ LYS A 76 115.813 -7.254 11.639 1.00 0.00 N ATOM 0 H LYS A 76 112.474 -6.687 6.419 1.00 0.00 H new ATOM 0 HA LYS A 76 110.662 -5.214 8.353 1.00 0.00 H new ATOM 0 HB2 LYS A 76 113.693 -5.207 7.822 1.00 0.00 H new ATOM 0 HB3 LYS A 76 112.888 -4.146 8.961 1.00 0.00 H new ATOM 0 HG2 LYS A 76 112.031 -6.195 10.197 1.00 0.00 H new ATOM 0 HG3 LYS A 76 112.952 -7.205 9.100 1.00 0.00 H new ATOM 0 HD2 LYS A 76 115.050 -5.915 9.779 1.00 0.00 H new ATOM 0 HD3 LYS A 76 114.089 -5.071 10.977 1.00 0.00 H new ATOM 0 HE2 LYS A 76 113.794 -7.014 12.312 1.00 0.00 H new ATOM 0 HE3 LYS A 76 113.971 -8.106 10.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 116.013 -8.037 12.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 116.312 -7.418 10.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 116.139 -6.360 12.058 1.00 0.00 H new ATOM 1277 N VAL A 77 110.536 -3.195 6.903 1.00 0.00 N ATOM 1278 CA VAL A 77 110.293 -2.102 5.906 1.00 0.00 C ATOM 1279 C VAL A 77 110.255 -0.749 6.630 1.00 0.00 C ATOM 1280 O VAL A 77 109.705 -0.644 7.711 1.00 0.00 O ATOM 1281 CB VAL A 77 108.937 -2.425 5.247 1.00 0.00 C ATOM 1282 CG1 VAL A 77 108.599 -1.381 4.176 1.00 0.00 C ATOM 1283 CG2 VAL A 77 108.983 -3.801 4.570 1.00 0.00 C ATOM 0 H VAL A 77 109.967 -3.135 7.748 1.00 0.00 H new ATOM 0 HA VAL A 77 111.080 -2.041 5.154 1.00 0.00 H new ATOM 0 HB VAL A 77 108.179 -2.418 6.030 1.00 0.00 H new ATOM 0 HG11 VAL A 77 107.639 -1.624 3.721 1.00 0.00 H new ATOM 0 HG12 VAL A 77 108.543 -0.394 4.635 1.00 0.00 H new ATOM 0 HG13 VAL A 77 109.374 -1.382 3.410 1.00 0.00 H new ATOM 0 HG21 VAL A 77 108.018 -4.013 4.110 1.00 0.00 H new ATOM 0 HG22 VAL A 77 109.758 -3.804 3.804 1.00 0.00 H new ATOM 0 HG23 VAL A 77 109.206 -4.565 5.314 1.00 0.00 H new ATOM 1293 N LEU A 78 110.836 0.269 6.034 1.00 0.00 N ATOM 1294 CA LEU A 78 110.797 1.640 6.632 1.00 0.00 C ATOM 1295 C LEU A 78 110.513 2.688 5.535 1.00 0.00 C ATOM 1296 O LEU A 78 111.233 2.713 4.555 1.00 0.00 O ATOM 1297 CB LEU A 78 112.198 1.828 7.225 1.00 0.00 C ATOM 1298 CG LEU A 78 112.303 3.166 7.967 1.00 0.00 C ATOM 1299 CD1 LEU A 78 111.439 3.140 9.230 1.00 0.00 C ATOM 1300 CD2 LEU A 78 113.761 3.397 8.368 1.00 0.00 C ATOM 0 H LEU A 78 111.340 0.205 5.150 1.00 0.00 H new ATOM 0 HA LEU A 78 110.014 1.759 7.381 1.00 0.00 H new ATOM 0 HB2 LEU A 78 112.420 1.009 7.910 1.00 0.00 H new ATOM 0 HB3 LEU A 78 112.942 1.789 6.430 1.00 0.00 H new ATOM 0 HG LEU A 78 111.956 3.966 7.313 1.00 0.00 H new ATOM 0 HD11 LEU A 78 111.522 4.096 9.748 1.00 0.00 H new ATOM 0 HD12 LEU A 78 110.399 2.965 8.956 1.00 0.00 H new ATOM 0 HD13 LEU A 78 111.780 2.340 9.888 1.00 0.00 H new ATOM 0 HD21 LEU A 78 113.847 4.346 8.897 1.00 0.00 H new ATOM 0 HD22 LEU A 78 114.092 2.588 9.019 1.00 0.00 H new ATOM 0 HD23 LEU A 78 114.385 3.422 7.474 1.00 0.00 H new ATOM 1312 N PRO A 79 109.492 3.517 5.707 1.00 0.00 N ATOM 1313 CA PRO A 79 109.198 4.595 4.705 1.00 0.00 C ATOM 1314 C PRO A 79 110.347 5.610 4.619 1.00 0.00 C ATOM 1315 O PRO A 79 111.042 5.846 5.591 1.00 0.00 O ATOM 1316 CB PRO A 79 107.936 5.263 5.263 1.00 0.00 C ATOM 1317 CG PRO A 79 107.330 4.210 6.121 1.00 0.00 C ATOM 1318 CD PRO A 79 108.496 3.560 6.798 1.00 0.00 C ATOM 0 HA PRO A 79 109.073 4.203 3.696 1.00 0.00 H new ATOM 0 HB2 PRO A 79 108.177 6.158 5.837 1.00 0.00 H new ATOM 0 HB3 PRO A 79 107.259 5.569 4.466 1.00 0.00 H new ATOM 0 HG2 PRO A 79 106.638 4.639 6.846 1.00 0.00 H new ATOM 0 HG3 PRO A 79 106.765 3.491 5.528 1.00 0.00 H new ATOM 0 HD2 PRO A 79 108.849 4.139 7.651 1.00 0.00 H new ATOM 0 HD3 PRO A 79 108.251 2.564 7.168 1.00 0.00 H new ATOM 1326 N ILE A 80 110.537 6.199 3.459 1.00 0.00 N ATOM 1327 CA ILE A 80 111.498 7.340 3.312 1.00 0.00 C ATOM 1328 C ILE A 80 110.931 8.388 2.345 1.00 0.00 C ATOM 1329 O ILE A 80 109.937 8.149 1.683 1.00 0.00 O ATOM 1330 CB ILE A 80 112.811 6.745 2.767 1.00 0.00 C ATOM 1331 CG1 ILE A 80 112.586 6.037 1.420 1.00 0.00 C ATOM 1332 CG2 ILE A 80 113.383 5.748 3.782 1.00 0.00 C ATOM 1333 CD1 ILE A 80 113.932 5.696 0.775 1.00 0.00 C ATOM 0 H ILE A 80 110.060 5.933 2.598 1.00 0.00 H new ATOM 0 HA ILE A 80 111.669 7.840 4.265 1.00 0.00 H new ATOM 0 HB ILE A 80 113.516 7.561 2.609 1.00 0.00 H new ATOM 0 HG12 ILE A 80 112.005 5.127 1.571 1.00 0.00 H new ATOM 0 HG13 ILE A 80 112.007 6.678 0.755 1.00 0.00 H new ATOM 0 HG21 ILE A 80 114.312 5.328 3.396 1.00 0.00 H new ATOM 0 HG22 ILE A 80 113.581 6.260 4.724 1.00 0.00 H new ATOM 0 HG23 ILE A 80 112.664 4.946 3.949 1.00 0.00 H new ATOM 0 HD11 ILE A 80 113.762 5.195 -0.178 1.00 0.00 H new ATOM 0 HD12 ILE A 80 114.498 6.612 0.608 1.00 0.00 H new ATOM 0 HD13 ILE A 80 114.496 5.037 1.436 1.00 0.00 H new ATOM 1345 N LYS A 81 111.565 9.534 2.270 1.00 0.00 N ATOM 1346 CA LYS A 81 111.262 10.516 1.184 1.00 0.00 C ATOM 1347 C LYS A 81 112.484 10.652 0.273 1.00 0.00 C ATOM 1348 O LYS A 81 113.586 10.847 0.752 1.00 0.00 O ATOM 1349 CB LYS A 81 110.970 11.836 1.900 1.00 0.00 C ATOM 1350 CG LYS A 81 109.682 11.711 2.717 1.00 0.00 C ATOM 1351 CD LYS A 81 108.473 11.763 1.779 1.00 0.00 C ATOM 1352 CE LYS A 81 107.188 11.892 2.602 1.00 0.00 C ATOM 1353 NZ LYS A 81 106.239 12.633 1.724 1.00 0.00 N ATOM 0 H LYS A 81 112.288 9.833 2.924 1.00 0.00 H new ATOM 0 HA LYS A 81 110.421 10.210 0.562 1.00 0.00 H new ATOM 0 HB2 LYS A 81 111.802 12.097 2.554 1.00 0.00 H new ATOM 0 HB3 LYS A 81 110.872 12.641 1.172 1.00 0.00 H new ATOM 0 HG2 LYS A 81 109.682 10.775 3.275 1.00 0.00 H new ATOM 0 HG3 LYS A 81 109.623 12.517 3.448 1.00 0.00 H new ATOM 0 HD2 LYS A 81 108.566 12.608 1.097 1.00 0.00 H new ATOM 0 HD3 LYS A 81 108.436 10.862 1.167 1.00 0.00 H new ATOM 0 HE2 LYS A 81 106.793 10.913 2.872 1.00 0.00 H new ATOM 0 HE3 LYS A 81 107.368 12.431 3.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 105.272 12.528 2.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 106.496 13.641 1.