USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=20 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= -0.0705 K(o=0.042,f=-1.8!) USER MOD Set 1.2: A 59 TYR OH : rot -43:sc= 0.202 USER MOD Set 1.3: A 76 LYS NZ :NH3+ -141:sc= -0.0895 (180deg=-0.0787) USER MOD Set 2.1: A 43 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 45 ASN : amide:sc= -1.75 K(o=-1.7,f=-2.6) USER MOD Single : A 13 SER OG : rot 22:sc= 0.259! USER MOD Single : A 32 LYS NZ :NH3+ 176:sc= 0.951 (180deg=0.942) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.0782) USER MOD Single : A 58 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.0523) USER MOD Single : A 62 THR OG1 : rot -80:sc= -1.44 USER MOD Single : A 68 ASN : amide:sc= -2.95 K(o=-2.9,f=-7.9!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -157:sc= 1.15 (180deg=0.397) USER MOD Single : A 86 ASN : amide:sc=-0.00984 X(o=-0.0098,f=-0.36) USER MOD Single : A 87 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00841) USER MOD Single : A 88 LYS NZ :NH3+ -121:sc= 0 (180deg=-0.161) USER MOD Single : A 97 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0111) USER MOD Single : A 98 LYS NZ :NH3+ -108:sc= 1.01 (180deg=-0.0116) 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 HD1:sc= 0.0148 K(o=0.015,f=-1) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl -170:sc= -1.76 (180deg=-2.03) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 GLN : amide:sc= -0.0472 X(o=-0.047,f=-0.41) USER MOD Single : A 119 ASN : amide:sc= -0.0433 X(o=-0.043,f=0) USER MOD Single : A 121 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.0553) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 94 N ILE A 6 120.124 13.669 6.633 1.00 0.00 N ATOM 95 CA ILE A 6 120.226 13.484 5.149 1.00 0.00 C ATOM 96 C ILE A 6 121.455 12.624 4.826 1.00 0.00 C ATOM 97 O ILE A 6 122.520 12.832 5.381 1.00 0.00 O ATOM 98 CB ILE A 6 120.367 14.903 4.555 1.00 0.00 C ATOM 99 CG1 ILE A 6 119.191 15.813 4.968 1.00 0.00 C ATOM 100 CG2 ILE A 6 120.446 14.840 3.022 1.00 0.00 C ATOM 101 CD1 ILE A 6 117.836 15.247 4.512 1.00 0.00 C ATOM 0 HA ILE A 6 119.356 12.976 4.732 1.00 0.00 H new ATOM 0 HB ILE A 6 121.289 15.328 4.952 1.00 0.00 H new ATOM 0 HG12 ILE A 6 119.188 15.932 6.051 1.00 0.00 H new ATOM 0 HG13 ILE A 6 119.332 16.805 4.539 1.00 0.00 H new ATOM 0 HG21 ILE A 6 120.545 15.849 2.621 1.00 0.00 H new ATOM 0 HG22 ILE A 6 121.310 14.245 2.726 1.00 0.00 H new ATOM 0 HG23 ILE A 6 119.539 14.381 2.629 1.00 0.00 H new ATOM 0 HD11 ILE A 6 117.037 15.920 4.824 1.00 0.00 H new ATOM 0 HD12 ILE A 6 117.828 15.153 3.426 1.00 0.00 H new ATOM 0 HD13 ILE A 6 117.681 14.266 4.962 1.00 0.00 H new ATOM 113 N ILE A 7 121.300 11.669 3.938 1.00 0.00 N ATOM 114 CA ILE A 7 122.463 10.851 3.464 1.00 0.00 C ATOM 115 C ILE A 7 122.483 10.868 1.930 1.00 0.00 C ATOM 116 O ILE A 7 121.443 10.937 1.301 1.00 0.00 O ATOM 117 CB ILE A 7 122.240 9.423 4.003 1.00 0.00 C ATOM 118 CG1 ILE A 7 122.140 9.434 5.536 1.00 0.00 C ATOM 119 CG2 ILE A 7 123.417 8.521 3.608 1.00 0.00 C ATOM 120 CD1 ILE A 7 121.579 8.096 6.024 1.00 0.00 C ATOM 0 H ILE A 7 120.405 11.419 3.517 1.00 0.00 H new ATOM 0 HA ILE A 7 123.419 11.239 3.816 1.00 0.00 H new ATOM 0 HB ILE A 7 121.312 9.045 3.574 1.00 0.00 H new ATOM 0 HG12 ILE A 7 123.123 9.609 5.973 1.00 0.00 H new ATOM 0 HG13 ILE A 7 121.496 10.251 5.863 1.00 0.00 H new ATOM 0 HG21 ILE A 7 123.250 7.515 3.993 1.00 0.00 H new ATOM 0 HG22 ILE A 7 123.499 8.485 2.522 1.00 0.00 H new ATOM 0 HG23 ILE A 7 124.340 8.922 4.028 1.00 0.00 H new ATOM 0 HD11 ILE A 7 121.509 8.106 7.112 1.00 0.00 H new ATOM 0 HD12 ILE A 7 120.588 7.940 5.598 1.00 0.00 H new ATOM 0 HD13 ILE A 7 122.240 7.288 5.710 1.00 0.00 H new ATOM 132 N GLU A 8 123.656 10.810 1.341 1.00 0.00 N ATOM 133 CA GLU A 8 123.775 10.815 -0.151 1.00 0.00 C ATOM 134 C GLU A 8 124.138 9.417 -0.659 1.00 0.00 C ATOM 135 O GLU A 8 124.962 8.740 -0.071 1.00 0.00 O ATOM 136 CB GLU A 8 124.901 11.805 -0.458 1.00 0.00 C ATOM 137 CG GLU A 8 124.453 13.222 -0.092 1.00 0.00 C ATOM 138 CD GLU A 8 125.532 14.228 -0.505 1.00 0.00 C ATOM 139 OE1 GLU A 8 126.696 13.953 -0.268 1.00 0.00 O ATOM 140 OE2 GLU A 8 125.173 15.258 -1.050 1.00 0.00 O ATOM 0 H GLU A 8 124.545 10.759 1.838 1.00 0.00 H new ATOM 0 HA GLU A 8 122.841 11.097 -0.637 1.00 0.00 H new ATOM 0 HB2 GLU A 8 125.796 11.539 0.104 1.00 0.00 H new ATOM 0 HB3 GLU A 8 125.163 11.757 -1.515 1.00 0.00 H new ATOM 0 HG2 GLU A 8 123.513 13.457 -0.591 1.00 0.00 H new ATOM 0 HG3 GLU A 8 124.270 13.290 0.980 1.00 0.00 H new ATOM 147 N GLY A 9 123.526 8.993 -1.744 1.00 0.00 N ATOM 148 CA GLY A 9 123.831 7.654 -2.336 1.00 0.00 C ATOM 149 C GLY A 9 123.999 7.790 -3.851 1.00 0.00 C ATOM 150 O GLY A 9 123.378 8.638 -4.467 1.00 0.00 O ATOM 0 H GLY A 9 122.819 9.528 -2.248 1.00 0.00 H new ATOM 0 HA2 GLY A 9 124.741 7.248 -1.894 1.00 0.00 H new ATOM 0 HA3 GLY A 9 123.027 6.953 -2.110 1.00 0.00 H new ATOM 154 N GLU A 10 124.830 6.960 -4.441 1.00 0.00 N ATOM 155 CA GLU A 10 125.070 7.023 -5.916 1.00 0.00 C ATOM 156 C GLU A 10 124.385 5.844 -6.615 1.00 0.00 C ATOM 157 O GLU A 10 124.366 4.744 -6.095 1.00 0.00 O ATOM 158 CB GLU A 10 126.588 6.936 -6.086 1.00 0.00 C ATOM 159 CG GLU A 10 126.958 7.253 -7.536 1.00 0.00 C ATOM 160 CD GLU A 10 128.459 7.039 -7.742 1.00 0.00 C ATOM 161 OE1 GLU A 10 128.964 6.028 -7.283 1.00 0.00 O ATOM 162 OE2 GLU A 10 129.079 7.892 -8.357 1.00 0.00 O ATOM 0 H GLU A 10 125.357 6.234 -3.955 1.00 0.00 H new ATOM 0 HA GLU A 10 124.666 7.935 -6.356 1.00 0.00 H new ATOM 0 HB2 GLU A 10 127.081 7.637 -5.412 1.00 0.00 H new ATOM 0 HB3 GLU A 10 126.938 5.939 -5.820 1.00 0.00 H new ATOM 0 HG2 GLU A 10 126.393 6.613 -8.214 1.00 0.00 H new ATOM 0 HG3 GLU A 10 126.691 8.283 -7.773 1.00 0.00 H new ATOM 169 N VAL A 11 123.831 6.079 -7.786 1.00 0.00 N ATOM 170 CA VAL A 11 123.144 4.990 -8.566 1.00 0.00 C ATOM 171 C VAL A 11 124.159 3.903 -8.947 1.00 0.00 C ATOM 172 O VAL A 11 125.149 4.189 -9.595 1.00 0.00 O ATOM 173 CB VAL A 11 122.568 5.648 -9.841 1.00 0.00 C ATOM 174 CG1 VAL A 11 121.758 4.624 -10.647 1.00 0.00 C ATOM 175 CG2 VAL A 11 121.646 6.820 -9.479 1.00 0.00 C ATOM 0 H VAL A 11 123.825 6.992 -8.241 1.00 0.00 H new ATOM 0 HA VAL A 11 122.354 4.523 -7.978 1.00 0.00 H new ATOM 0 HB VAL A 11 123.406 6.013 -10.434 1.00 0.00 H new ATOM 0 HG11 VAL A 11 121.358 5.100 -11.542 1.00 0.00 H new ATOM 0 HG12 VAL A 11 122.404 3.795 -10.935 1.00 0.00 H new ATOM 0 HG13 VAL A 11 120.936 4.249 -10.037 1.00 0.00 H new ATOM 0 HG21 VAL A 11 121.252 7.268 -10.391 1.00 0.00 H new ATOM 0 HG22 VAL A 11 120.820 6.458 -8.867 1.00 0.00 H new ATOM 0 HG23 VAL A 11 122.210 7.568 -8.922 1.00 0.00 H new ATOM 185 N VAL A 12 123.909 2.678 -8.548 1.00 0.00 N ATOM 186 CA VAL A 12 124.797 1.535 -8.937 1.00 0.00 C ATOM 187 C VAL A 12 123.973 0.434 -9.614 1.00 0.00 C ATOM 188 O VAL A 12 122.798 0.281 -9.330 1.00 0.00 O ATOM 189 CB VAL A 12 125.449 1.023 -7.639 1.00 0.00 C ATOM 190 CG1 VAL A 12 126.333 2.121 -7.041 1.00 0.00 C ATOM 191 CG2 VAL A 12 124.392 0.613 -6.603 1.00 0.00 C ATOM 0 H VAL A 12 123.116 2.418 -7.961 1.00 0.00 H new ATOM 0 HA VAL A 12 125.560 1.846 -9.650 1.00 0.00 H new ATOM 0 HB VAL A 12 126.047 0.147 -7.888 1.00 0.00 H new ATOM 0 HG11 VAL A 12 126.794 1.757 -6.123 1.00 0.00 H new ATOM 0 HG12 VAL A 12 127.111 2.391 -7.755 1.00 0.00 H new ATOM 0 HG13 VAL A 12 125.724 2.998 -6.819 1.00 0.00 H new ATOM 0 HG21 VAL A 12 124.887 0.257 -5.700 1.00 0.00 H new ATOM 0 HG22 VAL A 12 123.768 1.473 -6.360 1.00 0.00 H new ATOM 0 HG23 VAL A 12 123.770 -0.182 -7.013 1.00 0.00 H new ATOM 201 N SER A 13 124.587 -0.321 -10.497 1.00 0.00 N ATOM 202 CA SER A 13 123.855 -1.402 -11.233 1.00 0.00 C ATOM 203 C SER A 13 123.856 -2.696 -10.415 1.00 0.00 C ATOM 204 O SER A 13 124.877 -3.086 -9.875 1.00 0.00 O ATOM 205 CB SER A 13 124.614 -1.598 -12.547 1.00 0.00 C ATOM 206 OG SER A 13 125.896 -2.146 -12.271 1.00 0.00 O ATOM 0 H SER A 13 125.574 -0.233 -10.741 1.00 0.00 H new ATOM 0 HA SER A 13 122.813 -1.135 -11.409 1.00 0.00 H new ATOM 0 HB2 SER A 13 124.056 -2.262 -13.207 1.00 0.00 H new ATOM 0 HB3 SER A 13 124.717 -0.645 -13.067 1.00 0.00 H new ATOM 0 HG SER A 13 125.883 -2.583 -11.394 1.00 0.00 H new ATOM 486 N PHE A 31 103.386 -4.786 0.815 1.00 0.00 N ATOM 487 CA PHE A 31 103.942 -3.420 0.535 1.00 0.00 C ATOM 488 C PHE A 31 102.842 -2.359 0.663 1.00 0.00 C ATOM 489 O PHE A 31 103.056 -1.321 1.261 1.00 0.00 O ATOM 490 CB PHE A 31 104.493 -3.463 -0.899 1.00 0.00 C ATOM 491 CG PHE A 31 105.942 -3.891 -0.985 1.00 0.00 C ATOM 492 CD1 PHE A 31 106.924 -3.295 -0.132 1.00 0.00 C ATOM 493 CD2 PHE A 31 106.333 -4.892 -1.929 1.00 0.00 C ATOM 494 CE1 PHE A 31 108.291 -3.701 -0.220 1.00 0.00 C ATOM 495 CE2 PHE A 31 107.700 -5.298 -2.017 1.00 0.00 C ATOM 496 CZ PHE A 31 108.679 -4.704 -1.163 1.00 0.00 C ATOM 0 HA PHE A 31 104.724 -3.156 1.247 1.00 0.00 H new ATOM 0 HB2 PHE A 31 103.886 -4.148 -1.491 1.00 0.00 H new ATOM 0 HB3 PHE A 31 104.389 -2.475 -1.348 1.00 0.00 H new ATOM 0 HD1 PHE A 31 106.631 -2.537 0.580 1.00 0.00 H new ATOM 0 HD2 PHE A 31 105.594 -5.341 -2.576 1.00 0.00 H new ATOM 0 HE1 PHE A 31 109.031 -3.251 0.425 1.00 0.00 H new ATOM 0 HE2 PHE A 31 107.993 -6.055 -2.730 1.00 0.00 H new ATOM 0 HZ PHE A 31 109.712 -5.012 -1.229 1.00 0.00 H new ATOM 506 N LYS A 32 101.679 -2.622 0.109 1.00 0.00 N ATOM 507 CA LYS A 32 100.543 -1.642 0.194 1.00 0.00 C ATOM 508 C LYS A 32 100.074 -1.478 1.642 1.00 0.00 C ATOM 509 O LYS A 32 99.624 -0.413 2.025 1.00 0.00 O ATOM 510 CB LYS A 32 99.414 -2.211 -0.672 1.00 0.00 C ATOM 511 CG LYS A 32 98.328 -1.149 -0.862 1.00 0.00 C ATOM 512 CD LYS A 32 97.187 -1.730 -1.700 1.00 0.00 C ATOM 513 CE LYS A 32 96.168 -0.631 -2.009 1.00 0.00 C ATOM 514 NZ LYS A 32 95.480 -1.083 -3.249 1.00 0.00 N ATOM 0 H LYS A 32 101.466 -3.479 -0.402 1.00 0.00 H new ATOM 0 HA LYS A 32 100.852 -0.657 -0.155 1.00 0.00 H new ATOM 0 HB2 LYS A 32 99.806 -2.522 -1.640 1.00 0.00 H new ATOM 0 HB3 LYS A 32 98.991 -3.098 -0.200 1.00 0.00 H new ATOM 0 HG2 LYS A 32 97.951 -0.821 0.107 1.00 0.00 H new ATOM 0 HG3 LYS A 32 98.745 -0.271 -1.355 1.00 0.00 H new ATOM 0 HD2 LYS A 32 97.579 -2.148 -2.627 1.00 0.00 H new ATOM 0 HD3 LYS A 32 96.705 -2.546 -1.161 1.00 0.00 H new ATOM 0 HE2 LYS A 32 95.461 -0.506 -1.189 1.00 0.00 H new ATOM 0 HE3 LYS A 32 96.658 0.331 -2.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 94.719 -0.415 -3.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 96.164 -1.122 -4.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 95.075 -2.029 -3.096 1.00 0.00 H new ATOM 528 N LYS A 33 100.173 -2.522 2.433 1.00 0.00 N ATOM 529 CA LYS A 33 99.781 -2.427 3.879 1.00 0.00 C ATOM 530 C LYS A 33 100.763 -1.535 4.646 1.00 0.00 C ATOM 531 O LYS A 33 100.353 -0.758 5.490 1.00 0.00 O ATOM 532 CB LYS A 33 99.810 -3.857 4.431 1.00 0.00 C ATOM 533 CG LYS A 33 99.170 -3.883 5.820 1.00 0.00 C ATOM 534 CD LYS A 33 99.111 -5.325 6.331 1.00 0.00 C ATOM 535 CE LYS A 33 100.519 -5.792 6.711 1.00 0.00 C ATOM 536 NZ LYS A 33 100.307 -6.858 7.730 1.00 0.00 N ATOM 0 H LYS A 33 100.509 -3.439 2.139 1.00 0.00 H new ATOM 0 HA LYS A 33 98.792 -1.982 3.989 1.00 0.00 H new ATOM 0 HB2 LYS A 33 99.274 -4.528 3.760 1.00 0.00 H new ATOM 0 HB3 LYS A 33 100.838 -4.216 4.486 1.00 0.00 H new ATOM 0 HG2 LYS A 33 99.747 -3.266 6.509 1.00 0.00 H new ATOM 0 HG3 LYS A 33 98.166 -3.460 5.777 1.00 0.00 H new ATOM 0 HD2 LYS A 33 98.450 -5.389 7.195 1.00 0.00 H new ATOM 0 HD3 LYS A 33 98.695 -5.977 5.563 1.00 0.00 H new ATOM 0 HE2 LYS A 33 101.056 -6.176 5.843 1.00 0.00 H new ATOM 0 HE3 LYS A 33 101.112 -4.971 7.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 101.227 -7.229 8.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 99.800 -6.462 8.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 99.745 -7.629 7.315 1.00 0.00 H new ATOM 550 N ILE A 34 102.041 -1.646 4.357 1.00 0.00 N ATOM 551 CA ILE A 34 103.073 -0.875 5.125 1.00 0.00 C ATOM 552 C ILE A 34 103.160 0.558 4.577 1.00 0.00 C ATOM 553 O ILE A 34 103.352 1.494 5.333 1.00 0.00 O ATOM 554 CB ILE A 34 104.411 -1.622 4.947 1.00 0.00 C ATOM 555 CG1 ILE A 34 104.293 -3.073 5.430 1.00 0.00 C ATOM 556 CG2 ILE A 34 105.513 -0.937 5.765 1.00 0.00 C ATOM 557 CD1 ILE A 34 105.478 -3.883 4.900 1.00 0.00 C ATOM 0 H ILE A 34 102.414 -2.241 3.618 1.00 0.00 H new ATOM 0 HA ILE A 34 102.820 -0.804 6.183 1.00 0.00 H new ATOM 0 HB ILE A 34 104.660 -1.605 3.886 1.00 0.00 H new ATOM 0 HG12 ILE A 34 104.275 -3.105 6.519 1.00 0.00 H new ATOM 0 HG13 ILE A 34 103.356 -3.509 5.083 1.00 0.00 H new ATOM 0 HG21 ILE A 34 106.452 -1.474 5.631 1.00 0.00 H new ATOM 0 HG22 ILE A 34 105.631 0.092 5.426 1.00 0.00 H new ATOM 0 HG23 ILE A 34 105.239 -0.942 6.820 1.00 0.00 H new ATOM 0 HD11 ILE A 34 105.396 -4.915 5.242 1.00 0.00 H new ATOM 0 HD12 ILE A 34 105.475 -3.861 3.810 1.00 0.00 H new ATOM 0 HD13 ILE A 34 106.408 -3.451 5.269 1.00 0.00 H new ATOM 569 N LEU A 35 103.018 0.721 3.282 1.00 0.00 N ATOM 570 CA LEU A 35 103.218 2.060 2.644 1.00 0.00 C ATOM 571 C LEU A 35 101.882 2.717 2.280 1.00 0.00 C ATOM 572 O LEU A 35 101.796 3.932 2.213 1.00 0.00 O ATOM 573 CB LEU A 35 104.008 1.778 1.365 1.00 0.00 C ATOM 574 CG LEU A 35 105.402 1.251 1.705 1.00 0.00 C ATOM 575 CD1 LEU A 35 106.002 0.586 0.465 1.00 0.00 C ATOM 576 CD2 LEU A 35 106.295 2.414 2.143 1.00 0.00 C ATOM 0 H LEU A 35 102.769 -0.026 2.634 1.00 0.00 H new ATOM 0 HA LEU A 35 103.730 2.742 3.323 1.00 0.00 H new ATOM 0 HB2 LEU A 35 103.476 1.049 0.754 1.00 0.00 H new ATOM 0 HB3 LEU A 35 104.091 2.689 0.773 1.00 0.00 H new ATOM 0 HG LEU A 35 105.333 0.525 2.515 1.00 0.00 H new ATOM 0 HD11 LEU A 35 106.997 0.208 0.700 1.00 0.00 H new ATOM 0 HD12 LEU A 35 105.364 -0.240 0.151 1.00 0.00 H new ATOM 0 HD13 LEU A 35 106.073 1.316 -0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 35 107.289 2.038 2.385 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.369 3.141 1.334 1.00 0.00 H new ATOM 0 HD23 LEU A 35 105.864 2.893 3.022 1.00 0.00 H new ATOM 588 N GLY A 36 100.854 1.932 2.052 1.00 0.00 N ATOM 589 CA GLY A 36 99.562 2.480 1.537 1.00 0.00 C ATOM 590 C GLY A 36 99.592 2.646 0.008 1.00 0.00 C ATOM 591 O GLY A 36 98.747 3.338 -0.534 1.00 0.00 O ATOM 0 H GLY A 36 100.858 0.923 2.204 1.00 0.00 H new ATOM 0 HA2 GLY A 36 98.746 1.814 1.816 1.00 0.00 H new ATOM 0 HA3 GLY A 36 99.361 3.444 2.005 1.00 0.00 H new ATOM 595 N PHE A 37 100.537 2.039 -0.687 1.00 0.00 N ATOM 596 CA PHE A 37 100.478 1.993 -2.182 1.00 0.00 C ATOM 597 C PHE A 37 101.178 0.737 -2.715 1.00 0.00 C ATOM 598 O PHE A 37 101.972 0.129 -2.020 1.00 0.00 O ATOM 599 CB PHE A 37 101.172 3.272 -2.669 1.00 0.00 C ATOM 600 CG PHE A 37 102.647 3.381 -2.339 1.00 0.00 C ATOM 601 CD1 PHE A 37 103.601 2.577 -3.037 1.00 0.00 C ATOM 602 CD2 PHE A 37 103.089 4.305 -1.342 1.00 0.00 C ATOM 603 CE1 PHE A 37 104.994 2.693 -2.740 1.00 0.00 C ATOM 604 CE2 PHE A 37 104.482 4.422 -1.041 1.00 0.00 C ATOM 605 CZ PHE A 37 105.434 3.615 -1.740 1.00 0.00 C ATOM 0 H PHE A 37 101.346 1.574 -0.276 1.00 0.00 H new ATOM 0 HA PHE A 37 99.451 1.944 -2.544 1.00 0.00 H new ATOM 0 HB2 PHE A 37 101.054 3.339 -3.750 1.00 0.00 H new ATOM 0 HB3 PHE A 37 100.657 4.130 -2.238 1.00 0.00 H new ATOM 0 HD1 PHE A 37 103.268 1.880 -3.791 1.00 0.00 H new ATOM 0 HD2 PHE A 37 102.370 4.915 -0.816 1.00 0.00 H new ATOM 0 HE1 PHE A 37 105.713 