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 106.286 12.248 0.759 1.00 0.00 H new ATOM 1367 N ILE A 82 112.291 10.550 -1.021 1.00 0.00 N ATOM 1368 CA ILE A 82 113.443 10.548 -1.977 1.00 0.00 C ATOM 1369 C ILE A 82 113.490 11.902 -2.696 1.00 0.00 C ATOM 1370 O ILE A 82 112.519 12.307 -3.311 1.00 0.00 O ATOM 1371 CB ILE A 82 113.174 9.394 -2.964 1.00 0.00 C ATOM 1372 CG1 ILE A 82 113.083 8.058 -2.213 1.00 0.00 C ATOM 1373 CG2 ILE A 82 114.313 9.291 -3.987 1.00 0.00 C ATOM 1374 CD1 ILE A 82 112.464 6.997 -3.127 1.00 0.00 C ATOM 0 H ILE A 82 111.374 10.467 -1.459 1.00 0.00 H new ATOM 0 HA ILE A 82 114.404 10.405 -1.482 1.00 0.00 H new ATOM 0 HB ILE A 82 112.232 9.602 -3.472 1.00 0.00 H new ATOM 0 HG12 ILE A 82 114.075 7.742 -1.891 1.00 0.00 H new ATOM 0 HG13 ILE A 82 112.479 8.175 -1.313 1.00 0.00 H new ATOM 0 HG21 ILE A 82 114.109 8.472 -4.677 1.00 0.00 H new ATOM 0 HG22 ILE A 82 114.387 10.225 -4.544 1.00 0.00 H new ATOM 0 HG23 ILE A 82 115.253 9.103 -3.468 1.00 0.00 H new ATOM 0 HD11 ILE A 82 112.400 6.049 -2.593 1.00 0.00 H new ATOM 0 HD12 ILE A 82 111.465 7.313 -3.427 1.00 0.00 H new ATOM 0 HD13 ILE A 82 113.086 6.873 -4.013 1.00 0.00 H new ATOM 1386 N LEU A 83 114.608 12.586 -2.612 1.00 0.00 N ATOM 1387 CA LEU A 83 114.742 13.933 -3.246 1.00 0.00 C ATOM 1388 C LEU A 83 115.663 13.854 -4.467 1.00 0.00 C ATOM 1389 O LEU A 83 116.836 13.551 -4.340 1.00 0.00 O ATOM 1390 CB LEU A 83 115.362 14.827 -2.168 1.00 0.00 C ATOM 1391 CG LEU A 83 114.392 14.990 -0.994 1.00 0.00 C ATOM 1392 CD1 LEU A 83 115.117 15.651 0.180 1.00 0.00 C ATOM 1393 CD2 LEU A 83 113.214 15.869 -1.420 1.00 0.00 C ATOM 0 H LEU A 83 115.443 12.261 -2.124 1.00 0.00 H new ATOM 0 HA LEU A 83 113.783 14.319 -3.592 1.00 0.00 H new ATOM 0 HB2 LEU A 83 116.298 14.391 -1.818 1.00 0.00 H new ATOM 0 HB3 LEU A 83 115.602 15.803 -2.589 1.00 0.00 H new ATOM 0 HG LEU A 83 114.024 14.009 -0.692 1.00 0.00 H new ATOM 0 HD11 LEU A 83 114.426 15.767 1.015 1.00 0.00 H new ATOM 0 HD12 LEU A 83 115.956 15.027 0.487 1.00 0.00 H new ATOM 0 HD13 LEU A 83 115.485 16.631 -0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 83 112.525 15.984 -0.584 1.00 0.00 H new ATOM 0 HD22 LEU A 83 113.582 16.849 -1.724 1.00 0.00 H new ATOM 0 HD23 LEU A 83 112.695 15.401 -2.256 1.00 0.00 H new ATOM 1405 N ILE A 84 115.130 14.126 -5.637 1.00 0.00 N ATOM 1406 CA ILE A 84 115.956 14.143 -6.884 1.00 0.00 C ATOM 1407 C ILE A 84 115.676 15.454 -7.627 1.00 0.00 C ATOM 1408 O ILE A 84 114.543 15.740 -7.968 1.00 0.00 O ATOM 1409 CB ILE A 84 115.512 12.917 -7.708 1.00 0.00 C ATOM 1410 CG1 ILE A 84 115.756 11.626 -6.915 1.00 0.00 C ATOM 1411 CG2 ILE A 84 116.310 12.836 -9.016 1.00 0.00 C ATOM 1412 CD1 ILE A 84 115.004 10.465 -7.572 1.00 0.00 C ATOM 0 H ILE A 84 114.143 14.340 -5.780 1.00 0.00 H new ATOM 0 HA ILE A 84 117.027 14.092 -6.690 1.00 0.00 H new ATOM 0 HB ILE A 84 114.450 13.026 -7.926 1.00 0.00 H new ATOM 0 HG12 ILE A 84 116.823 11.406 -6.879 1.00 0.00 H new ATOM 0 HG13 ILE A 84 115.422 11.752 -5.885 1.00 0.00 H new ATOM 0 HG21 ILE A 84 115.986 11.966 -9.587 1.00 0.00 H new ATOM 0 HG22 ILE A 84 116.140 13.739 -9.603 1.00 0.00 H new ATOM 0 HG23 ILE A 84 117.372 12.746 -8.789 1.00 0.00 H new ATOM 0 HD11 ILE A 84 115.180 9.550 -7.006 1.00 0.00 H new ATOM 0 HD12 ILE A 84 113.936 10.684 -7.585 1.00 0.00 H new ATOM 0 HD13 ILE A 84 115.360 10.333 -8.594 1.00 0.00 H new ATOM 1424 N GLY A 85 116.699 16.244 -7.869 1.00 0.00 N ATOM 1425 CA GLY A 85 116.520 17.566 -8.549 1.00 0.00 C ATOM 1426 C GLY A 85 115.683 18.497 -7.664 1.00 0.00 C ATOM 1427 O GLY A 85 116.066 18.800 -6.547 1.00 0.00 O ATOM 0 H GLY A 85 117.663 16.023 -7.620 1.00 0.00 H new ATOM 0 HA2 GLY A 85 117.492 18.017 -8.749 1.00 0.00 H new ATOM 0 HA3 GLY A 85 116.029 17.426 -9.512 1.00 0.00 H new ATOM 1431 N ASN A 86 114.554 18.945 -8.165 1.00 0.00 N ATOM 1432 CA ASN A 86 113.618 19.783 -7.349 1.00 0.00 C ATOM 1433 C ASN A 86 112.314 19.034 -7.020 1.00 0.00 C ATOM 1434 O ASN A 86 111.338 19.658 -6.643 1.00 0.00 O ATOM 1435 CB ASN A 86 113.341 21.038 -8.195 1.00 0.00 C ATOM 1436 CG ASN A 86 112.696 20.681 -9.543 1.00 0.00 C ATOM 1437 OD1 ASN A 86 113.186 19.834 -10.262 1.00 0.00 O ATOM 1438 ND2 ASN A 86 111.608 21.300 -9.913 1.00 0.00 N ATOM 0 H ASN A 86 114.239 18.762 -9.118 1.00 0.00 H new ATOM 0 HA ASN A 86 114.059 20.035 -6.384 1.00 0.00 H new ATOM 0 HB2 ASN A 86 112.684 21.711 -7.644 1.00 0.00 H new ATOM 0 HB3 ASN A 86 114.274 21.574 -8.368 1.00 0.00 H new ATOM 0 HD21 ASN A 86 111.170 21.072 -10.806 1.00 0.00 H new ATOM 0 HD22 ASN A 86 111.196 22.012 -9.310 1.00 0.00 H new ATOM 1445 N LYS A 87 112.291 17.723 -7.156 1.00 0.00 N ATOM 1446 CA LYS A 87 111.028 16.946 -6.955 1.00 0.00 C ATOM 1447 C LYS A 87 111.193 15.941 -5.812 1.00 0.00 C ATOM 1448 O LYS A 87 112.255 15.372 -5.638 1.00 0.00 O ATOM 1449 CB LYS A 87 110.799 16.213 -8.279 1.00 0.00 C ATOM 1450 CG LYS A 87 110.468 17.226 -9.377 1.00 0.00 C ATOM 1451 CD LYS A 87 110.133 16.483 -10.672 1.00 0.00 C ATOM 1452 CE LYS A 87 109.910 17.495 -11.798 1.00 0.00 C ATOM 1453 NZ LYS A 87 109.358 16.697 -12.929 1.00 0.00 N ATOM 0 H LYS A 87 113.104 17.158 -7.400 1.00 0.00 H new ATOM 0 HA LYS A 87 110.189 17.590 -6.691 1.00 0.00 H new ATOM 0 HB2 LYS A 87 111.689 15.645 -8.550 1.00 0.00 H new ATOM 0 HB3 LYS A 87 109.984 15.497 -8.173 1.00 0.00 H new ATOM 0 HG2 LYS A 87 109.625 17.846 -9.072 1.00 0.00 H new ATOM 0 HG3 LYS A 87 111.314 17.894 -9.537 1.00 0.00 H new ATOM 0 HD2 LYS A 87 110.944 15.804 -10.934 1.00 0.00 H new ATOM 0 HD3 LYS A 87 109.240 15.874 -10.534 1.00 0.00 H new ATOM 0 HE2 LYS A 87 109.217 18.279 -11.493 1.00 0.00 H new ATOM 0 HE3 LYS A 87 110.842 17.985 -12.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 109.179 17.323 -13.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 110.042 15.963 -13.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 108.467 16.248 -12.635 1.00 0.00 H new ATOM 1467 N LYS A 88 110.146 15.728 -5.044 1.00 0.00 N ATOM 1468 CA LYS A 88 110.191 14.731 -3.927 1.00 0.00 C ATOM 1469 C LYS A 88 109.082 13.685 -4.103 1.00 0.00 C ATOM 1470 O LYS A 88 107.932 14.028 -4.314 1.00 0.00 O ATOM 1471 CB LYS A 88 110.014 15.538 -2.628 1.00 0.00 C ATOM 1472 CG LYS A 88 108.683 16.302 -2.605 1.00 0.00 C ATOM 1473 CD LYS A 88 108.587 17.116 -1.314 1.00 0.00 C ATOM 1474 CE LYS A 88 107.166 17.664 -1.159 1.00 0.00 C ATOM 1475 NZ LYS A 88 107.069 18.768 -2.153 1.00 0.00 N ATOM 0 H LYS A 88 109.253 16.210 -5.147 1.00 0.00 H new ATOM 0 HA LYS A 88 111.131 14.180 -3.909 1.00 0.00 H new ATOM 0 HB2 LYS A 88 110.060 14.864 -1.773 1.00 0.00 H new ATOM 0 HB3 LYS A 88 110.839 16.243 -2.523 1.00 0.00 H new ATOM 0 HG2 LYS A 88 108.615 16.962 -3.470 1.00 0.00 H new ATOM 0 HG3 LYS A 88 107.849 15.603 -2.670 1.00 0.00 H new ATOM 0 HD2 LYS A 88 108.842 16.491 -0.458 1.00 0.00 H new ATOM 0 HD3 LYS A 88 109.304 17.937 -1.335 1.00 0.00 H new ATOM 0 HE2 LYS A 88 106.422 16.892 -1.353 1.00 0.00 H new ATOM 0 HE3 LYS A 88 106.991 18.028 -0.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 106.843 19.657 -1.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 107.977 18.868 -2.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 106.319 18.551 -2.840 1.00 0.00 H new ATOM 1489 N ILE A 89 109.435 12.423 -4.019 1.00 0.00 N ATOM 1490 CA ILE A 89 108.430 11.322 -4.174 1.00 0.00 C ATOM 1491 C ILE A 89 108.527 10.388 -2.959 1.00 0.00 C ATOM 1492 O ILE A 89 109.599 10.190 -2.419 1.00 0.00 O ATOM 1493 CB ILE A 89 108.801 10.591 -5.480 1.00 0.00 C ATOM 1494 CG1 ILE A 89 108.737 11.557 -6.670 1.00 0.00 C ATOM 1495 CG2 ILE A 89 107.819 9.441 -5.745 1.00 0.00 C ATOM 1496 CD1 ILE A 89 109.446 10.935 -7.875 1.00 0.00 C ATOM 0 H ILE A 89 110.389 12.106 -3.847 1.00 0.00 H new ATOM 0 HA ILE A 89 107.404 11.688 -4.224 1.00 0.00 H new ATOM 0 HB ILE A 89 109.813 10.202 -5.369 1.00 0.00 H new ATOM 0 HG12 ILE A 89 107.698 11.775 -6.919 1.00 0.00 H new ATOM 0 HG13 ILE A 89 109.207 12.505 -6.408 1.00 0.00 H new ATOM 0 HG21 ILE A 89 108.093 8.934 -6.670 1.00 0.00 H new ATOM 0 HG22 ILE A 89 107.857 8.732 -4.918 1.00 0.00 H new ATOM 0 HG23 ILE A 89 106.808 9.839 -5.835 1.00 0.00 H new ATOM 0 HD11 ILE A 89 109.399 11.623 -8.719 1.00 0.00 H new ATOM 0 HD12 ILE A 89 110.488 10.740 -7.623 1.00 0.00 H new ATOM 0 HD13 ILE A 89 108.956 9.999 -8.142 1.00 0.00 H new ATOM 1508 N ASP A 90 107.414 9.828 -2.541 1.00 0.00 N ATOM 1509 CA ASP A 90 107.422 8.862 -1.392 1.00 0.00 C ATOM 1510 C ASP A 90 108.017 7.524 -1.838 1.00 0.00 C ATOM 1511 O ASP A 90 107.692 7.030 -2.904 1.00 0.00 O ATOM 1512 CB ASP A 90 105.960 8.678 -0.975 1.00 0.00 C ATOM 1513 CG ASP A 90 105.415 9.995 -0.417 1.00 0.00 C ATOM 1514 OD1 ASP A 90 105.490 10.989 -1.120 1.00 0.00 O ATOM 1515 OD2 ASP A 90 104.934 9.986 0.703 1.00 0.00 O ATOM 0 H ASP A 90 106.495 10.000 -2.949 1.00 0.00 H new ATOM 0 HA ASP A 90 108.025 9.232 -0.563 1.00 0.00 H new ATOM 0 HB2 ASP A 90 105.365 8.360 -1.831 1.00 0.00 H new ATOM 0 HB3 ASP A 90 105.882 7.893 -0.223 1.00 0.00 H new ATOM 1520 N GLY A 91 108.877 6.947 -1.029 1.00 0.00 N ATOM 1521 CA GLY A 91 109.467 5.612 -1.349 1.00 0.00 C ATOM 1522 C GLY A 91 109.663 4.827 -0.051 1.00 0.00 C ATOM 1523 O GLY A 91 109.149 5.212 0.983 1.00 0.00 O ATOM 0 H GLY A 91 109.197 7.353 -0.150 1.00 0.00 H new ATOM 0 HA2 GLY A 91 108.811 5.063 -2.025 1.00 0.00 H new ATOM 0 HA3 GLY A 91 110.421 5.736 -1.861 1.00 0.00 H new ATOM 1527 N ALA A 92 110.401 3.742 -0.107 1.00 0.00 N ATOM 1528 CA ALA A 92 110.662 2.924 1.117 1.00 0.00 C ATOM 1529 C ALA A 92 111.897 2.041 0.917 1.00 0.00 C ATOM 1530 O ALA A 92 112.257 1.726 -0.202 1.00 0.00 O ATOM 1531 CB ALA A 92 109.407 2.068 1.300 1.00 0.00 C ATOM 0 H ALA A 92 110.837 3.387 -0.958 1.00 0.00 H new ATOM 0 HA ALA A 92 110.860 3.544 1.991 1.00 0.00 H new ATOM 0 HB1 ALA A 92 109.522 1.437 2.182 1.00 0.00 H new ATOM 0 HB2 ALA A 92 108.540 2.716 1.428 1.00 0.00 H new ATOM 0 HB3 ALA A 92 109.264 1.440 0.421 1.00 0.00 H new ATOM 1537 N ILE A 93 112.533 1.650 1.998 1.00 0.00 N ATOM 1538 CA ILE A 93 113.732 0.758 1.914 1.00 0.00 C ATOM 1539 C ILE A 93 113.340 -0.630 2.433 1.00 0.00 C ATOM 1540 O ILE A 93 112.588 -0.742 3.385 1.00 0.00 O ATOM 1541 CB ILE A 93 114.808 1.398 2.814 1.00 0.00 C ATOM 1542 CG1 ILE A 93 115.135 2.823 2.345 1.00 0.00 C ATOM 1543 CG2 ILE A 93 116.100 0.574 2.765 1.00 0.00 C ATOM 1544 CD1 ILE A 93 115.898 3.560 3.447 1.00 0.00 C ATOM 0 H ILE A 93 112.267 1.916 2.946 1.00 0.00 H new ATOM 0 HA ILE A 93 114.106 0.648 0.896 1.00 0.00 H new ATOM 0 HB ILE A 93 114.413 1.425 3.830 1.00 0.00 H new ATOM 0 HG12 ILE A 93 115.733 2.789 1.434 1.00 0.00 H new ATOM 0 HG13 ILE A 93 114.216 3.358 2.104 1.00 0.00 H new ATOM 0 HG21 ILE A 93 116.851 1.037 3.405 1.00 0.00 H new ATOM 0 HG22 ILE A 93 115.899 -0.439 3.115 1.00 0.00 H new ATOM 0 HG23 ILE A 93 116.469 0.537 1.740 1.00 0.00 H new ATOM 0 HD11 ILE A 93 116.130 4.572 3.115 1.00 0.00 H new ATOM 0 HD12 ILE A 93 115.284 3.606 4.347 1.00 0.00 H new ATOM 0 HD13 ILE A 93 116.824 3.028 3.666 1.00 0.00 H new ATOM 1556 N VAL A 94 113.850 -1.670 1.810 1.00 0.00 N ATOM 1557 CA VAL A 94 113.456 -3.067 2.181 1.00 0.00 C ATOM 1558 C VAL A 94 114.709 -3.855 2.587 1.00 0.00 C ATOM 1559 O VAL A 94 115.706 -3.839 1.887 1.00 0.00 O ATOM 1560 CB VAL A 94 112.796 -3.668 0.924 1.00 0.00 C ATOM 1561 CG1 VAL A 94 112.324 -5.101 1.198 1.00 0.00 C ATOM 1562 CG2 VAL A 94 111.574 -2.837 0.513 1.00 0.00 C ATOM 0 H VAL A 94 114.530 -1.607 1.052 1.00 0.00 H new ATOM 0 HA VAL A 94 112.767 -3.098 3.025 1.00 0.00 H new ATOM 0 HB VAL A 94 113.539 -3.665 0.126 1.00 0.00 H new ATOM 0 HG11 VAL A 94 111.861 -5.509 0.300 1.00 0.00 H new ATOM 0 HG12 VAL A 94 113.178 -5.718 1.479 1.00 0.00 H new ATOM 0 HG13 VAL A 94 111.598 -5.096 2.011 1.00 0.00 H new ATOM 0 HG21 VAL A 94 111.119 -3.274 -0.376 1.00 0.00 H new ATOM 0 HG22 VAL A 94 110.848 -2.830 1.326 1.00 0.00 H new ATOM 0 HG23 VAL A 94 111.885 -1.815 0.296 1.00 0.00 H new ATOM 1572 N VAL A 95 114.649 -4.535 3.710 1.00 0.00 N ATOM 1573 CA VAL A 95 115.780 -5.411 4.151 1.00 0.00 C ATOM 1574 C VAL A 95 115.191 -6.692 4.779 1.00 0.00 C ATOM 1575 O VAL A 95 114.277 -6.584 5.575 1.00 0.00 O ATOM 1576 CB VAL A 95 116.566 -4.588 5.190 1.00 0.00 C ATOM 1577 CG1 VAL A 95 117.761 -5.391 5.717 1.00 0.00 C ATOM 1578 CG2 VAL A 95 117.102 -3.300 4.552 1.00 0.00 C ATOM 0 H VAL A 95 113.852 -4.518 4.347 1.00 0.00 H new ATOM 0 HA VAL A 95 116.433 -5.712 3.332 1.00 0.00 H new ATOM 0 HB VAL A 95 115.887 -4.349 6.009 1.00 0.00 H new ATOM 0 HG11 VAL A 95 118.305 -4.795 6.450 1.00 0.00 H new ATOM 0 HG12 VAL A 95 117.405 -6.307 6.187 1.00 0.00 H new ATOM 0 HG13 VAL A 95 118.424 -5.642 4.889 1.00 0.00 H new ATOM 0 HG21 VAL A 95 117.655 -2.728 5.297 1.00 0.00 H new ATOM 0 HG22 VAL A 95 117.764 -3.552 3.723 1.00 0.00 H new ATOM 0 HG23 VAL A 95 116.268 -2.703 4.182 1.00 0.00 H new ATOM 1588 N PRO A 96 115.704 -7.863 4.422 1.00 0.00 N ATOM 1589 CA PRO A 96 115.204 -9.144 5.028 1.00 0.00 C ATOM 1590 C PRO A 96 115.343 -9.146 6.558 1.00 0.00 C ATOM 1591 O PRO A 96 116.179 -8.448 7.104 1.00 0.00 O ATOM 1592 CB PRO A 96 116.117 -10.204 4.408 1.00 0.00 C ATOM 1593 CG PRO A 96 116.541 -9.593 3.119 1.00 0.00 C ATOM 1594 CD PRO A 96 116.768 -8.146 3.436 1.00 0.00 C ATOM 0 HA PRO A 96 114.144 -9.309 4.833 1.00 0.00 H new ATOM 0 HB2 PRO A 96 116.972 -10.421 5.049 1.00 0.00 H new ATOM 0 HB3 PRO A 96 115.589 -11.145 4.251 1.00 0.00 H new ATOM 0 HG2 PRO A 96 117.449 -10.062 2.739 1.00 0.00 H new ATOM 0 HG3 PRO A 96 115.775 -9.714 2.353 1.00 0.00 H new ATOM 0 HD2 PRO A 96 117.761 -7.972 3.850 1.00 0.00 H new ATOM 0 HD3 PRO A 96 116.678 -7.518 2.550 1.00 0.00 H new ATOM 1602 N LYS A 97 114.527 -9.925 7.233 1.00 0.00 N ATOM 1603 CA LYS A 97 114.581 -9.995 8.733 1.00 0.00 C ATOM 1604 C LYS A 97 115.918 -10.582 9.201 1.00 0.00 C ATOM 1605 O LYS A 97 116.439 -10.186 10.229 1.00 0.00 O ATOM 1606 CB LYS A 97 113.424 -10.906 9.164 1.00 0.00 C ATOM 1607 CG LYS A 97 113.242 -10.832 10.681 1.00 0.00 C ATOM 1608 CD LYS A 97 112.178 -11.840 11.118 1.00 0.00 C ATOM 1609 CE LYS A 97 111.909 -11.684 12.616 1.00 0.00 C ATOM 1610 NZ LYS A 97 110.513 -12.165 12.809 1.00 0.00 N ATOM 0 H LYS A 97 113.819 -10.521 6.805 1.00 0.00 H new ATOM 0 HA LYS A 97 114.493 -9.002 9.173 1.00 0.00 H new ATOM 0 HB2 LYS A 97 112.505 -10.603 8.663 1.00 0.00 H new ATOM 0 HB3 LYS A 97 113.627 -11.934 8.863 1.00 0.00 H new ATOM 0 HG2 LYS A 97 114.187 -11.044 11.182 1.00 0.00 H new ATOM 0 HG3 LYS A 97 112.946 -9.825 10.973 1.00 0.00 H new ATOM 0 HD2 LYS A 97 111.259 -11.681 10.555 1.00 0.00 H new ATOM 0 HD3 LYS A 97 112.513 -12.855 10.902 1.00 0.00 H new ATOM 0 HE2 LYS A 97 112.613 -12.270 13.207 1.00 0.00 H new ATOM 0 HE3 LYS A 97 112.016 -10.646 12.