2.085 -3.270 1.00 0.00 H new ATOM 0 HE2 PHE A 37 104.815 5.119 -0.286 1.00 0.00 H new ATOM 0 HZ PHE A 37 106.486 3.702 -1.512 1.00 0.00 H new ATOM 615 N GLU A 38 100.882 0.361 -3.938 1.00 0.00 N ATOM 616 CA GLU A 38 101.540 -0.829 -4.562 1.00 0.00 C ATOM 617 C GLU A 38 102.771 -0.379 -5.369 1.00 0.00 C ATOM 618 O GLU A 38 102.596 0.218 -6.416 1.00 0.00 O ATOM 619 CB GLU A 38 100.485 -1.434 -5.493 1.00 0.00 C ATOM 620 CG GLU A 38 99.340 -2.012 -4.658 1.00 0.00 C ATOM 621 CD GLU A 38 98.089 -2.141 -5.527 1.00 0.00 C ATOM 622 OE1 GLU A 38 97.956 -3.153 -6.196 1.00 0.00 O ATOM 623 OE2 GLU A 38 97.283 -1.224 -5.510 1.00 0.00 O ATOM 0 H GLU A 38 100.205 0.835 -4.536 1.00 0.00 H new ATOM 0 HA GLU A 38 101.882 -1.549 -3.819 1.00 0.00 H new ATOM 0 HB2 GLU A 38 100.105 -0.672 -6.173 1.00 0.00 H new ATOM 0 HB3 GLU A 38 100.932 -2.216 -6.108 1.00 0.00 H new ATOM 0 HG2 GLU A 38 99.622 -2.987 -4.261 1.00 0.00 H new ATOM 0 HG3 GLU A 38 99.137 -1.366 -3.804 1.00 0.00 H new ATOM 630 N PRO A 39 103.973 -0.664 -4.887 1.00 0.00 N ATOM 631 CA PRO A 39 105.206 -0.180 -5.582 1.00 0.00 C ATOM 632 C PRO A 39 105.360 -0.866 -6.943 1.00 0.00 C ATOM 633 O PRO A 39 104.806 -1.929 -7.165 1.00 0.00 O ATOM 634 CB PRO A 39 106.330 -0.588 -4.630 1.00 0.00 C ATOM 635 CG PRO A 39 105.777 -1.778 -3.930 1.00 0.00 C ATOM 636 CD PRO A 39 104.336 -1.446 -3.684 1.00 0.00 C ATOM 0 HA PRO A 39 105.194 0.890 -5.787 1.00 0.00 H new ATOM 0 HB2 PRO A 39 107.246 -0.829 -5.170 1.00 0.00 H new ATOM 0 HB3 PRO A 39 106.574 0.212 -3.931 1.00 0.00 H new ATOM 0 HG2 PRO A 39 105.877 -2.676 -4.539 1.00 0.00 H new ATOM 0 HG3 PRO A 39 106.304 -1.967 -2.995 1.00 0.00 H new ATOM 0 HD2 PRO A 39 103.725 -2.343 -3.584 1.00 0.00 H new ATOM 0 HD3 PRO A 39 104.204 -0.867 -2.770 1.00 0.00 H new ATOM 644 N TYR A 40 106.105 -0.261 -7.841 1.00 0.00 N ATOM 645 CA TYR A 40 106.301 -0.851 -9.207 1.00 0.00 C ATOM 646 C TYR A 40 107.239 -2.056 -9.122 1.00 0.00 C ATOM 647 O TYR A 40 107.941 -2.223 -8.139 1.00 0.00 O ATOM 648 CB TYR A 40 106.937 0.249 -10.063 1.00 0.00 C ATOM 649 CG TYR A 40 107.084 -0.130 -11.517 1.00 0.00 C ATOM 650 CD1 TYR A 40 106.031 0.155 -12.442 1.00 0.00 C ATOM 651 CD2 TYR A 40 108.276 -0.775 -11.970 1.00 0.00 C ATOM 652 CE1 TYR A 40 106.171 -0.204 -13.817 1.00 0.00 C ATOM 653 CE2 TYR A 40 108.417 -1.135 -13.346 1.00 0.00 C ATOM 654 CZ TYR A 40 107.364 -0.849 -14.269 1.00 0.00 C ATOM 655 OH TYR A 40 107.500 -1.197 -15.598 1.00 0.00 O ATOM 0 H TYR A 40 106.589 0.623 -7.685 1.00 0.00 H new ATOM 0 HA TYR A 40 105.358 -1.191 -9.635 1.00 0.00 H new ATOM 0 HB2 TYR A 40 106.330 1.152 -9.990 1.00 0.00 H new ATOM 0 HB3 TYR A 40 107.919 0.492 -9.658 1.00 0.00 H new ATOM 0 HD1 TYR A 40 105.130 0.642 -12.100 1.00 0.00 H new ATOM 0 HD2 TYR A 40 109.071 -0.991 -11.272 1.00 0.00 H new ATOM 0 HE1 TYR A 40 105.376 0.012 -14.515 1.00 0.00 H new ATOM 0 HE2 TYR A 40 109.318 -1.622 -13.688 1.00 0.00 H new ATOM 0 HH TYR A 40 108.370 -1.625 -15.737 1.00 0.00 H new ATOM 665 N GLU A 41 107.256 -2.883 -10.145 1.00 0.00 N ATOM 666 CA GLU A 41 108.155 -4.082 -10.138 1.00 0.00 C ATOM 667 C GLU A 41 109.582 -3.659 -10.522 1.00 0.00 C ATOM 668 O GLU A 41 110.015 -3.826 -11.649 1.00 0.00 O ATOM 669 CB GLU A 41 107.567 -5.048 -11.175 1.00 0.00 C ATOM 670 CG GLU A 41 106.203 -5.549 -10.695 1.00 0.00 C ATOM 671 CD GLU A 41 105.643 -6.554 -11.702 1.00 0.00 C ATOM 672 OE1 GLU A 41 104.952 -6.130 -12.613 1.00 0.00 O ATOM 673 OE2 GLU A 41 105.916 -7.734 -11.545 1.00 0.00 O ATOM 0 H GLU A 41 106.685 -2.778 -10.984 1.00 0.00 H new ATOM 0 HA GLU A 41 108.213 -4.552 -9.156 1.00 0.00 H new ATOM 0 HB2 GLU A 41 107.463 -4.546 -12.137 1.00 0.00 H new ATOM 0 HB3 GLU A 41 108.242 -5.890 -11.326 1.00 0.00 H new ATOM 0 HG2 GLU A 41 106.300 -6.016 -9.715 1.00 0.00 H new ATOM 0 HG3 GLU A 41 105.516 -4.711 -10.582 1.00 0.00 H new ATOM 680 N GLY A 42 110.301 -3.107 -9.571 1.00 0.00 N ATOM 681 CA GLY A 42 111.739 -2.753 -9.785 1.00 0.00 C ATOM 682 C GLY A 42 112.306 -2.145 -8.500 1.00 0.00 C ATOM 683 O GLY A 42 111.565 -1.874 -7.570 1.00 0.00 O ATOM 0 H GLY A 42 109.944 -2.884 -8.642 1.00 0.00 H new ATOM 0 HA2 GLY A 42 112.307 -3.641 -10.062 1.00 0.00 H new ATOM 0 HA3 GLY A 42 111.833 -2.045 -10.608 1.00 0.00 H new ATOM 687 N THR A 43 113.601 -1.938 -8.449 1.00 0.00 N ATOM 688 CA THR A 43 114.234 -1.297 -7.253 1.00 0.00 C ATOM 689 C THR A 43 115.296 -0.280 -7.679 1.00 0.00 C ATOM 690 O THR A 43 115.812 -0.338 -8.780 1.00 0.00 O ATOM 691 CB THR A 43 114.883 -2.428 -6.446 1.00 0.00 C ATOM 692 OG1 THR A 43 115.468 -3.389 -7.316 1.00 0.00 O ATOM 693 CG2 THR A 43 113.828 -3.099 -5.565 1.00 0.00 C ATOM 0 H THR A 43 114.252 -2.189 -9.193 1.00 0.00 H new ATOM 0 HA THR A 43 113.491 -0.760 -6.663 1.00 0.00 H new ATOM 0 HB THR A 43 115.668 -2.007 -5.818 1.00 0.00 H new ATOM 0 HG1 THR A 43 115.879 -4.103 -6.786 1.00 0.00 H new ATOM 0 HG21 THR A 43 114.290 -3.903 -4.992 1.00 0.00 H new ATOM 0 HG22 THR A 43 113.404 -2.364 -4.882 1.00 0.00 H new ATOM 0 HG23 THR A 43 113.037 -3.510 -6.193 1.00 0.00 H new ATOM 701 N LEU A 44 115.610 0.644 -6.802 1.00 0.00 N ATOM 702 CA LEU A 44 116.768 1.560 -7.013 1.00 0.00 C ATOM 703 C LEU A 44 117.874 1.183 -6.025 1.00 0.00 C ATOM 704 O LEU A 44 117.690 1.296 -4.826 1.00 0.00 O ATOM 705 CB LEU A 44 116.219 2.961 -6.721 1.00 0.00 C ATOM 706 CG LEU A 44 117.291 4.020 -7.000 1.00 0.00 C ATOM 707 CD1 LEU A 44 117.519 4.137 -8.507 1.00 0.00 C ATOM 708 CD2 LEU A 44 116.825 5.369 -6.451 1.00 0.00 C ATOM 0 H LEU A 44 115.100 0.802 -5.933 1.00 0.00 H new ATOM 0 HA LEU A 44 117.191 1.505 -8.016 1.00 0.00 H new ATOM 0 HB2 LEU A 44 115.341 3.151 -7.338 1.00 0.00 H new ATOM 0 HB3 LEU A 44 115.898 3.024 -5.681 1.00 0.00 H new ATOM 0 HG LEU A 44 118.223 3.728 -6.515 1.00 0.00 H new ATOM 0 HD11 LEU A 44 118.282 4.891 -8.702 1.00 0.00 H new ATOM 0 HD12 LEU A 44 117.850 3.176 -8.901 1.00 0.00 H new ATOM 0 HD13 LEU A 44 116.588 4.428 -8.994 1.00 0.00 H new ATOM 0 HD21 LEU A 44 117.586 6.124 -6.648 1.00 0.00 H new ATOM 0 HD22 LEU A 44 115.893 5.657 -6.937 1.00 0.00 H new ATOM 0 HD23 LEU A 44 116.664 5.288 -5.376 1.00 0.00 H new ATOM 720 N ASN A 45 119.004 0.741 -6.525 1.00 0.00 N ATOM 721 CA ASN A 45 120.116 0.296 -5.632 1.00 0.00 C ATOM 722 C ASN A 45 121.141 1.421 -5.477 1.00 0.00 C ATOM 723 O ASN A 45 121.701 1.886 -6.454 1.00 0.00 O ATOM 724 CB ASN A 45 120.744 -0.906 -6.342 1.00 0.00 C ATOM 725 CG ASN A 45 119.837 -2.127 -6.183 1.00 0.00 C ATOM 726 OD1 ASN A 45 118.681 -2.094 -6.558 1.00 0.00 O ATOM 727 ND2 ASN A 45 120.316 -3.212 -5.639 1.00 0.00 N ATOM 0 H ASN A 45 119.203 0.670 -7.523 1.00 0.00 H new ATOM 0 HA ASN A 45 119.766 0.038 -4.632 1.00 0.00 H new ATOM 0 HB2 ASN A 45 120.888 -0.682 -7.399 1.00 0.00 H new ATOM 0 HB3 ASN A 45 121.729 -1.115 -5.924 1.00 0.00 H new ATOM 0 HD21 ASN A 45 119.721 -4.033 -5.528 1.00 0.00 H new ATOM 0 HD22 ASN A 45 121.286 -3.239 -5.324 1.00 0.00 H new ATOM 734 N LEU A 46 121.381 1.849 -4.258 1.00 0.00 N ATOM 735 CA LEU A 46 122.319 2.989 -4.010 1.00 0.00 C ATOM 736 C LEU A 46 123.475 2.550 -3.109 1.00 0.00 C ATOM 737 O LEU A 46 123.271 1.853 -2.130 1.00 0.00 O ATOM 738 CB LEU A 46 121.478 4.063 -3.320 1.00 0.00 C ATOM 739 CG LEU A 46 120.561 4.733 -4.345 1.00 0.00 C ATOM 740 CD1 LEU A 46 119.514 5.580 -3.618 1.00 0.00 C ATOM 741 CD2 LEU A 46 121.392 5.634 -5.262 1.00 0.00 C ATOM 0 H LEU A 46 120.962 1.452 -3.417 1.00 0.00 H new ATOM 0 HA LEU A 46 122.764 3.355 -4.935 1.00 0.00 H new ATOM 0 HB2 LEU A 46 120.884 3.617 -2.522 1.00 0.00 H new ATOM 0 HB3 LEU A 46 122.127 4.806 -2.857 1.00 0.00 H new ATOM 0 HG LEU A 46 120.063 3.967 -4.939 1.00 0.00 H new ATOM 0 HD11 LEU A 46 118.861 6.057 -4.349 