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 110.255 -12.089 13.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 109.864 -11.585 12.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 110.443 -13.158 12.508 1.00 0.00 H new ATOM 1624 N LYS A 98 116.463 -11.512 8.450 1.00 0.00 N ATOM 1625 CA LYS A 98 117.728 -12.199 8.867 1.00 0.00 C ATOM 1626 C LYS A 98 118.948 -11.405 8.389 1.00 0.00 C ATOM 1627 O LYS A 98 119.140 -11.222 7.200 1.00 0.00 O ATOM 1628 CB LYS A 98 117.692 -13.578 8.203 1.00 0.00 C ATOM 1629 CG LYS A 98 118.770 -14.471 8.821 1.00 0.00 C ATOM 1630 CD LYS A 98 118.975 -15.708 7.943 1.00 0.00 C ATOM 1631 CE LYS A 98 117.777 -16.649 8.096 1.00 0.00 C ATOM 1632 NZ LYS A 98 118.065 -17.441 9.325 1.00 0.00 N ATOM 0 H LYS A 98 116.081 -11.827 7.558 1.00 0.00 H new ATOM 0 HA LYS A 98 117.803 -12.279 9.951 1.00 0.00 H new ATOM 0 HB2 LYS A 98 116.710 -14.031 8.335 1.00 0.00 H new ATOM 0 HB3 LYS A 98 117.857 -13.481 7.130 1.00 0.00 H new ATOM 0 HG2 LYS A 98 119.705 -13.919 8.914 1.00 0.00 H new ATOM 0 HG3 LYS A 98 118.476 -14.771 9.827 1.00 0.00 H new ATOM 0 HD2 LYS A 98 119.087 -15.412 6.900 1.00 0.00 H new ATOM 0 HD3 LYS A 98 119.893 -16.222 8.229 1.00 0.00 H new ATOM 0 HE2 LYS A 98 116.846 -16.090 8.195 1.00 0.00 H new ATOM 0 HE3 LYS A 98 117.669 -17.296 7.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 117.181 -17.607 9.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 118.486 -18.354 9.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 118.730 -16.916 9.929 1.00 0.00 H new ATOM 1646 N THR A 99 119.759 -10.942 9.312 1.00 0.00 N ATOM 1647 CA THR A 99 121.009 -10.205 8.950 1.00 0.00 C ATOM 1648 C THR A 99 122.194 -10.761 9.745 1.00 0.00 C ATOM 1649 O THR A 99 122.006 -11.402 10.764 1.00 0.00 O ATOM 1650 CB THR A 99 120.741 -8.748 9.335 1.00 0.00 C ATOM 1651 OG1 THR A 99 120.306 -8.690 10.687 1.00 0.00 O ATOM 1652 CG2 THR A 99 119.659 -8.165 8.423 1.00 0.00 C ATOM 0 H THR A 99 119.604 -11.046 10.315 1.00 0.00 H new ATOM 0 HA THR A 99 121.256 -10.305 7.893 1.00 0.00 H new ATOM 0 HB THR A 99 121.657 -8.168 9.222 1.00 0.00 H new ATOM 0 HG1 THR A 99 120.135 -7.758 10.936 1.00 0.00 H new ATOM 0 HG21 THR A 99 119.470 -7.128 8.699 1.00 0.00 H new ATOM 0 HG22 THR A 99 119.994 -8.209 7.387 1.00 0.00 H new ATOM 0 HG23 THR A 99 118.741 -8.742 8.532 1.00 0.00 H new ATOM 1660 N TYR A 100 123.399 -10.517 9.281 1.00 0.00 N ATOM 1661 CA TYR A 100 124.620 -11.019 9.988 1.00 0.00 C ATOM 1662 C TYR A 100 125.601 -9.873 10.261 1.00 0.00 C ATOM 1663 O TYR A 100 126.161 -9.788 11.340 1.00 0.00 O ATOM 1664 CB TYR A 100 125.233 -12.064 9.048 1.00 0.00 C ATOM 1665 CG TYR A 100 125.611 -11.533 7.683 1.00 0.00 C ATOM 1666 CD1 TYR A 100 124.621 -11.430 6.656 1.00 0.00 C ATOM 1667 CD2 TYR A 100 126.958 -11.134 7.420 1.00 0.00 C ATOM 1668 CE1 TYR A 100 124.980 -10.930 5.367 1.00 0.00 C ATOM 1669 CE2 TYR A 100 127.315 -10.634 6.130 1.00 0.00 C ATOM 1670 CZ TYR A 100 126.327 -10.531 5.103 1.00 0.00 C ATOM 1671 OH TYR A 100 126.672 -10.047 3.858 1.00 0.00 O ATOM 0 H TYR A 100 123.589 -9.985 8.432 1.00 0.00 H new ATOM 0 HA TYR A 100 124.380 -11.449 10.960 1.00 0.00 H new ATOM 0 HB2 TYR A 100 126.122 -12.482 9.520 1.00 0.00 H new ATOM 0 HB3 TYR A 100 124.524 -12.882 8.922 1.00 0.00 H new ATOM 0 HD1 TYR A 100 123.603 -11.730 6.855 1.00 0.00 H new ATOM 0 HD2 TYR A 100 127.705 -11.210 8.196 1.00 0.00 H new ATOM 0 HE1 TYR A 100 124.233 -10.853 4.591 1.00 0.00 H new ATOM 0 HE2 TYR A 100 128.333 -10.334 5.931 1.00 0.00 H new ATOM 0 HH TYR A 100 127.625 -9.821 3.848 1.00 0.00 H new ATOM 1681 N HIS A 101 125.803 -9.004 9.297 1.00 0.00 N ATOM 1682 CA HIS A 101 126.733 -7.845 9.477 1.00 0.00 C ATOM 1683 C HIS A 101 126.108 -6.572 8.898 1.00 0.00 C ATOM 1684 O HIS A 101 125.030 -6.616 8.332 1.00 0.00 O ATOM 1685 CB HIS A 101 127.997 -8.218 8.698 1.00 0.00 C ATOM 1686 CG HIS A 101 128.859 -9.252 9.375 1.00 0.00 C ATOM 1687 ND1 HIS A 101 128.736 -9.566 10.720 1.00 0.00 N ATOM 1688 CD2 HIS A 101 129.872 -10.048 8.898 1.00 0.00 C ATOM 1689 CE1 HIS A 101 129.648 -10.512 11.002 1.00 0.00 C ATOM 1690 NE2 HIS A 101 130.368 -10.844 9.928 1.00 0.00 N ATOM 0 H HIS A 101 125.356 -9.051 8.381 1.00 0.00 H new ATOM 0 HA HIS A 101 126.946 -7.650 10.528 1.00 0.00 H new ATOM 0 HB2 HIS A 101 127.708 -8.590 7.715 1.00 0.00 H new ATOM 0 HB3 HIS A 101 128.589 -7.317 8.536 1.00 0.00 H new ATOM 0 HD1 HIS A 101 128.073 -9.154 11.377 1.00 0.00 H new ATOM 0 HD2 HIS A 101 130.230 -10.056 7.879 1.00 0.00 H new ATOM 0 HE1 HIS A 101 129.782 -10.951 11.980 1.00 0.00 H new ATOM 1698 N SER A 102 126.784 -5.454 9.043 1.00 0.00 N ATOM 1699 CA SER A 102 126.277 -4.165 8.481 1.00 0.00 C ATOM 1700 C SER A 102 126.982 -3.859 7.155 1.00 0.00 C ATOM 1701 O SER A 102 128.135 -4.207 6.976 1.00 0.00 O ATOM 1702 CB SER A 102 126.626 -3.109 9.531 1.00 0.00 C ATOM 1703 OG SER A 102 125.999 -3.446 10.760 1.00 0.00 O ATOM 0 H SER A 102 127.676 -5.383 9.533 1.00 0.00 H new ATOM 0 HA SER A 102 125.207 -4.194 8.276 1.00 0.00 H new ATOM 0 HB2 SER A 102 127.707 -3.054 9.663 1.00 0.00 H new ATOM 0 HB3 SER A 102 126.295 -2.125 9.198 1.00 0.00 H new ATOM 0 HG SER A 102 125.050 -3.203 10.721 1.00 0.00 H new ATOM 1709 N SER A 103 126.292 -3.214 6.243 1.00 0.00 N ATOM 1710 CA SER A 103 126.865 -2.936 4.891 1.00 0.00 C ATOM 1711 C SER A 103 126.584 -1.488 4.476 1.00 0.00 C ATOM 1712 O SER A 103 125.851 -0.782 5.146 1.00 0.00 O ATOM 1713 CB SER A 103 126.153 -3.909 3.951 1.00 0.00 C ATOM 1714 OG SER A 103 126.420 -5.242 4.366 1.00 0.00 O ATOM 0 H SER A 103 125.344 -2.865 6.383 1.00 0.00 H new ATOM 0 HA SER A 103 127.947 -3.064 4.871 1.00 0.00 H new ATOM 0 HB2 SER A 103 125.079 -3.721 3.960 1.00 0.00 H new ATOM 0 HB3 SER A 103 126.495 -3.759 2.927 1.00 0.00 H new ATOM 0 HG SER A 103 125.964 -5.869 3.767 1.00 0.00 H new ATOM 1720 N GLU A 104 127.169 -1.057 3.381 1.00 0.00 N ATOM 1721 CA GLU A 104 126.920 0.320 2.854 1.00 0.00 C ATOM 1722 C GLU A 104 126.047 0.275 1.593 1.00 0.00 C ATOM 1723 O GLU A 104 126.134 1.160 0.762 1.00 0.00 O ATOM 1724 CB GLU A 104 128.311 0.872 2.518 1.00 0.00 C ATOM 1725 CG GLU A 104 128.902 1.579 3.741 1.00 0.00 C ATOM 1726 CD GLU A 104 130.350 1.982 3.452 1.00 0.00 C ATOM 1727 OE1 GLU A 104 131.077 1.166 2.910 1.00 0.00 O ATOM 1728 OE2 GLU A 104 130.708 3.102 3.781 1.00 0.00 O ATOM 0 H GLU A 104 127.818 -1.612 2.824 1.00 0.00 H new ATOM 0 HA GLU A 104 126.390 0.940 3.577 1.00 0.00 H new ATOM 0 HB2 GLU A 104 128.967 0.060 2.204 1.00 0.00 H new ATOM 0 HB3 GLU A 104 128.243 1.568 1.682 1.00 0.00 H new ATOM 0 HG2 GLU A 104 128.310 2.461 3.985 1.00 0.00 H new ATOM 0 HG3 GLU A 104 128.864 0.920 4.608 1.00 0.00 H new ATOM 1735 N ILE A 105 125.220 -0.737 1.450 1.00 0.00 N ATOM 1736 CA ILE A 105 124.336 -0.851 0.244 1.00 0.00 C ATOM 1737 C ILE A 105 122.874 -0.933 0.702 1.00 0.00 C ATOM 1738 O ILE A 105 122.530 -1.758 1.529 1.00 0.00 O ATOM 1739 CB ILE A 105 124.766 -2.144 -0.482 1.00 0.00 C ATOM 1740 CG1 ILE A 105 126.269 -2.127 -0.834 1.00 0.00 C ATOM 1741 CG2 ILE A 105 123.945 -2.334 -1.767 1.00 0.00 C ATOM 1742 CD1 ILE A 105 126.637 -0.932 -1.728 1.00 0.00 C ATOM 0 H ILE A 105 125.120 -1.496 2.124 1.00 0.00 H new ATOM 0 HA ILE A 105 124.425 0.007 -0.422 1.00 0.00 H new ATOM 0 HB ILE A 105 124.582 -2.975 0.199 1.00 0.00 H new ATOM 0 HG12 ILE A 105 126.856 -2.088 0.084 1.00 0.00 H new ATOM 0 HG13 ILE A 105 126.533 -3.055 -1.342 1.00 0.00 H new ATOM 0 HG21 ILE A 105 124.260 -3.250 -2.268 1.00 0.00 H new ATOM 0 HG22 ILE A 105 122.887 -2.403 -1.516 1.00 0.00 H new ATOM 0 HG23 ILE A 105 124.106 -1.484 -2.430 1.00 0.00 H new ATOM 0 HD11 ILE A 105 127.704 -0.959 -1.951 1.00 0.00 H new ATOM 0 HD12 ILE A 105 126.070 -0.985 -2.658 1.00 0.00 H new ATOM 0 HD13 ILE A 105 126.398 -0.003 -1.210 1.00 0.00 H new ATOM 1754 N ILE A 106 122.030 -0.081 0.167 1.00 0.00 N ATOM 1755 CA ILE A 106 120.570 -0.116 0.503 1.00 0.00 C ATOM 1756 C ILE A 106 119.737 -0.241 -0.778 1.00 0.00 C ATOM 1757 O ILE A 106 120.089 0.323 -1.799 1.00 0.00 O ATOM 1758 CB ILE A 106 120.258 1.199 1.243 1.00 0.00 C ATOM 1759 CG1 ILE A 106 120.631 2.423 0.393 1.00 0.00 C ATOM 1760 CG2 ILE A 106 121.040 1.245 2.557 1.00 0.00 C ATOM 1761 CD1 ILE A 106 119.999 3.679 0.997 1.00 0.00 C ATOM 0 H ILE A 106 122.295 0.647 -0.497 1.00 0.00 H new ATOM 0 HA ILE A 106 120.324 -0.974 1.128 1.00 0.00 H new ATOM 0 HB ILE A 106 119.186 1.229 1.439 1.00 0.00 H new ATOM 0 HG12 ILE A 106 121.715 2.533 0.351 1.00 0.00 H new ATOM 0 HG13 ILE A 106 120.285 2.286 -0.631 1.00 0.00 H new ATOM 0 HG21 ILE A 106 120.819 2.176 3.080 1.00 0.00 H new ATOM 0 HG22 ILE A 106 120.751 0.400 3.182 1.00 0.00 H new ATOM 0 HG23 ILE A 106 122.108 1.192 2.347 1.00 0.00 H new ATOM 0 HD11 ILE A 106 120.265 4.546 0.393 1.00 0.00 H new ATOM 0 HD12 ILE A 106 118.915 3.568 1.016 1.00 0.00 H new ATOM 0 HD13 ILE A 106 120.367 3.819 2.014 1.00 0.00 H new ATOM 1773 N GLU A 107 118.647 -0.974 -0.720 1.00 0.00 N ATOM 1774 CA GLU A 107 117.760 -1.138 -1.912 1.00 0.00 C ATOM 1775 C GLU A 107 116.396 -0.499 -1.641 1.00 0.00 C ATOM 1776 O GLU A 107 115.791 -0.737 -0.611 1.00 0.00 O ATOM 1777 CB GLU A 107 117.615 -2.648 -2.105 1.00 0.00 C ATOM 1778 CG GLU A 107 118.805 -3.178 -2.908 1.00 0.00 C ATOM 1779 CD GLU A 107 118.661 -4.689 -3.107 1.00 0.00 C ATOM 1780 OE1 GLU A 107 117.569 -5.123 -3.435 1.00 0.00 O ATOM 1781 OE2 GLU A 107 119.645 -5.386 -2.928 1.00 0.00 O ATOM 0 H GLU A 107 118.334 -1.470 0.114 1.00 0.00 H new ATOM 0 HA GLU A 107 118.171 -0.657 -2.799 1.00 0.00 H new ATOM 0 HB2 GLU A 107 117.566 -3.146 -1.137 1.00 0.00 H new ATOM 0 HB3 GLU A 107 116.684 -2.871 -2.626 1.00 0.00 H new ATOM 0 HG2 GLU A 107 118.856 -2.677 -3.875 1.00 0.00 H new ATOM 0 HG3 GLU A 107 119.736 -2.957 -2.386 1.00 0.00 H new ATOM 1788 N ILE A 108 115.921 0.301 -2.568 1.00 0.00 N ATOM 1789 CA ILE A 108 114.670 1.093 -2.347 1.00 0.00 C ATOM 1790 C ILE A 108 113.599 0.654 -3.357 1.00 0.00 C ATOM 1791 O ILE A 108 113.914 0.204 -4.441 1.00 0.00 O ATOM 1792 CB ILE A 108 115.083 2.564 -2.557 1.00 0.00 C ATOM 1793 CG1 ILE A 108 116.121 2.970 -1.504 1.00 0.00 C ATOM 1794 CG2 ILE A 108 113.874 3.499 -2.425 1.00 0.00 C ATOM 1795 CD1 ILE A 108 116.802 4.273 -1.930 1.00 0.00 C ATOM 0 H ILE A 108 116.355 0.440 -3.481 1.00 0.00 H new ATOM 0 HA ILE A 108 114.242 0.947 -1.355 1.00 0.00 H new ATOM 0 HB ILE A 108 115.501 2.652 -3.560 1.00 0.00 H new ATOM 0 HG12 ILE A 108 115.639 3.100 -0.535 1.00 0.00 H new ATOM 0 HG13 ILE A 108 116.864 2.181 -1.388 1.00 0.00 H new ATOM 0 HG21 ILE A 108 114.193 4.530 -2.578 1.00 0.00 H new ATOM 0 HG22 ILE A 108 113.127 3.236 -3.174 1.00 0.00 H new ATOM 0 HG23 ILE A 108 113.442 3.396 -1.430 1.00 0.00 H new ATOM 0 HD11 ILE A 108 117.539 4.560 -1.180 1.00 0.00 H new ATOM 0 HD12 ILE A 108 117.298 4.128 -2.890 1.00 0.00 H new ATOM 0 HD13 ILE A 108 116.054 5.061 -2.024 1.00 0.00 H new ATOM 1807 N ILE A 109 112.346 0.790 -2.990 1.00 0.00 N ATOM 1808 CA ILE A 109 111.225 0.647 -3.975 1.00 0.00 C ATOM 1809 C ILE A 109 110.483 1.983 -4.103 1.00 0.00 C ATOM 1810 O ILE A 109 110.522 2.796 -3.195 1.00 0.00 O ATOM 1811 CB ILE A 109 110.299 -0.458 -3.438 1.00 0.00 C ATOM 1812 CG1 ILE A 109 109.785 -0.129 -2.026 1.00 0.00 C ATOM 1813 CG2 ILE A 109 111.057 -1.787 -3.401 1.00 0.00 C ATOM 1814 CD1 ILE A 109 108.453 -0.844 -1.783 1.00 0.00 C ATOM 0 H ILE A 109 112.049 0.997 -2.037 1.00 0.00 H new ATOM 0 HA ILE A 109 111.588 0.380 -4.967 1.00 0.00 H new ATOM 0 HB ILE A 109 109.440 -0.530 -4.105 1.00 0.00 H new ATOM 0 HG12 ILE A 109 110.517 -0.440 -1.280 1.00 0.00 H new ATOM 0 HG13 ILE A 109 109.656 0.948 -1.917 1.00 0.00 H new ATOM 0 HG21 ILE A 109 110.401 -2.570 -3.020 1.00 0.00 H new ATOM 0 HG22 ILE A 109 111.386 -2.047 -4.407 1.00 0.00 H new ATOM 0 HG23 ILE A 109 111.925 -1.693 -2.749 1.00 0.00 H new ATOM 0 HD11 ILE A 109 108.091 -0.609 -0.782 1.00 0.00 H new ATOM 0 HD12 ILE A 109 107.722 -0.512 -2.520 1.00 0.00 H new ATOM 0 HD13 ILE A 109 108.596 -1.921 -1.874 1.00 0.00 H new ATOM 1826 N ALA A 110 109.818 2.198 -5.215 1.00 0.00 N ATOM 1827 CA ALA A 110 109.132 3.503 -5.466 1.00 0.00 C ATOM 1828 C ALA A 110 107.811 3.276 -6.219 1.00 0.00 C ATOM 1829 O ALA A 110 107.617 2.205 -6.761 1.00 0.00 O ATOM 1830 CB ALA A 110 110.109 4.317 -6.316 1.00 0.00 C ATOM 0 H ALA A 110 109.722 1.515 -5.967 1.00 0.00 H new ATOM 0 HA ALA A 110 108.880 4.018 -4.539 1.00 0.00 H new ATOM 0 HB1 ALA A 110 109.673 5.290 -6.540 1.00 0.00 H new ATOM 0 HB2 ALA A 110 111.041 4.455 -5.768 1.00 0.00 H new ATOM 0 HB3 ALA A 110 110.311 3.787 -7.247 1.00 0.00 H new ATOM 1836 N PRO A 111 106.933 4.270 -6.239 1.00 0.00 N ATOM 1837 CA PRO A 111 105.645 4.150 -6.999 1.00 0.00 C ATOM 1838 C PRO A 111 105.895 3.915 -8.495 1.00 0.00 C ATOM 1839 O PRO A 111 105.121 3.242 -9.153 1.00 0.00 O ATOM 1840 CB PRO A 111 104.975 5.508 -6.772 1.00 0.00 C ATOM 1841 CG PRO A 111 105.570 5.985 -5.493 1.00 0.00 C ATOM 1842 CD PRO A 111 107.012 5.588 -5.574 1.00 0.00 C ATOM 0 HA PRO A 111 105.040 3.306 -6.667 1.00 0.00 H new ATOM 0 HB2 PRO A 111 105.180 6.198 -7.591 1.00 0.00 H new ATOM 0 HB3 PRO A 111 103.892 5.413 -6.699 1.00 0.00 H new ATOM 0 HG2 PRO A 111 105.462 7.064 -5.384 1.00 0.00 H new ATOM 0 HG3 PRO A 111 105.081 5.527 -4.633 1.00 0.00 H new ATOM 0 HD2 PRO A 111 107.599 6.302 -6.152 1.00 0.00 H new ATOM 0 HD3 PRO A 111 107.472 5.520 -4.588 1.00 0.00 H new ATOM 1850 N MET A 112 106.966 4.467 -9.020 1.00 0.00 N ATOM 1851 CA MET A 112 107.287 4.310 -10.474 1.00 0.00 C ATOM 1852 C MET A 112 108.805 4.225 -10.693 1.00 0.00 C ATOM 1853 O MET A 112 109.576 4.651 -9.851 1.00 0.00 O ATOM 1854 CB MET A 112 106.626 5.505 -11.204 1.00 0.00 C ATOM 1855 CG MET A 112 107.399 6.835 -11.093 1.00 0.00 C ATOM 1856 SD MET A 112 107.318 7.510 -9.415 1.00 0.00 S ATOM 1857 CE MET A 112 105.559 7.931 -9.423 1.00 0.00 C ATOM 0 H MET A 112 107.638 5.026 -8.495 1.00 0.00 H new ATOM 0 HA MET A 112 106.893 3.378 -10.879 1.00 0.00 H new ATOM 0 HB2 MET A 112 106.514 5.252 -12.258 1.00 0.00 H new ATOM 0 HB3 MET A 112 105.623 5.649 -10.802 1.00 0.00 H new ATOM 0 HG2 MET A 112 108.440 6.676 -11.373 1.00 0.00 H new ATOM 0 HG3 MET A 112 106.986 7.557 -11.797 1.00 0.00 H new ATOM 0 HE1 MET A 112 105.316 8.498 -8.524 1.00 0.00 H new ATOM 0 HE2 MET A 112 105.333 8.532 -10.304 1.00 0.00 H new ATOM 0 HE3 MET A 112 104.966 7.017 -9.446 1.00 0.00 H new ATOM 1867 N LYS A 113 109.223 3.680 -11.816 1.00 0.00 N ATOM 1868 CA LYS A 113 110.689 3.549 -12.117 1.00 0.00 C ATOM 1869 C LYS A 113 111.364 4.929 -12.208 1.00 0.00 C ATOM 1870 O LYS A 113 111.222 5.643 -13.187 1.00 0.00 O ATOM 1871 CB LYS A 113 110.803 2.764 -13.437 1.00 0.00 C ATOM 1872 CG LYS A 113 110.115 3.498 -14.596 1.00 0.00 C ATOM 1873 CD LYS A 113 109.812 2.505 -15.719 1.00 0.00 C ATOM 1874 CE LYS A 113 109.253 3.254 -16.929 1.00 0.00 C ATOM 1875 NZ LYS A 113 109.522 2.363 -18.092 1.00 0.00 N ATOM 0 H LYS A 113 108.605 3.318 -12.542 1.00 0.00 H new ATOM 0 HA LYS A 113 111.206 3.019 -11.317 1.00 0.00 H new ATOM 0 HB2 LYS A 113 111.855 2.608 -13.678 1.00 0.00 H new ATOM 0 HB3 LYS A 113 110.355 1.778 -13.314 1.00 0.00 H new ATOM 0 HG2 LYS A 113 109.193 3.964 -14.249 1.00 0.00 H new ATOM 0 HG3 LYS A 113 110.757 4.298 -14.966 1.00 0.00 H new ATOM 0 HD2 LYS A 113 110.719 1.968 -15.998 1.00 0.00 H new ATOM 0 HD3 LYS A 113 109.094 1.760 -15.376 1.00 0.00 H new ATOM 0 HE2 LYS A 113 108.186 3.445 -16.817 1.00 0.00 H new ATOM 0 HE3 LYS A 113 109.739 4.222 -17.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 110.208 2.819 -18.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 109.910 1.459 -17.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 108.636 2.188 -18.608 1.00 0.00 H new ATOM 1889 N LEU A 114 112.098 5.298 -11.179 1.00 0.00 N ATOM 1890 CA LEU A 114 112.753 6.652 -11.129 1.00 0.00 C ATOM 1891 C LEU A 114 113.719 6.858 -12.302 1.00 0.00 C ATOM 1892 O LEU A 114 113.873 7.966 -12.782 1.00 0.00 O ATOM 1893 CB LEU A 114 113.532 6.706 -9.810 1.00 0.00 C ATOM 1894 CG LEU A 114 112.561 6.648 -8.629 1.00 0.00 C ATOM 1895 CD1 LEU A 114 113.347 6.424 -7.336 1.00 0.00 C ATOM 1896 CD2 LEU A 114 111.792 7.968 -8.531 1.00 0.00 C ATOM 0 H LEU A 114 112.273 4.712 -10.362 1.00 0.00 H new ATOM 0 HA LEU A 114 111.998 7.436 -11.196 1.00 0.00 H new ATOM 0 HB2 LEU A 114 114.233 5.873 -9.757 1.00 0.00 H new ATOM 0 HB3 LEU A 114 114.121 7.622 -9.763 1.00 0.00 H new ATOM 0 HG LEU A 114 111.858 5.828 -8.778 1.00 0.00 H new ATOM 0 HD11 LEU A 114 112.657 6.382 -6.493 1.00 0.00 H new ATOM 0 HD12 LEU A 114 113.896 5.485 -7.402 1.00 0.00 H new ATOM 0 HD13 LEU A 114 114.049 7.245 -7.190 1.00 0.00 H new ATOM 0 HD21 LEU A 114 111.101 7.925 -7.689 1.00 0.00 H new ATOM 0 HD22 LEU A 114 112.494 8.788 -8.382 1.00 0.00 H new ATOM 0 HD23 LEU A 114 111.232 8.132 -9.452 1.00 0.00 H new ATOM 1908 N ARG A 115 114.357 5.802 -12.761 1.00 0.00 N ATOM 1909 CA ARG A 115 115.449 5.945 -13.784 1.00 0.00 C ATOM 1910 C ARG A 115 114.914 6.552 -15.084 1.00 0.00 C ATOM 1911 O ARG A 115 115.597 7.337 -15.717 1.00 0.00 O ATOM 1912 CB ARG A 115 115.990 4.539 -14.054 1.00 0.00 C ATOM 1913 CG ARG A 115 116.641 3.984 -12.787 1.00 0.00 C ATOM 1914 CD ARG A 115 117.293 2.630 -13.092 1.00 0.00 C ATOM 1915 NE ARG A 115 116.166 1.696 -13.428 1.00 0.00 N ATOM 1916 CZ ARG A 115 116.329 0.626 -14.182 1.00 0.00 C ATOM 1917 NH1 ARG A 115 117.491 0.268 -14.681 1.00 0.00 N ATOM 1918 NH2 ARG A 115 115.289 -0.120 -14.436 1.00 0.00 N ATOM 0 H ARG A 115 114.167 4.843 -12.469 1.00 0.00 H new ATOM 0 HA ARG A 115 116.228 6.611 -13.412 1.00 0.00 H new ATOM 0 HB2 ARG A 115 115.181 3.883 -14.376 1.00 0.00 H new ATOM 0 HB3 ARG A 115 116.718 4.569 -14.865 1.00 0.00 H new ATOM 0 HG2 ARG A 115 117.390 4.683 -12.415 1.00 0.00 H new ATOM 0 HG3 ARG A 115 115.893 3.870 -12.002 1.00 0.00 H new ATOM 0 HD2 ARG A 115 117.993 2.712 -13.923 1.00 0.00 H new ATOM 0 HD3 ARG A 115 117.858 2.267 -12.234 1.00 0.00 H new ATOM 0 HE ARG A 115 115.237 1.897 -13.058 1.00 0.00 H new ATOM 0 HH11 ARG A 115 118.322 0.828 -14.491 1.00 0.00 H new ATOM 0 HH12 ARG A 115 117.562 -0.570 -15.259 1.00 0.00 H new ATOM 0 HH21 ARG A 115 114.377 0.130 -14.054 1.00 0.00 H new ATOM 0 HH22 ARG A 115 115.388 -0.953 -15.016 1.00 0.00 H new ATOM 1932 N GLU A 116 113.712 6.193 -15.469 1.00 0.00 N ATOM 1933 CA GLU A 116 113.099 6.775 -16.704 1.00 0.00 C ATOM 1934 C GLU A 116 112.576 8.178 -16.390 1.00 0.00 C ATOM 1935 O GLU A 116 112.824 9.110 -17.135 1.00 0.00 O ATOM 1936 CB GLU A 116 111.953 5.843 -17.111 1.00 0.00 C ATOM 1937 CG GLU A 116 112.511 4.467 -17.489 1.00 0.00 C ATOM 1938 CD GLU A 116 113.262 4.559 -18.820 1.00 0.00 C ATOM 1939 OE1 GLU A 116 112.749 5.194 -19.727 1.00 0.00 O ATOM 1940 OE2 GLU A 116 114.339 3.993 -18.909 1.00 0.00 O ATOM 0 H GLU A 116 113.127 5.518 -14.977 1.00 0.00 H new ATOM 0 HA GLU A 116 113.821 6.860 -17.516 1.00 0.00 H new ATOM 0 HB2 GLU A 116 111.243 5.744 -16.290 1.00 0.00 H new ATOM 0 HB3 GLU A 116 111.408 6.268 -17.954 1.00 0.00 H new ATOM 0 HG2 GLU A 116 113.181 4.109 -16.707 1.00 0.00 H new ATOM 0 HG3 GLU A 116 111.699 3.744 -17.569 1.00 0.00 H new ATOM 1947 N GLN A 117 111.874 8.329 -15.288 1.00 0.00 N ATOM 1948 CA GLN A 117 111.183 9.628 -14.982 1.00 0.00 C ATOM 1949 C GLN A 117 112.198 10.770 -14.833 1.00 0.00 C ATOM 1950 O GLN A 117 111.914 11.896 -15.201 1.00 0.00 O ATOM 1951 CB GLN A 117 110.426 9.419 -13.665 1.00 0.00 C ATOM 1952 CG GLN A 117 109.329 8.369 -13.861 1.00 0.00 C ATOM 1953 CD GLN A 117 108.199 8.957 -14.711 1.00 0.00 C ATOM 1954 OE1 GLN A 117 107.733 10.048 -14.450 1.00 0.00 O ATOM 1955 NE2 GLN A 117 107.738 8.274 -15.723 1.00 0.00 N ATOM 0 H GLN A 117 111.749 7.603 -14.582 1.00 0.00 H new ATOM 0 HA GLN A 117 110.508 9.904 -15.792 1.00 0.00 H new ATOM 0 HB2 GLN A 117 111.116 9.097 -12.885 1.00 0.00 H new ATOM 0 HB3 GLN A 117 109.987 10.360 -13.333 1.00 0.00 H new ATOM 0 HG2 GLN A 117 109.741 7.485 -14.348 1.00 0.00 H new ATOM 0 HG3 GLN A 117 108.941 8.049 -12.894 1.00 0.00 H new ATOM 0 HE21 GLN A 117 108.130 7.358 -15.941 1.00 0.00 H new ATOM 0 HE22 GLN A 117 106.986 8.656 -16.296 1.00 0.00 H new ATOM 1964 N PHE A 118 113.363 10.479 -14.300 1.00 0.00 N ATOM 1965 CA PHE A 118 114.395 11.540 -14.075 1.00 0.00 C ATOM 1966 C PHE A 118 115.581 11.424 -15.048 1.00 0.00 C ATOM 1967 O PHE A 118 116.561 12.128 -14.886 1.00 0.00 O ATOM 1968 CB PHE A 118 114.868 11.318 -12.638 1.00 0.00 C ATOM 1969 CG PHE A 118 113.828 11.669 -11.601 1.00 0.00 C ATOM 1970 CD1 PHE A 118 112.895 10.680 -11.160 1.00 0.00 C ATOM 1971 CD2 PHE A 118 113.778 12.990 -11.058 1.00 0.00 C ATOM 1972 CE1 PHE A 118 111.912 11.013 -10.177 1.00 0.00 C ATOM 1973 CE2 PHE A 118 112.795 13.323 -10.076 1.00 0.00 C ATOM 1974 CZ PHE A 118 111.862 12.335 -9.636 1.00 0.00 C ATOM 0 H PHE A 118 113.644 9.543 -14.009 1.00 0.00 H new ATOM 0 HA PHE A 118 113.977 12.533 -14.243 1.00 0.00 H new ATOM 0 HB2 PHE A 118 115.154 10.273 -12.515 1.00 0.00 H new ATOM 0 HB3 PHE A 118 115.762 11.916 -12.462 1.00 0.00 H new ATOM 0 HD1 PHE A 118 112.933 9.681 -11.569 1.00 0.00 H new ATOM 0 HD2 PHE A 118 114.484 13.737 -11.390 1.00 0.00 H new ATOM 0 HE1 PHE A 118 111.207 10.266 -9.843 1.00 0.00 H new ATOM 0 HE2 PHE A 118 112.757 14.322 -9.666 1.00 0.00 H new ATOM 0 HZ PHE A 118 111.119 12.587 -8.894 1.00 0.00 H new ATOM 1984 N ASN A 119 115.515 10.562 -16.050 1.00 0.00 N ATOM 1985 CA ASN A 119 116.653 10.369 -17.020 1.00 0.00 C ATOM 1986 C ASN A 119 117.989 10.105 -16.296 1.00 0.00 C ATOM 1987 O ASN A 119 118.994 10.741 -16.573 1.00 0.00 O ATOM 1988 CB ASN A 119 116.711 11.658 -17.854 1.00 0.00 C ATOM 1989 CG ASN A 119 115.443 11.778 -18.702 1.00 0.00 C ATOM 1990 OD1 ASN A 119 114.762 12.784 -18.660 1.00 0.00 O ATOM 1991 ND2 ASN A 119 115.095 10.788 -19.478 1.00 0.00 N ATOM 0 H ASN A 119 114.703 9.974 -16.237 1.00 0.00 H new ATOM 0 HA ASN A 119 116.489 9.493 -17.647 1.00 0.00 H new ATOM 0 HB2 ASN A 119 116.805 12.524 -17.198 1.00 0.00 H new ATOM 0 HB3 ASN A 119 117.591 11.648 -18.497 1.00 0.00 H new ATOM 0 HD21 ASN A 119 114.252 10.859 -20.048 1.00 0.00 H new ATOM 0 HD22 ASN A 119 115.666 9.943 -19.514 1.00 0.00 H new ATOM 1998 N LEU A 120 117.995 9.164 -15.378 1.00 0.00 N ATOM 1999 CA LEU A 120 119.184 8.957 -14.491 1.00 0.00 C ATOM 2000 C LEU A 120 120.159 7.952 -15.113 1.00 0.00 C ATOM 2001 O LEU A 120 119.747 6.944 -15.658 1.00 0.00 O ATOM 2002 CB LEU A 120 118.635 8.406 -13.173 1.00 0.00 C ATOM 2003 CG LEU A 120 117.788 9.473 -12.477 1.00 0.00 C ATOM 2004 CD1 LEU A 120 116.910 8.810 -11.414 1.00 0.00 C ATOM 2005 CD2 LEU A 120 118.708 10.498 -11.807 1.00 0.00 C ATOM 0 H LEU A 120 117.218 8.526 -15.205 1.00 0.00 H new ATOM 0 HA LEU A 120 119.732 9.888 -14.346 1.00 0.00 H new ATOM 0 HB2 LEU A 120 118.033 7.517 -13.363 1.00 0.00 H new ATOM 0 HB3 LEU A 120 119.457 8.102 -12.525 1.00 0.00 H new ATOM 0 HG LEU A 120 117.158 9.974 -13.212 1.00 0.00 H new ATOM 0 HD11 LEU A 120 116.305 9.568 -10.917 1.00 0.00 H new ATOM 0 HD12 LEU A 120 116.256 8.078 -11.887 1.00 0.00 H new ATOM 0 HD13 LEU A 120 117.542 8.311 -10.680 1.00 0.00 H new ATOM 0 HD21 LEU A 120 118.105 11.259 -11.311 1.00 0.00 H new ATOM 0 HD22 LEU A 120 119.337 9.996 -11.071 1.00 0.00 H new ATOM 0 HD23 LEU A 120 119.338 10.969 -12.561 1.00 0.00 H new ATOM 2017 N LYS A 121 121.438 8.236 -15.028 1.00 0.00 N ATOM 2018 CA LYS A 121 122.481 7.277 -15.503 1.00 0.00 C ATOM 2019 C LYS A 121 123.351 6.834 -14.324 1.00 0.00 C ATOM 2020 O LYS A 121 123.467 7.543 -13.340 1.00 0.00 O ATOM 2021 CB LYS A 121 123.314 8.060 -16.519 1.00 0.00 C ATOM 2022 CG LYS A 121 122.465 8.370 -17.754 1.00 0.00 C ATOM 2023 CD LYS A 121 123.355 8.938 -18.861 1.00 0.00 C ATOM 2024 CE LYS A 121 123.781 10.363 -18.498 1.00 0.00 C ATOM 2025 NZ LYS A 121 124.294 10.946 -19.769 1.00 0.00 N ATOM 0 H LYS A 121 121.806 9.106 -14.643 1.00 0.00 H new ATOM 0 HA LYS A 121 122.049 6.378 -15.944 1.00 0.00 H new ATOM 0 HB2 LYS A 121 123.674 8.986 -16.072 1.00 0.00 H new ATOM 0 HB3 LYS A 121 124.193 7.482 -16.806 1.00 0.00 H new ATOM 0 HG2 LYS A 121 121.968 7.465 -18.102 1.00 0.00 H new ATOM 0 HG3 LYS A 121 121.683 9.085 -17.500 1.00 0.00 H new ATOM 0 HD2 LYS A 121 124.234 8.308 -18.994 1.00 0.00 H new ATOM 0 HD3 LYS A 121 122.817 8.939 -19.809 1.00 0.00 H new ATOM 0 HE2 LYS A 121 122.941 10.939 -18.110 1.00 0.00 H new ATOM 0 HE3 LYS A 121 124.550 10.361 -17.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 124.606 11.924 -19.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 125.097 10.380 -20.