1.00 0.00 H new ATOM 0 HD12 LEU A 46 118.921 4.942 -2.963 1.00 0.00 H new ATOM 0 HD13 LEU A 46 120.014 6.345 -3.024 1.00 0.00 H new ATOM 0 HD21 LEU A 46 120.739 6.111 -5.992 1.00 0.00 H new ATOM 0 HD22 LEU A 46 121.890 6.399 -4.666 1.00 0.00 H new ATOM 0 HD23 LEU A 46 122.140 5.034 -5.781 1.00 0.00 H new ATOM 753 N LYS A 47 124.675 2.960 -3.448 1.00 0.00 N ATOM 754 CA LYS A 47 125.853 2.733 -2.556 1.00 0.00 C ATOM 755 C LYS A 47 126.090 3.987 -1.710 1.00 0.00 C ATOM 756 O LYS A 47 126.110 5.087 -2.233 1.00 0.00 O ATOM 757 CB LYS A 47 127.032 2.487 -3.503 1.00 0.00 C ATOM 758 CG LYS A 47 128.269 2.074 -2.702 1.00 0.00 C ATOM 759 CD LYS A 47 129.480 2.009 -3.634 1.00 0.00 C ATOM 760 CE LYS A 47 130.692 1.483 -2.863 1.00 0.00 C ATOM 761 NZ LYS A 47 131.875 1.989 -3.614 1.00 0.00 N ATOM 0 H LYS A 47 124.889 3.449 -4.317 1.00 0.00 H new ATOM 0 HA LYS A 47 125.712 1.896 -1.872 1.00 0.00 H new ATOM 0 HB2 LYS A 47 126.776 1.707 -4.221 1.00 0.00 H new ATOM 0 HB3 LYS A 47 127.244 3.390 -4.075 1.00 0.00 H new ATOM 0 HG2 LYS A 47 128.452 2.789 -1.900 1.00 0.00 H new ATOM 0 HG3 LYS A 47 128.105 1.104 -2.233 1.00 0.00 H new ATOM 0 HD2 LYS A 47 129.265 1.358 -4.482 1.00 0.00 H new ATOM 0 HD3 LYS A 47 129.694 2.998 -4.038 1.00 0.00 H new ATOM 0 HE2 LYS A 47 130.693 1.844 -1.835 1.00 0.00 H new ATOM 0 HE3 LYS A 47 130.689 0.394 -2.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 132.747 1.669 -3.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 131.851 1.623 -4.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 131.855 3.029 -3.634 1.00 0.00 H new ATOM 775 N LEU A 48 126.265 3.818 -0.420 1.00 0.00 N ATOM 776 CA LEU A 48 126.432 4.983 0.500 1.00 0.00 C ATOM 777 C LEU A 48 127.864 5.040 1.037 1.00 0.00 C ATOM 778 O LEU A 48 128.578 4.052 1.007 1.00 0.00 O ATOM 779 CB LEU A 48 125.455 4.743 1.654 1.00 0.00 C ATOM 780 CG LEU A 48 124.013 4.793 1.146 1.00 0.00 C ATOM 781 CD1 LEU A 48 123.074 4.285 2.241 1.00 0.00 C ATOM 782 CD2 LEU A 48 123.645 6.236 0.793 1.00 0.00 C ATOM 0 H LEU A 48 126.299 2.907 0.038 1.00 0.00 H new ATOM 0 HA LEU A 48 126.237 5.925 -0.012 1.00 0.00 H new ATOM 0 HB2 LEU A 48 125.653 3.774 2.112 1.00 0.00 H new ATOM 0 HB3 LEU A 48 125.602 5.497 2.427 1.00 0.00 H new ATOM 0 HG LEU A 48 123.917 4.166 0.259 1.00 0.00 H new ATOM 0 HD11 LEU A 48 122.045 4.319 1.883 1.00 0.00 H new ATOM 0 HD12 LEU A 48 123.335 3.258 2.497 1.00 0.00 H new ATOM 0 HD13 LEU A 48 123.171 4.915 3.125 1.00 0.00 H new ATOM 0 HD21 LEU A 48 122.617 6.271 0.431 1.00 0.00 H new ATOM 0 HD22 LEU A 48 123.739 6.863 1.680 1.00 0.00 H new ATOM 0 HD23 LEU A 48 124.316 6.603 0.016 1.00 0.00 H new ATOM 794 N ASP A 49 128.272 6.191 1.519 1.00 0.00 N ATOM 795 CA ASP A 49 129.594 6.311 2.214 1.00 0.00 C ATOM 796 C ASP A 49 129.477 6.036 3.725 1.00 0.00 C ATOM 797 O ASP A 49 130.402 6.322 4.465 1.00 0.00 O ATOM 798 CB ASP A 49 130.082 7.747 1.945 1.00 0.00 C ATOM 799 CG ASP A 49 129.111 8.791 2.513 1.00 0.00 C ATOM 800 OD1 ASP A 49 127.949 8.755 2.143 1.00 0.00 O ATOM 801 OD2 ASP A 49 129.548 9.608 3.307 1.00 0.00 O ATOM 0 H ASP A 49 127.741 7.060 1.460 1.00 0.00 H new ATOM 0 HA ASP A 49 130.299 5.570 1.837 1.00 0.00 H new ATOM 0 HB2 ASP A 49 131.067 7.886 2.390 1.00 0.00 H new ATOM 0 HB3 ASP A 49 130.193 7.899 0.871 1.00 0.00 H new ATOM 806 N ARG A 50 128.367 5.490 4.182 1.00 0.00 N ATOM 807 CA ARG A 50 128.171 5.228 5.641 1.00 0.00 C ATOM 808 C ARG A 50 127.352 3.947 5.826 1.00 0.00 C ATOM 809 O ARG A 50 126.432 3.690 5.069 1.00 0.00 O ATOM 810 CB ARG A 50 127.393 6.435 6.172 1.00 0.00 C ATOM 811 CG ARG A 50 128.258 7.695 6.093 1.00 0.00 C ATOM 812 CD ARG A 50 127.526 8.857 6.771 1.00 0.00 C ATOM 813 NE ARG A 50 128.357 10.078 6.509 1.00 0.00 N ATOM 814 CZ ARG A 50 128.328 11.142 7.289 1.00 0.00 C ATOM 815 NH1 ARG A 50 127.553 11.237 8.345 1.00 0.00 N ATOM 816 NH2 ARG A 50 129.099 12.151 6.991 1.00 0.00 N ATOM 0 H ARG A 50 127.582 5.213 3.593 1.00 0.00 H new ATOM 0 HA ARG A 50 129.116 5.096 6.168 1.00 0.00 H new ATOM 0 HB2 ARG A 50 126.481 6.574 5.591 1.00 0.00 H new ATOM 0 HB3 ARG A 50 127.090 6.257 7.204 1.00 0.00 H new ATOM 0 HG2 ARG A 50 129.218 7.522 6.580 1.00 0.00 H new ATOM 0 HG3 ARG A 50 128.468 7.941 5.052 1.00 0.00 H new ATOM 0 HD2 ARG A 50 126.521 8.975 6.366 1.00 0.00 H new ATOM 0 HD3 ARG A 50 127.419 8.680 7.841 1.00 0.00 H new ATOM 0 HE ARG A 50 128.970 10.086 5.694 1.00 0.00 H new ATOM 0 HH11 ARG A 50 126.935 10.465 8.595 1.00 0.00 H new ATOM 0 HH12 ARG A 50 127.569 12.083 8.915 1.00 0.00 H new ATOM 0 HH21 ARG A 50 129.705 12.105 6.172 1.00 0.00 H new ATOM 0 HH22 ARG A 50 129.096 12.986 7.577 1.00 0.00 H new ATOM 830 N GLU A 51 127.684 3.153 6.820 1.00 0.00 N ATOM 831 CA GLU A 51 126.917 1.890 7.095 1.00 0.00 C ATOM 832 C GLU A 51 125.473 2.215 7.494 1.00 0.00 C ATOM 833 O GLU A 51 125.220 3.233 8.116 1.00 0.00 O ATOM 834 CB GLU A 51 127.636 1.190 8.254 1.00 0.00 C ATOM 835 CG GLU A 51 129.038 0.765 7.809 1.00 0.00 C ATOM 836 CD GLU A 51 129.724 -0.010 8.936 1.00 0.00 C ATOM 837 OE1 GLU A 51 129.075 -0.857 9.529 1.00 0.00 O ATOM 838 OE2 GLU A 51 130.888 0.257 9.187 1.00 0.00 O ATOM 0 H GLU A 51 128.460 3.327 7.458 1.00 0.00 H new ATOM 0 HA GLU A 51 126.877 1.257 6.209 1.00 0.00 H new ATOM 0 HB2 GLU A 51 127.703 1.860 9.111 1.00 0.00 H new ATOM 0 HB3 GLU A 51 127.066 0.318 8.575 1.00 0.00 H new ATOM 0 HG2 GLU A 51 128.974 0.145 6.915 1.00 0.00 H new ATOM 0 HG3 GLU A 51 129.628 1.643 7.546 1.00 0.00 H new ATOM 845 N PHE A 52 124.542 1.360 7.137 1.00 0.00 N ATOM 846 CA PHE A 52 123.103 1.604 7.463 1.00 0.00 C ATOM 847 C PHE A 52 122.471 0.351 8.077 1.00 0.00 C ATOM 848 O PHE A 52 122.679 -0.749 7.599 1.00 0.00 O ATOM 849 CB PHE A 52 122.440 1.934 6.123 1.00 0.00 C ATOM 850 CG PHE A 52 120.984 2.321 6.250 1.00 0.00 C ATOM 851 CD1 PHE A 52 120.003 1.320 6.528 1.00 0.00 C ATOM 852 CD2 PHE A 52 120.589 3.686 6.095 1.00 0.00 C ATOM 853 CE1 PHE A 52 118.626 1.684 6.653 1.00 0.00 C ATOM 854 CE2 PHE A 52 119.212 4.049 6.218 1.00 0.00 C ATOM 855 CZ PHE A 52 118.231 3.048 6.498 1.00 0.00 C ATOM 0 H PHE A 52 124.722 0.495 6.628 1.00 0.00 H new ATOM 0 HA PHE A 52 122.981 2.407 8.189 1.00 0.00 H new ATOM 0 HB2 PHE A 52 122.985 2.750 5.648 1.00 0.00 H new ATOM 0 HB3 PHE A 52 122.522 1.070 5.463 1.00 0.00 H new ATOM 0 HD1 PHE A 52 120.302 0.289 6.644 1.00 0.00 H new ATOM 0 HD2 PHE A 52 121.331 4.443 5.885 1.00 0.00 H new ATOM 0 HE1 PHE A 52 117.885 0.928 6.865 1.00 0.00 H new ATOM 0 HE2 PHE A 52 118.913 5.080 6.099 1.00 0.00 H new ATOM 0 HZ PHE A 52 117.191 3.323 6.592 1.00 0.00 H new ATOM 865 N ASP A 53 121.707 0.528 9.132 1.00 0.00 N ATOM 866 CA ASP A 53 120.948 -0.605 9.741 1.00 0.00 C ATOM 867 C ASP A 53 119.538 -0.139 10.118 1.00 0.00 C ATOM 868 O ASP A 53 119.381 0.833 10.836 1.00 0.00 O ATOM 869 CB ASP A 53 121.742 -0.988 10.992 1.00 0.00 C ATOM 870 CG ASP A 53 121.183 -2.286 11.581 1.00 0.00 C ATOM 871 OD1 ASP A 53 120.929 -3.201 10.816 1.00 0.00 O ATOM 872 OD2 ASP A 53 121.022 -2.342 12.788 1.00 0.00 O ATOM 0 H ASP A 53 121.578 1.425 9.601 1.00 0.00 H new ATOM 0 HA ASP A 53 120.837 -1.449 9.060 1.00 0.00 H new ATOM 0 HB2 ASP A 53 122.795 -1.115 10.741 1.00 0.00 H new ATOM 0 HB3 ASP A 53 121.684 -0.188 11.730 1.00 0.00 H new ATOM 877 N ILE A 54 118.526 -0.828 9.637 1.00 0.00 N ATOM 878 CA ILE A 54 117.109 -0.398 9.894 1.00 0.00 C ATOM 879 C ILE A 54 116.769 -0.450 11.398 1.00 0.00 C ATOM 880 O ILE A 54 115.862 0.233 11.839 1.00 0.00 O ATOM 881 CB ILE A 54 116.216 -1.338 9.057 1.00 0.00 C ATOM 882 CG1 ILE A 54 114.753 -0.891 9.163 1.00 0.00 C ATOM 883 CG2 ILE A 54 116.352 -2.793 9.528 1.00 0.00 C ATOM 884 CD1 ILE A 54 113.906 -1.604 8.106 1.00 0.00 C ATOM 