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 123.538 10.941 -20.483 1.00 0.00 H new ATOM 2039 N ASP A 122 123.964 5.673 -14.420 1.00 0.00 N ATOM 2040 CA ASP A 122 124.810 5.135 -13.294 1.00 0.00 C ATOM 2041 C ASP A 122 125.915 6.127 -12.897 1.00 0.00 C ATOM 2042 O ASP A 122 126.543 6.726 -13.751 1.00 0.00 O ATOM 2043 CB ASP A 122 125.445 3.840 -13.819 1.00 0.00 C ATOM 2044 CG ASP A 122 124.353 2.800 -14.080 1.00 0.00 C ATOM 2045 OD1 ASP A 122 123.478 2.661 -13.239 1.00 0.00 O ATOM 2046 OD2 ASP A 122 124.409 2.158 -15.116 1.00 0.00 O ATOM 0 H ASP A 122 123.915 5.067 -15.239 1.00 0.00 H new ATOM 0 HA ASP A 122 124.200 4.966 -12.407 1.00 0.00 H new ATOM 0 HB2 ASP A 122 125.997 4.040 -14.737 1.00 0.00 H new ATOM 0 HB3 ASP A 122 126.162 3.455 -13.094 1.00 0.00 H new ATOM 2051 N GLY A 123 126.140 6.288 -11.613 1.00 0.00 N ATOM 2052 CA GLY A 123 127.164 7.262 -11.123 1.00 0.00 C ATOM 2053 C GLY A 123 126.509 8.562 -10.638 1.00 0.00 C ATOM 2054 O GLY A 123 127.099 9.274 -9.845 1.00 0.00 O ATOM 0 H GLY A 123 125.651 5.779 -10.877 1.00 0.00 H new ATOM 0 HA2 GLY A 123 127.735 6.814 -10.310 1.00 0.00 H new ATOM 0 HA3 GLY A 123 127.870 7.484 -11.923 1.00 0.00 H new ATOM 2058 N ASP A 124 125.312 8.878 -11.098 1.00 0.00 N ATOM 2059 CA ASP A 124 124.631 10.148 -10.667 1.00 0.00 C ATOM 2060 C ASP A 124 124.313 10.091 -9.169 1.00 0.00 C ATOM 2061 O ASP A 124 124.169 9.018 -8.613 1.00 0.00 O ATOM 2062 CB ASP A 124 123.339 10.258 -11.485 1.00 0.00 C ATOM 2063 CG ASP A 124 123.623 10.945 -12.825 1.00 0.00 C ATOM 2064 OD1 ASP A 124 124.383 11.900 -12.837 1.00 0.00 O ATOM 2065 OD2 ASP A 124 123.068 10.503 -13.818 1.00 0.00 O ATOM 0 H ASP A 124 124.779 8.308 -11.755 1.00 0.00 H new ATOM 0 HA ASP A 124 125.270 11.015 -10.835 1.00 0.00 H new ATOM 0 HB2 ASP A 124 122.922 9.266 -11.657 1.00 0.00 H new ATOM 0 HB3 ASP A 124 122.593 10.825 -10.927 1.00 0.00 H new ATOM 2070 N VAL A 125 124.205 11.233 -8.530 1.00 0.00 N ATOM 2071 CA VAL A 125 124.014 11.271 -7.043 1.00 0.00 C ATOM 2072 C VAL A 125 122.608 11.793 -6.723 1.00 0.00 C ATOM 2073 O VAL A 125 122.165 12.779 -7.284 1.00 0.00 O ATOM 2074 CB VAL A 125 125.103 12.217 -6.499 1.00 0.00 C ATOM 2075 CG1 VAL A 125 125.022 12.302 -4.969 1.00 0.00 C ATOM 2076 CG2 VAL A 125 126.498 11.697 -6.872 1.00 0.00 C ATOM 0 H VAL A 125 124.241 12.148 -8.979 1.00 0.00 H new ATOM 0 HA VAL A 125 124.102 10.285 -6.587 1.00 0.00 H new ATOM 0 HB VAL A 125 124.939 13.201 -6.939 1.00 0.00 H new ATOM 0 HG11 VAL A 125 125.797 12.974 -4.600 1.00 0.00 H new ATOM 0 HG12 VAL A 125 124.043 12.683 -4.677 1.00 0.00 H new ATOM 0 HG13 VAL A 125 125.168 11.310 -4.541 1.00 0.00 H new ATOM 0 HG21 VAL A 125 127.256 12.376 -6.481 1.00 0.00 H new ATOM 0 HG22 VAL A 125 126.643 10.705 -6.444 1.00 0.00 H new ATOM 0 HG23 VAL A 125 126.587 11.640 -7.957 1.00 0.00 H new ATOM 2086 N ILE A 126 121.919 11.127 -5.824 1.00 0.00 N ATOM 2087 CA ILE A 126 120.587 11.612 -5.340 1.00 0.00 C ATOM 2088 C ILE A 126 120.580 11.645 -3.808 1.00 0.00 C ATOM 2089 O ILE A 126 121.398 10.998 -3.176 1.00 0.00 O ATOM 2090 CB ILE A 126 119.535 10.628 -5.885 1.00 0.00 C ATOM 2091 CG1 ILE A 126 119.825 9.188 -5.438 1.00 0.00 C ATOM 2092 CG2 ILE A 126 119.526 10.684 -7.415 1.00 0.00 C ATOM 2093 CD1 ILE A 126 118.597 8.312 -5.695 1.00 0.00 C ATOM 0 H ILE A 126 122.230 10.253 -5.399 1.00 0.00 H new ATOM 0 HA ILE A 126 120.371 12.623 -5.687 1.00 0.00 H new ATOM 0 HB ILE A 126 118.564 10.922 -5.488 1.00 0.00 H new ATOM 0 HG12 ILE A 126 120.685 8.795 -5.981 1.00 0.00 H new ATOM 0 HG13 ILE A 126 120.081 9.170 -4.379 1.00 0.00 H new ATOM 0 HG21 ILE A 126 118.781 9.987 -7.800 1.00 0.00 H new ATOM 0 HG22 ILE A 126 119.280 11.695 -7.741 1.00 0.00 H new ATOM 0 HG23 ILE A 126 120.510 10.410 -7.795 1.00 0.00 H new ATOM 0 HD11 ILE A 126 118.806 7.291 -5.377 1.00 0.00 H new ATOM 0 HD12 ILE A 126 117.748 8.701 -5.132 1.00 0.00 H new ATOM 0 HD13 ILE A 126 118.361 8.319 -6.759 1.00 0.00 H new ATOM 2105 N LYS A 127 119.668 12.386 -3.223 1.00 0.00 N ATOM 2106 CA LYS A 127 119.647 12.553 -1.737 1.00 0.00 C ATOM 2107 C LYS A 127 118.443 11.825 -1.139 1.00 0.00 C ATOM 2108 O LYS A 127 117.355 11.880 -1.684 1.00 0.00 O ATOM 2109 CB LYS A 127 119.529 14.061 -1.509 1.00 0.00 C ATOM 2110 CG LYS A 127 120.818 14.751 -1.959 1.00 0.00 C ATOM 2111 CD LYS A 127 120.741 16.243 -1.627 1.00 0.00 C ATOM 2112 CE LYS A 127 121.986 16.951 -2.167 1.00 0.00 C ATOM 2113 NZ LYS A 127 121.701 17.181 -3.612 1.00 0.00 N ATOM 0 H LYS A 127 118.930 12.887 -3.719 1.00 0.00 H new ATOM 0 HA LYS A 127 120.536 12.137 -1.263 1.00 0.00 H new ATOM 0 HB2 LYS A 127 118.679 14.458 -2.065 1.00 0.00 H new ATOM 0 HB3 LYS A 127 119.344 14.266 -0.455 1.00 0.00 H new ATOM 0 HG2 LYS A 127 121.677 14.301 -1.461 1.00 0.00 H new ATOM 0 HG3 LYS A 127 120.962 14.613 -3.031 1.00 0.00 H new ATOM 0 HD2 LYS A 127 119.843 16.678 -2.066 1.00 0.00 H new ATOM 0 HD3 LYS A 127 120.669 16.383 -0.548 1.00 0.00 H new ATOM 0 HE2 LYS A 127 122.163 17.891 -1.645 1.00 0.00 H new ATOM 0 HE3 LYS A 127 122.878 16.339 -2.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 122.536 16.924 -4.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 120.892 16.596 -3.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 121.475 18.184 -3.766 1.00 0.00 H new ATOM 2127 N ILE A 128 118.636 11.149 -0.030 1.00 0.00 N ATOM 2128 CA ILE A 128 117.499 10.482 0.681 1.00 0.00 C ATOM 2129 C ILE A 128 117.243 11.178 2.023 1.00 0.00 C ATOM 2130 O ILE A 128 118.171 11.513 2.739 1.00 0.00 O ATOM 2131 CB ILE A 128 117.898 9.007 0.872 1.00 0.00 C ATOM 2132 CG1 ILE A 128 119.224 8.873 1.638 1.00 0.00 C ATOM 2133 CG2 ILE A 128 118.041 8.341 -0.499 1.00 0.00 C ATOM 2134 CD1 ILE A 128 119.422 7.419 2.075 1.00 0.00 C ATOM 0 H ILE A 128 119.545 11.030 0.417 1.00 0.00 H new ATOM 0 HA ILE A 128 116.573 10.546 0.110 1.00 0.00 H new ATOM 0 HB ILE A 128 117.117 8.519 1.456 1.00 0.00 H new ATOM 0 HG12 ILE A 128 120.054 9.189 1.006 1.00 0.00 H new ATOM 0 HG13 ILE A 128 119.220 9.528 2.510 1.00 0.00 H new ATOM 0 HG21 ILE A 128 118.323 7.296 -0.368 1.00 0.00 H new ATOM 0 HG22 ILE A 128 117.091 8.396 -1.031 1.00 0.00 H new ATOM 0 HG23 ILE A 128 118.810 8.856 -1.075 1.00 0.00 H new ATOM 0 HD11 ILE A 128 120.363 7.327 2.618 1.00 0.00 H new ATOM 0 HD12 ILE A 128 118.599 7.118 2.723 1.00 0.00 H new ATOM 0 HD13 ILE A 128 119.446 6.775 1.196 1.00 0.00 H new ATOM 2146 N LEU A 129 115.989 11.395 2.349 1.00 0.00 N ATOM 2147 CA LEU A 129 115.624 12.109 3.610 1.00 0.00 C ATOM 2148 C LEU A 129 114.974 11.134 4.595 1.00 0.00 C ATOM 2149 O LEU A 129 114.018 10.459 4.258 1.00 0.00 O ATOM 2150 CB LEU A 129 114.628 13.188 3.177 1.00 0.00 C ATOM 2151 CG LEU A 129 114.329 14.130 4.352 1.00 0.00 C ATOM 2152 CD1 LEU A 129 113.921 15.506 3.817 1.00 0.00 C ATOM 2153 CD2 LEU A 129 113.187 13.557 5.198 1.00 0.00 C ATOM 0 H LEU A 129 115.193 11.101 1.783 1.00 0.00 H new ATOM 0 HA LEU A 129 116.491 12.537 4.114 1.00 0.00 H new ATOM 0 HB2 LEU A 129 115.035 13.755 2.340 1.00 0.00 H new ATOM 0 HB3 LEU A 129 113.705 12.724 2.829 1.00 0.00 H new ATOM 0 HG LEU A 129 115.223 14.228 4.968 1.00 0.00 H new ATOM 0 HD11 LEU A 129 113.709 16.173 4.653 1.00 0.00 H new ATOM 0 HD12 LEU A 129 114.733 15.920 3.219 1.00 0.00 H new ATOM 0 HD13 LEU A 129 113.030 15.406 3.198 1.00 0.00 H new ATOM 0 HD21 LEU A 129 112.978 14.229 6.031 1.00 0.00 H new ATOM 0 HD22 LEU A 129 112.294 13.455 4.582 1.00 0.00 H new ATOM 0 HD23 LEU A 129 113.475 12.579 5.584 1.00 0.00 H new