0 H ILE A 54 118.621 -1.674 9.075 1.00 0.00 H new ATOM 0 HA ILE A 54 116.948 0.640 9.602 1.00 0.00 H new ATOM 0 HB ILE A 54 116.541 -1.285 8.018 1.00 0.00 H new ATOM 0 HG12 ILE A 54 114.368 -1.113 10.158 1.00 0.00 H new ATOM 0 HG13 ILE A 54 114.684 0.188 9.028 1.00 0.00 H new ATOM 0 HG21 ILE A 54 115.712 -3.433 8.921 1.00 0.00 H new ATOM 0 HG22 ILE A 54 117.389 -3.114 9.425 1.00 0.00 H new ATOM 0 HG23 ILE A 54 116.052 -2.867 10.573 1.00 0.00 H new ATOM 0 HD11 ILE A 54 112.869 -1.279 8.191 1.00 0.00 H new ATOM 0 HD12 ILE A 54 114.283 -1.360 7.113 1.00 0.00 H new ATOM 0 HD13 ILE A 54 113.962 -2.681 8.261 1.00 0.00 H new ATOM 896 N ASN A 55 117.482 -1.245 12.168 1.00 0.00 N ATOM 897 CA ASN A 55 117.204 -1.341 13.642 1.00 0.00 C ATOM 898 C ASN A 55 117.676 -0.090 14.402 1.00 0.00 C ATOM 899 O ASN A 55 117.472 -0.004 15.600 1.00 0.00 O ATOM 900 CB ASN A 55 117.960 -2.575 14.145 1.00 0.00 C ATOM 901 CG ASN A 55 117.387 -3.839 13.496 1.00 0.00 C ATOM 902 OD1 ASN A 55 116.195 -3.941 13.285 1.00 0.00 O ATOM 903 ND2 ASN A 55 118.193 -4.812 13.170 1.00 0.00 N ATOM 0 H ASN A 55 118.247 -1.833 11.837 1.00 0.00 H new ATOM 0 HA ASN A 55 116.131 -1.419 13.814 1.00 0.00 H new ATOM 0 HB2 ASN A 55 119.020 -2.484 13.909 1.00 0.00 H new ATOM 0 HB3 ASN A 55 117.879 -2.644 15.230 1.00 0.00 H new ATOM 0 HD21 ASN A 55 117.822 -5.658 12.738 1.00 0.00 H new ATOM 0 HD22 ASN A 55 119.194 -4.726 13.347 1.00 0.00 H new ATOM 910 N LYS A 56 118.296 0.863 13.736 1.00 0.00 N ATOM 911 CA LYS A 56 118.600 2.182 14.381 1.00 0.00 C ATOM 912 C LYS A 56 117.458 3.191 14.165 1.00 0.00 C ATOM 913 O LYS A 56 117.423 4.214 14.827 1.00 0.00 O ATOM 914 CB LYS A 56 119.891 2.682 13.722 1.00 0.00 C ATOM 915 CG LYS A 56 121.051 1.749 14.079 1.00 0.00 C ATOM 916 CD LYS A 56 121.428 1.937 15.550 1.00 0.00 C ATOM 917 CE LYS A 56 122.711 1.158 15.851 1.00 0.00 C ATOM 918 NZ LYS A 56 123.817 2.057 15.418 1.00 0.00 N ATOM 0 H LYS A 56 118.605 0.780 12.767 1.00 0.00 H new ATOM 0 HA LYS A 56 118.711 2.072 15.460 1.00 0.00 H new ATOM 0 HB2 LYS A 56 119.765 2.723 12.640 1.00 0.00 H new ATOM 0 HB3 LYS A 56 120.112 3.696 14.056 1.00 0.00 H new ATOM 0 HG2 LYS A 56 120.767 0.713 13.896 1.00 0.00 H new ATOM 0 HG3 LYS A 56 121.910 1.961 13.443 1.00 0.00 H new ATOM 0 HD2 LYS A 56 121.573 2.995 15.767 1.00 0.00 H new ATOM 0 HD3 LYS A 56 120.619 1.588 16.191 1.00 0.00 H new ATOM 0 HE2 LYS A 56 122.788 0.919 16.912 1.00 0.00 H new ATOM 0 HE3 LYS A 56 122.735 0.213 15.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 124.566 1.494 14.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 123.452 2.754 14.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 124.207 2.551 16.246 1.00 0.00 H new ATOM 932 N PHE A 57 116.539 2.919 13.260 1.00 0.00 N ATOM 933 CA PHE A 57 115.333 3.789 13.091 1.00 0.00 C ATOM 934 C PHE A 57 114.078 2.995 13.467 1.00 0.00 C ATOM 935 O PHE A 57 114.161 1.812 13.748 1.00 0.00 O ATOM 936 CB PHE A 57 115.294 4.174 11.609 1.00 0.00 C ATOM 937 CG PHE A 57 116.548 4.858 11.112 1.00 0.00 C ATOM 938 CD1 PHE A 57 116.665 6.281 11.179 1.00 0.00 C ATOM 939 CD2 PHE A 57 117.619 4.078 10.577 1.00 0.00 C ATOM 940 CE1 PHE A 57 117.853 6.923 10.710 1.00 0.00 C ATOM 941 CE2 PHE A 57 118.807 4.720 10.107 1.00 0.00 C ATOM 942 CZ PHE A 57 118.923 6.143 10.174 1.00 0.00 C ATOM 0 H PHE A 57 116.578 2.121 12.626 1.00 0.00 H new ATOM 0 HA PHE A 57 115.374 4.674 13.726 1.00 0.00 H new ATOM 0 HB2 PHE A 57 115.125 3.275 11.016 1.00 0.00 H new ATOM 0 HB3 PHE A 57 114.443 4.833 11.439 1.00 0.00 H new ATOM 0 HD1 PHE A 57 115.856 6.871 11.584 1.00 0.00 H new ATOM 0 HD2 PHE A 57 117.531 3.003 10.528 1.00 0.00 H new ATOM 0 HE1 PHE A 57 117.942 7.998 10.761 1.00 0.00 H new ATOM 0 HE2 PHE A 57 119.616 4.130 9.702 1.00 0.00 H new ATOM 0 HZ PHE A 57 119.820 6.629 9.819 1.00 0.00 H new ATOM 952 N LYS A 58 112.934 3.640 13.472 1.00 0.00 N ATOM 953 CA LYS A 58 111.661 2.949 13.852 1.00 0.00 C ATOM 954 C LYS A 58 110.971 2.396 12.601 1.00 0.00 C ATOM 955 O LYS A 58 110.342 3.133 11.863 1.00 0.00 O ATOM 956 CB LYS A 58 110.793 4.022 14.516 1.00 0.00 C ATOM 957 CG LYS A 58 111.429 4.448 15.840 1.00 0.00 C ATOM 958 CD LYS A 58 110.504 5.432 16.558 1.00 0.00 C ATOM 959 CE LYS A 58 111.185 5.937 17.833 1.00 0.00 C ATOM 960 NZ LYS A 58 112.069 7.048 17.381 1.00 0.00 N ATOM 0 H LYS A 58 112.828 4.624 13.227 1.00 0.00 H new ATOM 0 HA LYS A 58 111.837 2.107 14.521 1.00 0.00 H new ATOM 0 HB2 LYS A 58 110.692 4.883 13.855 1.00 0.00 H new ATOM 0 HB3 LYS A 58 109.789 3.635 14.691 1.00 0.00 H new ATOM 0 HG2 LYS A 58 111.606 3.575 16.468 1.00 0.00 H new ATOM 0 HG3 LYS A 58 112.399 4.911 15.657 1.00 0.00 H new ATOM 0 HD2 LYS A 58 110.269 6.270 15.902 1.00 0.00 H new ATOM 0 HD3 LYS A 58 109.560 4.946 16.805 1.00 0.00 H new ATOM 0 HE2 LYS A 58 110.452 6.286 18.561 1.00 0.00 H new ATOM 0 HE3 LYS A 58 111.760 5.146 18.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 112.972 7.004 17.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 112.246 6.957 16.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 111.606 7.960 17.572 1.00 0.00 H new ATOM 974 N TYR A 59 111.093 1.107 12.372 1.00 0.00 N ATOM 975 CA TYR A 59 110.492 0.472 11.159 1.00 0.00 C ATOM 976 C TYR A 59 109.297 -0.411 11.549 1.00 0.00 C ATOM 977 O TYR A 59 108.999 -0.568 12.719 1.00 0.00 O ATOM 978 CB TYR A 59 111.640 -0.346 10.544 1.00 0.00 C ATOM 979 CG TYR A 59 112.093 -1.534 11.371 1.00 0.00 C ATOM 980 CD1 TYR A 59 113.122 -1.380 12.351 1.00 0.00 C ATOM 981 CD2 TYR A 59 111.481 -2.810 11.173 1.00 0.00 C ATOM 982 CE1 TYR A 59 113.540 -2.503 13.132 1.00 0.00 C ATOM 983 CE2 TYR A 59 111.898 -3.932 11.954 1.00 0.00 C ATOM 984 CZ TYR A 59 112.927 -3.779 12.933 1.00 0.00 C ATOM 985 OH TYR A 59 113.330 -4.862 13.686 1.00 0.00 O ATOM 0 H TYR A 59 111.591 0.462 12.985 1.00 0.00 H new ATOM 0 HA TYR A 59 110.097 1.199 10.450 1.00 0.00 H new ATOM 0 HB2 TYR A 59 111.327 -0.703 9.563 1.00 0.00 H new ATOM 0 HB3 TYR A 59 112.493 0.314 10.386 1.00 0.00 H new ATOM 0 HD1 TYR A 59 113.584 -0.416 12.502 1.00 0.00 H new ATOM 0 HD2 TYR A 59 110.703 -2.927 10.433 1.00 0.00 H new ATOM 0 HE1 TYR A 59 114.318 -2.387 13.872 1.00 0.00 H new ATOM 0 HE2 TYR A 59 111.435 -4.896 11.804 1.00 0.00 H new ATOM 0 HH TYR A 59 114.308 -4.873 13.746 1.00 0.00 H new ATOM 995 N ILE A 60 108.626 -0.975 10.570 1.00 0.00 N ATOM 996 CA ILE A 60 107.517 -1.941 10.845 1.00 0.00 C ATOM 997 C ILE A 60 107.975 -3.337 10.407 1.00 0.00 C ATOM 998 O ILE A 60 108.484 -3.503 9.313 1.00 0.00 O ATOM 999 CB ILE A 60 106.314 -1.455 10.013 1.00 0.00 C ATOM 1000 CG1 ILE A 60 105.914 -0.033 10.428 1.00 0.00 C ATOM 1001 CG2 ILE A 60 105.108 -2.375 10.233 1.00 0.00 C ATOM 1002 CD1 ILE A 60 104.982 0.568 9.374 1.00 0.00 C ATOM 0 H ILE A 60 108.804 -0.803 9.580 1.00 0.00 H new ATOM 0 HA ILE A 60 107.246 -1.994 11.899 1.00 0.00 H new ATOM 0 HB ILE A 60 106.608 -1.467 8.963 1.00 0.00 H new ATOM 0 HG12 ILE A 60 105.417 -0.053 11.398 1.00 0.00 H new ATOM 0 HG13 ILE A 60 106.803 0.588 10.538 1.00 0.00 H new ATOM 0 HG21 ILE A 60 104.266 -2.019 9.639 1.00 0.00 H new ATOM 0 HG22 ILE A 60 105.364 -3.390 9.928 1.00 0.00 H new ATOM 0 HG23 ILE A 60 104.835 -2.371 11.288 1.00 0.00 H new ATOM 0 HD11 ILE A 60 104.700 1.578 9.671 1.00 0.00 H new ATOM 0 HD12 ILE A 60 105.494 0.603 8.413 1.00 0.00 H new ATOM 0 HD13 ILE A 60 104.087 -0.048 9.286 1.00 0.00 H new ATOM 1014 N GLU A 61 107.797 -4.323 11.257 1.00 0.00 N ATOM 1015 CA GLU A 61 108.227 -5.716 10.927 1.00 0.00 C ATOM 1016 C GLU A 61 107.007 -6.583 10.608 1.00 0.00 C ATOM 1017 O GLU A 61 105.966 -6.433 11.225 1.00 0.00 O ATOM 1018 CB GLU A 61 108.920 -6.222 12.192 1.00 0.00 C ATOM 1019 CG GLU A 61 109.658 -7.527 11.886 1.00 0.00 C ATOM 1020 CD GLU A 61 110.262 -8.089 13.174 1.00 0.00 C ATOM 1021 OE1 GLU A 61 109.563 -8.112 14.174 1.00 0.00 O ATOM 1022 OE2 GLU A 61 111.414 -8.488 13.140 1.00 0.00 O ATOM 0 H GLU A 61 107.367 -4.217 12.176 1.00 0.00 H new ATOM 0 HA GLU A 61 108.882 -5.752 10.056 1.00 0.00 H new ATOM 0 HB2 GLU A 61 109.622 -5.473 12.559 1.00 0.00 H new ATOM 0 HB3 GLU A 61 108.186 -6.384 12.981 1.00 0.00 H new ATOM 0 HG2 GLU A 61 108.971 -8.251 11.448 1.00 0.00 H new ATOM 0 HG3 GLU A 61 110.443 -7.349 11.152 1.00 0.00 H new ATOM 1029 N THR A 62 107.134 -7.480 9.654 1.00 0.00 N ATOM 1030 CA THR A 62 106.003 -8.389 9.290 1.00 0.00 C ATOM 1031 C THR A 62 106.413 -9.857 9.456 1.00 0.00 C ATOM 1032 O THR A 62 107.511 -10.242 9.098 1.00 0.00 O ATOM 1033 CB THR A 62 105.694 -8.068 7.829 1.00 0.00 C ATOM 1034 OG1 THR A 62 106.893 -8.120 7.069 1.00 0.00 O ATOM 1035 CG2 THR A 62 105.087 -6.667 7.739 1.00 0.00 C ATOM 0 H THR A 62 107.984 -7.620 9.108 1.00 0.00 H new ATOM 0 HA THR A 62 105.134 -8.241 9.931 1.00 0.00 H new ATOM 0 HB THR A 62 104.986 -8.797 7.434 1.00 0.00 H new ATOM 0 HG1 THR A 62 107.393 -7.286 7.189 1.00 0.00 H new ATOM 0 HG21 THR A 62 104.865 -6.433 6.698 1.00 0.00 H new ATOM 0 HG22 THR A 62 104.168 -6.631 8.323 1.00 0.00 H new ATOM 0 HG23 THR A 62 105.796 -5.938 8.131 1.00 0.00 H new ATOM 1043 N GLU A 63 105.521 -10.661 9.989 1.00 0.00 N ATOM 1044 CA GLU A 63 105.881 -12.047 10.442 1.00 0.00 C ATOM 1045 C GLU A 63 106.016 -13.016 9.258 1.00 0.00 C ATOM 1046 O GLU A 63 105.708 -12.672 8.131 1.00 0.00 O ATOM 1047 CB GLU A 63 104.766 -12.500 11.403 1.00 0.00 C ATOM 1048 CG GLU A 63 103.395 -12.504 10.710 1.00 0.00 C ATOM 1049 CD GLU A 63 102.425 -13.379 11.508 1.00 0.00 C ATOM 1050 OE1 GLU A 63 102.359 -14.564 11.226 1.00 0.00 O ATOM 1051 OE2 GLU A 63 101.766 -12.849 12.387 1.00 0.00 O ATOM 0 H GLU A 63 104.542 -10.412 10.132 1.00 0.00 H new ATOM 0 HA GLU A 63 106.851 -12.045 10.939 1.00 0.00 H new ATOM 0 HB2 GLU A 63 104.989 -13.499 11.776 1.00 0.00 H new ATOM 0 HB3 GLU A 63 104.737 -11.836 12.267 1.00 0.00 H new ATOM 0 HG2 GLU A 63 103.009 -11.487 10.637 1.00 0.00 H new ATOM 0 HG3 GLU A 63 103.491 -12.883 9.692 1.00 0.00 H new ATOM 1058 N ASP A 64 106.473 -14.221 9.528 1.00 0.00 N ATOM 1059 CA ASP A 64 106.680 -15.242 8.444 1.00 0.00 C ATOM 1060 C ASP A 64 105.319 -15.668 7.880 1.00 0.00 C ATOM 1061 O ASP A 64 104.365 -15.808 8.624 1.00 0.00 O ATOM 1062 CB ASP A 64 107.377 -16.446 9.102 1.00 0.00 C ATOM 1063 CG ASP A 64 108.728 -16.029 9.691 1.00 0.00 C ATOM 1064 OD1 ASP A 64 109.566 -15.567 8.937 1.00 0.00 O ATOM 1065 OD2 ASP A 64 108.900 -16.179 10.890 1.00 0.00 O ATOM 0 H ASP A 64 106.714 -14.544 10.465 1.00 0.00 H new ATOM 0 HA ASP A 64 107.280 -14.843 7.626 1.00 0.00 H new ATOM 0 HB2 ASP A 64 106.742 -16.856 9.888 1.00 0.00 H new ATOM 0 HB3 ASP A 64 107.523 -17.236 8.365 1.00 0.00 H new ATOM 1070 N PHE A 65 105.234 -15.868 6.583 1.00 0.00 N ATOM 1071 CA PHE A 65 103.925 -16.202 5.938 1.00 0.00 C ATOM 1072 C PHE A 65 104.099 -17.339 4.924 1.00 0.00 C ATOM 1073 O PHE A 65 105.211 -17.679 4.563 1.00 0.00 O ATOM 1074 CB PHE A 65 103.476 -14.908 5.249 1.00 0.00 C ATOM 1075 CG PHE A 65 104.431 -14.398 4.193 1.00 0.00 C ATOM 1076 CD1 PHE A 65 104.285 -14.822 2.837 1.00 0.00 C ATOM 1077 CD2 PHE A 65 105.479 -13.492 4.551 1.00 0.00 C ATOM 1078 CE1 PHE A 65 105.187 -14.342 1.837 1.00 0.00 C ATOM 1079 CE2 PHE A 65 106.380 -13.012 3.551 1.00 0.00 C ATOM 1080 CZ PHE A 65 106.233 -13.437 2.193 1.00 0.00 C ATOM 0 H PHE A 65 106.024 -15.813 5.940 1.00 0.00 H new ATOM 0 HA PHE A 65 103.186 -16.548 6.661 1.00 0.00 H new ATOM 0 HB2 PHE A 65 102.501 -15.075 4.790 1.00 0.00 H new ATOM 0 HB3 PHE A 65 103.344 -14.135 6.006 1.00 0.00 H new ATOM 0 HD1 PHE A 65 103.493 -15.505 2.567 1.00 0.00 H new ATOM 0 HD2 PHE A 65 105.589 -13.171 5.576 1.00 0.00 H new ATOM 0 HE1 PHE A 65 105.077 -14.664 0.812 1.00 0.00 H new ATOM 0 HE2 PHE A 65 107.172 -12.329 3.820 1.00 0.00 H new ATOM 0 HZ PHE A 65 106.913 -13.073 1.437 1.00 0.00 H new ATOM 1090 N GLU A 66 103.008 -17.915 4.471 1.00 0.00 N ATOM 1091 CA GLU A 66 103.074 -19.017 3.460 1.00 0.00 C ATOM 1092 C GLU A 66 102.204 -18.685 2.243 1.00 0.00 C ATOM 1093 O GLU A 66 101.196 -18.011 2.360 1.00 0.00 O ATOM 1094 CB GLU A 66 102.534 -20.255 4.183 1.00 0.00 C ATOM 1095 CG GLU A 66 103.679 -20.979 4.900 1.00 0.00 C ATOM 1096 CD GLU A 66 103.137 -22.159 5.714 1.00 0.00 C ATOM 1097 OE1 GLU A 66 102.068 -22.027 6.290 1.00 0.00 O ATOM 1098 OE2 GLU A 66 103.809 -23.176 5.756 1.00 0.00 O ATOM 0 H GLU A 66 102.064 -17.664 4.764 1.00 0.00 H new ATOM 0 HA GLU A 66 104.088 -19.169 3.089 1.00 0.00 H new ATOM 0 HB2 GLU A 66 101.769 -19.962 4.903 1.00 0.00 H new ATOM 0 HB3 GLU A 66 102.058 -20.926 3.468 1.00 0.00 H new ATOM 0 HG2 GLU A 66 104.406 -21.336 4.170 1.00 0.00 H new ATOM 0 HG3 GLU A 66 104.202 -20.285 5.558 1.00 0.00 H new ATOM 1105 N PHE A 67 102.603 -19.160 1.086 1.00 0.00 N ATOM 1106 CA PHE A 67 101.783 -19.003 -0.153 1.00 0.00 C ATOM 1107 C PHE A 67 102.022 -20.203 -1.074 1.00 0.00 C ATOM 1108 O PHE A 67 103.147 -20.627 -1.259 1.00 0.00 O ATOM 1109 CB PHE A 67 102.283 -17.707 -0.798 1.00 0.00 C ATOM 1110 CG PHE A 67 101.581 -17.354 -2.090 1.00 0.00 C ATOM 1111 CD1 PHE A 67 100.296 -16.729 -2.062 1.00 0.00 C ATOM 1112 CD2 PHE A 67 102.204 -17.648 -3.343 1.00 0.00 C ATOM 1113 CE1 PHE A 67 99.634 -16.398 -3.285 1.00 0.00 C ATOM 1114 CE2 PHE A 67 101.543 -17.317 -4.566 1.00 0.00 C ATOM 1115 CZ PHE A 67 100.257 -16.692 -4.536 1.00 0.00 C ATOM 0 H PHE A 67 103.481 -19.660 0.949 1.00 0.00 H new ATOM 0 HA PHE A 67 100.713 -18.959 0.048 1.00 0.00 H new ATOM 0 HB2 PHE A 67 102.154 -16.888 -0.091 1.00 0.00 H new ATOM 0 HB3 PHE A 67 103.352 -17.797 -0.990 1.00 0.00 H new ATOM 0 HD1 PHE A 67 99.825 -16.507 -1.116 1.00 0.00 H new ATOM 0 HD2 PHE A 67 103.175 -18.121 -3.365 1.00 0.00 H new ATOM 0 HE1 PHE A 67 98.663 -15.926 -3.263 1.00 0.00 H new ATOM 0 HE2 PHE A 67 102.014 -17.539 -5.512 1.00 0.00 H new ATOM 0 HZ PHE A 67 99.757 -16.442 -5.460 1.00 0.00 H new ATOM 1125 N ASN A 68 100.971 -20.757 -1.644 1.00 0.00 N ATOM 1126 CA ASN A 68 101.083 -21.926 -2.587 1.00 0.00 C ATOM 1127 C ASN A 68 101.902 -23.080 -1.984 1.00 0.00 C ATOM 1128 O ASN A 68 102.588 -23.794 -2.695 1.00 0.00 O ATOM 1129 CB ASN A 68 101.755 -21.383 -3.854 1.00 0.00 C ATOM 1130 CG ASN A 68 100.810 -20.408 -4.560 1.00 0.00 C ATOM 1131 OD1 ASN A 68 100.109 -19.651 -3.920 1.00 0.00 O ATOM 1132 ND2 ASN A 68 100.761 -20.397 -5.864 1.00 0.00 N ATOM 0 H ASN A 68 100.014 -20.439 -1.490 1.00 0.00 H new ATOM 0 HA ASN A 68 100.098 -22.343 -2.798 1.00 0.00 H new ATOM 0 HB2 ASN A 68 102.687 -20.879 -3.596 1.00 0.00 H new ATOM 0 HB3 ASN A 68 102.011 -22.205 -4.522 1.00 0.00 H new ATOM 0 HD21 ASN A 68 100.134 -19.752 -6.345 1.00 0.00 H new ATOM 0 HD22 ASN A 68 101.350 -21.033 -6.402 1.00 0.00 H new ATOM 1139 N GLY A 69 101.826 -23.255 -0.684 1.00 0.00 N ATOM 1140 CA GLY A 69 102.522 -24.394 -0.008 1.00 0.00 C ATOM 1141 C GLY A 69 104.026 -24.125 0.163 1.00 0.00 C ATOM 1142 O GLY A 69 104.780 -25.051 0.403 1.00 0.00 O ATOM 0 H GLY A 69 101.302 -22.646 -0.055 1.00 0.00 H new ATOM 0 HA2 GLY A 69 102.071 -24.567 0.969 1.00 0.00 H new ATOM 0 HA3 GLY A 69 102.380 -25.304 -0.591 1.00 0.00 H new ATOM 1146 N LYS A 70 104.463 -22.887 0.045 1.00 0.00 N ATOM 1147 CA LYS A 70 105.911 -22.555 0.211 1.00 0.00 C ATOM 1148 C LYS A 70 106.080 -21.532 1.337 1.00 0.00 C ATOM 1149 O LYS A 70 105.280 -20.623 1.465 1.00 0.00 O ATOM 1150 CB LYS A 70 106.341 -21.953 -1.128 1.00 0.00 C ATOM 1151 CG LYS A 70 106.305 -23.032 -2.213 1.00 0.00 C ATOM 1152 CD LYS A 70 106.840 -22.456 -3.525 1.00 0.00 C ATOM 1153 CE LYS A 70 106.692 -23.495 -4.638 1.00 0.00 C ATOM 1154 NZ LYS A 70 106.587 -22.701 -5.894 1.00 0.00 N ATOM 0 H LYS A 70 103.865 -22.087 -0.162 1.00 0.00 H new ATOM 0 HA LYS A 70 106.511 -23.427 0.471 1.00 0.00 H new ATOM 0 HB2 LYS A 70 105.679 -21.130 -1.397 1.00 0.00 H new ATOM 0 HB3 LYS A 70 107.346 -21.539 -1.046 1.00 0.00 H new ATOM 0 HG2 LYS A 70 106.906 -23.889 -1.908 1.00 0.00 H new ATOM 0 HG3 LYS A 70 105.285 -23.390 -2.350 1.00 0.00 H new ATOM 0 HD2 LYS A 70 106.294 -21.549 -3.785 1.00 0.00 H new ATOM 0 HD3 LYS A 70 107.887 -22.176 -3.411 1.00 0.00 H new ATOM 0 HE2 LYS A 70 107.549 -24.168 -4.667 1.00 0.00 H new ATOM 0 HE3 LYS A 70 105.807 -24.113 -4.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 106.483 -23.345 -6.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 105.758 -22.075 -5.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 107.446 -22.128 -6.015 1.00 0.00 H new ATOM 1168 N ARG A 71 107.109 -21.683 2.139 1.00 0.00 N ATOM 1169 CA ARG A 71 107.318 -20.770 3.307 1.00 0.00 C ATOM 1170 C ARG A 71 108.240 -19.609 2.919 1.00 0.00 C ATOM 1171 O ARG A 71 109.284 -19.817 2.329 1.00 0.00 O ATOM 1172 CB ARG A 71 107.969 -21.636 4.388 1.00 0.00 C ATOM 1173 CG ARG A 71 106.960 -22.677 4.879 1.00 0.00 C ATOM 1174 CD ARG A 71 107.603 -23.547 5.964 1.00 0.00 C ATOM 1175 NE ARG A 71 106.575 -24.580 6.320 1.00 0.00 N ATOM 1176 CZ ARG A 71 106.891 -25.760 6.819 1.00 0.00 C ATOM 1177 NH1 ARG A 71 108.127 -26.122 7.076 1.00 0.00 N ATOM 1178 NH2 ARG A 71 105.929 -26.602 7.080 1.00 0.00 N ATOM 0 H ARG A 71 107.819 -22.407 2.032 1.00 0.00 H new ATOM 0 HA ARG A 71 106.383 -20.329 3.652 1.00 0.00 H new ATOM 0 HB2 ARG A 71 108.854 -22.131 3.989 1.00 0.00 H new ATOM 0 HB3 ARG A 71 108.299 -21.013 5.219 1.00 0.00 H new ATOM 0 HG2 ARG A 71 106.074 -22.181 5.275 1.00 0.00 H new ATOM 0 HG3 ARG A 71 106.631 -23.300 4.047 1.00 0.00 H new ATOM 0 HD2 ARG A 71 108.518 -24.015 5.600 1.00 0.00 H new ATOM 0 HD3 ARG A 71 107.875 -22.950 6.834 1.00 0.00 H new ATOM 0 HE ARG A 71 105.590 -24.361 6.170 1.00 0.00 H new ATOM 0 HH11 ARG A 71 108.896 -25.478 6.890 1.00 0.00 H new ATOM 0 HH12 ARG A 71 108.318 -27.047 7.462 1.00 0.00 H new ATOM 0 HH21 ARG A 71 104.960 -26.341 6.898 1.00 0.00 H new ATOM 0 HH22 ARG A 71 106.146 -27.521 7.466 1.00 0.00 H new ATOM 1192 N PHE A 72 107.848 -18.399 3.251 1.00 0.00 N ATOM 1193 CA PHE A 72 108.688 -17.200 2.957 1.00 0.00 C ATOM 1194 C PHE A 72 109.014 -16.467 4.261 1.00 0.00 C ATOM 1195 O PHE A 72 108.197 -16.422 5.165 1.00 0.00 O ATOM 1196 CB PHE A 72 107.827 -16.326 2.045 1.00 0.00 C ATOM 1197 CG PHE A 72 107.498 -16.980 0.723 1.00 0.00 C ATOM 1198 CD1 PHE A 72 106.434 -17.930 0.639 1.00 0.00 C ATOM 1199 CD2 PHE A 72 108.254 -16.649 -0.445 1.00 0.00 C ATOM 1200 CE1 PHE A 72 106.125 -18.549 -0.611 1.00 0.00 C ATOM 1201 CE2 PHE A 72 107.944 -17.268 -1.695 1.00 0.00 C ATOM 1202 CZ PHE A 72 106.880 -18.218 -1.778 1.00 0.00 C ATOM 0 H PHE A 72 106.966 -18.193 3.721 1.00 0.00 H new ATOM 0 HA PHE A 72 109.637 -17.457 2.487 1.00 0.00 H new ATOM 0 HB2 PHE A 72 106.899 -16.079 2.561 1.00 0.00 H new ATOM 0 HB3 PHE A 72 108.347 -15.387 1.858 1.00 0.00 H new ATOM 0 HD1 PHE A 72 105.863 -18.180 1.521 1.00 0.00 H new ATOM 0 HD2 PHE A 72 109.059 -15.932 -0.382 1.00 0.00 H new ATOM 0 HE1 PHE A 72 105.321 -19.267 -0.674 1.00 0.00 H new ATOM 0 HE2 PHE A 72 108.514 -17.018 -2.577 1.00 0.00 H new ATOM 0 HZ PHE A 72 106.646 -18.686 -2.723 1.00 0.00 H new ATOM 1212 N PHE A 73 110.191 -15.893 4.348 1.00 0.00 N ATOM 1213 CA PHE A 73 110.706 -15.389 5.659 1.00 0.00 C ATOM 1214 C PHE A 73 110.198 -13.968 5.923 1.00 0.00 C ATOM 1215 O PHE A 73 109.855 -13.248 5.004 1.00 0.00 O ATOM 1216 CB PHE A 73 112.233 -15.400 5.542 1.00 0.00 C ATOM 1217 CG PHE A 73 112.817 -16.787 5.409 1.00 0.00 C ATOM 1218 CD1 PHE A 73 113.042 -17.583 6.574 1.00 0.00 C ATOM 1219 CD2 PHE A 73 113.148 -17.302 4.117 1.00 0.00 C ATOM 1220 CE1 PHE A 73 113.595 -18.895 6.447 1.00 0.00 C ATOM 1221 CE2 PHE A 73 113.702 -18.612 3.991 1.00 0.00 C ATOM 1222 CZ PHE A 73 113.926 -19.410 5.155 1.00 0.00 C ATOM 0 H PHE A 73 110.821 -15.752 3.559 1.00 0.00 H new ATOM 0 HA PHE A 73 110.365 -16.009 6.488 1.00 0.00 H new ATOM 0 HB2 PHE A 73 112.528 -14.806 4.677 1.00 0.00 H new ATOM 0 HB3 PHE A 73 112.660 -14.917 6.421 1.00 0.00 H new ATOM 0 HD1 PHE A 73 112.794 -17.193 7.550 1.00 0.00 H new ATOM 0 HD2 PHE A 73 112.979 -16.700 3.236 1.00 0.00 H new ATOM 0 HE1 PHE A 73 113.763 -19.498 7.327 1.00 0.00 H new ATOM 0 HE2 PHE A 73 113.952 -19.000 3.015 1.00 0.00 H new ATOM 0 HZ PHE A 73 114.345 -20.401 5.059 1.00 0.00 H new ATOM 1232 N GLY A 74 110.155 -13.577 7.178 1.00 0.00 N ATOM 1233 CA GLY A 74 109.622 -12.235 7.563 1.00 0.00 C ATOM 1234 C GLY A 74 110.537 -11.132 7.027 1.00 0.00 C ATOM 1235 O GLY A 74 111.674 -11.386 6.668 1.00 0.00 O ATOM 0 H GLY A 74 110.474 -14.145 7.963 1.00 0.00 H new ATOM 0 HA2 GLY A 74 108.615 -12.108 7.166 1.00 0.00 H new ATOM 0 HA3 GLY A 74 109.549 -12.162 8.648 1.00 0.00 H new ATOM 1239 N VAL A 75 110.039 -9.919 6.979 1.00 0.00 N ATOM 1240 CA VAL A 75 110.809 -8.792 6.362 1.00 0.00 C ATOM 1241 C VAL A 75 110.644 -7.515 7.193 1.00 0.00 C ATOM 1242 O VAL A 75 109.668 -7.363 7.905 1.00 0.00 O ATOM 1243 CB VAL A 75 110.251 -8.605 4.939 1.00 0.00 C ATOM 1244 CG1 VAL A 75 110.522 -9.864 4.112 1.00 0.00 C ATOM 1245 CG2 VAL A 75 108.740 -8.334 4.958 1.00 0.00 C ATOM 0 H VAL A 75 109.123 -9.659 7.345 1.00 0.00 H new ATOM 0 HA VAL A 75 111.876 -9.011 6.329 1.00 0.00 H new ATOM 0 HB VAL A 75 110.750 -7.744 4.495 1.00 0.00 H new ATOM 0 HG11 VAL A 75 110.126 -9.730 3.105 1.00 0.00 H new ATOM 0 HG12 VAL A 75 111.596 -10.040 4.059 1.00 0.00 H new ATOM 0 HG13 VAL A 75 110.036 -10.719 4.582 1.00 0.00 H new ATOM 0 HG21 VAL A 75 108.380 -8.207 3.937 1.00 0.00 H new ATOM 0 HG22 VAL A 75 108.225 -9.175 5.422 1.00 0.00 H new ATOM 0 HG23 VAL A 75 108.540 -7.427 5.528 1.00 0.00 H new ATOM 1255 N LYS A 76 111.594 -6.614 7.098 1.00 0.00 N ATOM 1256 CA LYS A 76 111.483 -5.294 7.791 1.00 0.00 C ATOM 1257 C LYS A 76 111.390 -4.175 6.750 1.00 0.00 C ATOM 1258 O LYS A 76 112.109 -4.191 5.766 1.00 0.00 O ATOM 1259 CB LYS A 76 112.773 -5.156 8.606 1.00 0.00 C ATOM 1260 CG LYS A 76 112.813 -6.219 9.707 1.00 0.00 C ATOM 1261 CD LYS A 76 114.005 -5.955 10.631 1.00 0.00 C ATOM 1262 CE LYS A 76 115.306 -6.304 9.904 1.00 0.00 C ATOM 1263 NZ LYS A 76 116.389 -5.929 10.856 1.00 0.00 N ATOM 0 H LYS A 76 112.452 -6.741 6.562 1.00 0.00 H new ATOM 0 HA LYS A 76 110.598 -5.230 8.424 1.00 0.00 H new ATOM 0 HB2 LYS A 76 113.639 -5.264 7.953 1.00 0.00 H new ATOM 0 HB3 LYS A 76 112.829 -4.161 9.048 1.00 0.00 H new ATOM 0 HG2 LYS A 76 111.885 -6.200 10.279 1.00 0.00 H new ATOM 0 HG3 LYS A 76 112.895 -7.212 9.265 1.00 0.00 H new ATOM 0 HD2 LYS A 76 114.017 -4.909 10.936 1.00 0.00 H new ATOM 0 HD3 LYS A 76 113.913 -6.551 11.539 1.00 0.00 H new ATOM 0 HE2 LYS A 76 115.348 -7.365 9.656 1.00 0.00 H new ATOM 0 HE3 LYS A 76 115.395 -5.754 8.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 117.181 -5.505 10.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 116.023 -5.242 11.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 116.720 -6.778 11.357 1.00 0.00 H new ATOM 1277 N VAL A 77 110.516 -3.218 6.966 1.00 0.00 N ATOM 1278 CA VAL A 77 110.304 -2.123 5.964 1.00 0.00 C ATOM 1279 C VAL A 77 110.275 -0.772 6.689 1.00 0.00 C ATOM 1280 O VAL A 77 109.724 -0.664 7.771 1.00 0.00 O ATOM 1281 CB VAL A 77 108.954 -2.424 5.285 1.00 0.00 C ATOM 1282 CG1 VAL A 77 108.653 -1.379 4.205 1.00 0.00 C ATOM 1283 CG2 VAL A 77 108.985 -3.804 4.615 1.00 0.00 C ATOM 0 H VAL A 77 109.935 -3.149 7.802 1.00 0.00 H new ATOM 0 HA VAL A 77 111.102 -2.076 5.223 1.00 0.00 H new ATOM 0 HB VAL A 77 108.184 -2.400 6.056 1.00 0.00 H new ATOM 0 HG11 VAL A 77 107.696 -1.606 3.735 1.00 0.00 H new ATOM 0 HG12 VAL A 77 108.608 -0.389 4.659 1.00 0.00 H new ATOM 0 HG13 VAL A 77 109.440 -1.397 3.451 1.00 0.00 H new ATOM 0 HG21 VAL A 77 108.023 -4.000 4.141 1.00 0.00 H new ATOM 0 HG22 VAL A 77 109.772 -3.825 3.862 1.00 0.00 H new ATOM 0 HG23 VAL A 77 109.181 -4.569 5.366 1.00 0.00 H new ATOM 1293 N LEU A 78 110.862 0.243 6.096 1.00 0.00 N ATOM 1294 CA LEU A 78 110.845 1.610 6.704 1.00 0.00 C ATOM 1295 C LEU A 78 110.557 2.669 5.620 1.00 0.00 C ATOM 1296 O LEU A 78 111.265 2.696 4.630 1.00 0.00 O ATOM 1297 CB LEU A 78 112.256 1.778 7.279 1.00 0.00 C ATOM 1298 CG LEU A 78 112.382 3.102 8.041 1.00 0.00 C ATOM 1299 CD1 LEU A 78 111.531 3.065 9.312 1.00 0.00 C ATOM 1300 CD2 LEU A 78 113.846 3.308 8.431 1.00 0.00 C ATOM 0 H LEU A 78 111.357 0.179 5.207 1.00 0.00 H new ATOM 0 HA LEU A 78 110.073 1.732 7.464 1.00 0.00 H new ATOM 0 HB2 LEU A 78 112.482 0.947 7.947 1.00 0.00 H new ATOM 0 HB3 LEU A 78 112.988 1.747 6.472 1.00 0.00 H new ATOM 0 HG LEU A 78 112.037 3.917 7.404 1.00 0.00 H new ATOM 0 HD11 LEU A 78 111.630 4.011 9.844 1.00 0.00 H new ATOM 0 HD12 LEU A 78 110.486 2.906 9.046 1.00 0.00 H new ATOM 0 HD13 LEU A 78 111.870 2.252 9.953 1.00 0.00 H new ATOM 0 HD21 LEU A 78 113.949 4.247 8.974 1.00 0.00 H new ATOM 0 HD22 LEU A 78 114.173 2.484 9.065 1.00 0.00 H new ATOM 0 HD23 LEU A 78 114.461 3.340 7.532 1.00 0.00 H new ATOM 1312 N PRO A 79 109.547 3.508 5.810 1.00 0.00 N ATOM 1313 CA PRO A 79 109.243 4.589 4.814 1.00 0.00 C ATOM 1314 C PRO A 79 110.398 5.593 4.706 1.00 0.00 C ATOM 1315 O PRO A 79 111.113 5.824 5.665 1.00 0.00 O ATOM 1316 CB PRO A 79 107.997 5.266 5.395 1.00 0.00 C ATOM 1317 CG PRO A 79 107.398 4.219 6.265 1.00 0.00 C ATOM 1318 CD PRO A 79 108.572 3.560 6.920 1.00 0.00 C ATOM 0 HA PRO A 79 109.096 4.199 3.807 1.00 0.00 H new ATOM 0 HB2 PRO A 79 108.255 6.159 5.964 1.00 0.00 H new ATOM 0 HB3 PRO A 79 107.308 5.576 4.610 1.00 0.00 H new ATOM 0 HG2 PRO A 79 106.724 4.654 7.003 1.00 0.00 H new ATOM 0 HG3 PRO A 79 106.815 3.505 5.683 1.00 0.00 H new ATOM 0 HD2 PRO A 79 108.946 4.137 7.766 1.00 0.00 H new ATOM 0 HD3 PRO A 79 108.326 2.567 7.296 1.00 0.00 H new ATOM 1326 N ILE A 80 110.572 6.181 3.544 1.00 0.00 N ATOM 1327 CA ILE A 80 111.540 7.313 3.378 1.00 0.00 C ATOM 1328 C ILE A 80 110.969 8.366 2.419 1.00 0.00 C ATOM 1329 O ILE A 80 109.964 8.137 1.771 1.00 0.00 O ATOM 1330 CB ILE A 80 112.839 6.706 2.814 1.00 0.00 C ATOM 1331 CG1 ILE A 80 112.583 5.992 1.474 1.00 0.00 C ATOM 1332 CG2 ILE A 80 113.422 5.713 3.825 1.00 0.00 C ATOM 1333 CD1 ILE A 80 113.914 5.627 0.810 1.00 0.00 C ATOM 0 H ILE A 80 110.076 5.920 2.692 1.00 0.00 H new ATOM 0 HA ILE A 80 111.729 7.813 4.328 1.00 0.00 H new ATOM 0 HB ILE A 80 113.548 7.515 2.639 1.00 0.00 H new ATOM 0 HG12 ILE A 80 111.991 5.092 1.640 1.00 0.00 H new ATOM 0 HG13 ILE A 80 112.003 6.637 0.814 1.00 0.00 H new ATOM 0 HG21 ILE A 80 114.341 5.284 3.425 1.00 0.00 H new ATOM 0 HG22 ILE A 80 113.640 6.231 4.759 1.00 0.00 H new ATOM 0 HG23 ILE A 80 112.701 4.917 4.011 1.00 0.00 H new ATOM 0 HD11 ILE A 80 113.722 5.122 -0.137 1.00 0.00 H new ATOM 0 HD12 ILE A 80 114.490 6.534 0.628 1.00 0.00 H new ATOM 0 HD13 ILE A 80 114.478 4.964 1.466 1.00 0.00 H new ATOM 1345 N LYS A 81 111.614 9.505 2.335 1.00 0.00 N ATOM 1346 CA LYS A 81 111.313 10.485 1.247 1.00 0.00 C ATOM 1347 C LYS A 81 112.531 10.605 0.328 1.00 0.00 C ATOM 1348 O LYS A 81 113.641 10.767 0.799 1.00 0.00 O ATOM 1349 CB LYS A 81 111.042 11.813 1.959 1.00 0.00 C ATOM 1350 CG LYS A 81 109.760 11.706 2.788 1.00 0.00 C ATOM 1351 CD LYS A 81 108.545 11.729 1.858 1.00 0.00 C ATOM 1352 CE LYS A 81 107.265 11.887 2.685 1.00 0.00 C ATOM 1353 NZ LYS A 81 106.311 12.599 1.790 1.00 0.00 N ATOM 0 H LYS A 81 112.345 9.799 2.983 1.00 0.00 H new ATOM 0 HA LYS A 81 110.464 10.184 0.634 1.00 0.00 H new ATOM 0 HB2 LYS A 81 111.883 12.068 2.604 1.00 0.00 H new ATOM 0 HB3 LYS A 81 110.947 12.615 1.227 1.00 0.00 H new ATOM 0 HG2 LYS A 81 109.767 10.785 3.371 1.00 0.00 H new ATOM 0 HG3 LYS A 81 109.704 12.532 3.497 1.00 0.00 H new ATOM 0 HD2 LYS A 81 108.634 12.551 1.148 1.00 0.00 H new ATOM 0 HD3 LYS A 81 108.502 10.808 1.276 1.00 0.00 H new ATOM 0 HE2 LYS A 81 106.871 10.918 2.990 1.00 0.00 H new ATOM 0 HE3 LYS A 81 107.452 12.457 3.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 105.591 13.082 2.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 106.827 13.300 1.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 105.849 11.913 1.159 1.00 0.00 H new ATOM 1367 N ILE A 82 112.324 10.528 -0.966 1.00 0.00 N ATOM 1368 CA ILE A 82 113.467 10.529 -1.934 1.00 0.00 C ATOM 1369 C ILE A 82 113.512 11.888 -2.641 1.00 0.00 C ATOM 1370 O ILE A 82 112.541 12.298 -3.252 1.00 0.00 O ATOM 1371 CB ILE A 82 113.183 9.384 -2.927 1.00 0.00 C ATOM 1372 CG1 ILE A 82 113.095 8.042 -2.187 1.00 0.00 C ATOM 1373 CG2 ILE A 82 114.309 9.285 -3.963 1.00 0.00 C ATOM 1374 CD1 ILE A 82 112.464 6.989 -3.102 1.00 0.00 C ATOM 0 H ILE A 82 111.402 10.464 -1.397 1.00 0.00 H new ATOM 0 HA ILE A 82 114.433 10.378 -1.451 1.00 0.00 H new ATOM 0 HB ILE A 82 112.236 9.600 -3.422 1.00 0.00 H new ATOM 0 HG12 ILE A 82 114.089 7.720 -1.878 1.00 0.00 H new ATOM 0 HG13 ILE A 82 112.500 8.154 -1.281 1.00 0.00 H new ATOM 0 HG21 ILE A 82 114.094 8.472 -4.657 1.00 0.00 H new ATOM 0 HG22 ILE A 82 114.380 10.223 -4.514 1.00 0.00 H new ATOM 0 HG23 ILE A 82 115.254 9.089 -3.456 1.00 0.00 H new ATOM 0 HD11 ILE A 82 112.403 6.038 -2.574 1.00 0.00 H new ATOM 0 HD12 ILE A 82 111.463 7.310 -3.389 1.00 0.00 H new ATOM 0 HD13 ILE A 82 113.077 6.869 -3.996 1.00 0.00 H new ATOM 1386 N LEU A 83 114.631 12.571 -2.554 1.00 0.00 N ATOM 1387 CA LEU A 83 114.765 13.923 -3.178 1.00 0.00 C ATOM 1388 C LEU A 83 115.672 13.851 -4.410 1.00 0.00 C ATOM 1389 O LEU A 83 116.842 13.529 -4.302 1.00 0.00 O ATOM 1390 CB LEU A 83 115.404 14.804 -2.100 1.00 0.00 C ATOM 1391 CG LEU A 83 114.445 14.965 -0.915 1.00 0.00 C ATOM 1392 CD1 LEU A 83 115.187 15.615 0.254 1.00 0.00 C ATOM 1393 CD2 LEU A 83 113.268 15.854 -1.324 1.00 0.00 C ATOM 0 H LEU A 83 115.466 12.242 -2.070 1.00 0.00 H new ATOM 0 HA LEU A 83 113.804 14.316 -3.509 1.00 0.00 H new ATOM 0 HB2 LEU A 83 116.340 14.358 -1.763 1.00 0.00 H new ATOM 0 HB3 LEU A 83 115.648 15.782 -2.516 1.00 0.00 H new ATOM 0 HG LEU A 83 114.073 13.985 -0.615 1.00 0.00 H new ATOM 0 HD11 LEU A 83 114.507 15.730 1.098 1.00 0.00 H new ATOM 0 HD12 LEU A 83 116.026 14.984 0.548 1.00 0.00 H new ATOM 0 HD13 LEU A 83 115.558 16.594 -0.050 1.00 0.00 H new ATOM 0 HD21 LEU A 83 112.587 15.967 -0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 83 113.639 16.834 -1.625 1.00 0.00 H new ATOM 0 HD23 LEU A 83 112.738 15.395 -2.159 1.00 0.00 H new ATOM 1405 N ILE A 84 115.129 14.147 -5.570 1.00 0.00 N ATOM 1406 CA ILE A 84 115.945 14.185 -6.824 1.00 0.00 C ATOM 1407 C ILE A 84 115.659 15.509 -7.542 1.00 0.00 C ATOM 1408 O ILE A 84 114.523 15.802 -7.869 1.00 0.00 O ATOM 1409 CB ILE A 84 115.490 12.976 -7.667 1.00 0.00 C ATOM 1410 CG1 ILE A 84 115.732 11.668 -6.900 1.00 0.00 C ATOM 1411 CG2 ILE A 84 116.282 12.915 -8.980 1.00 0.00 C ATOM 1412 CD1 ILE A 84 114.966 10.527 -7.573 1.00 0.00 C ATOM 0 H ILE A 84 114.141 14.366 -5.700 1.00 0.00 H new ATOM 0 HA ILE A 84 117.018 14.128 -6.639 1.00 0.00 H new ATOM 0 HB ILE A 84 114.427 13.094 -7.876 1.00 0.00 H new ATOM 0 HG12 ILE A 84 116.798 11.440 -6.877 1.00 0.00 H new ATOM 0 HG13 ILE A 84 115.407 11.776 -5.865 1.00 0.00 H new ATOM 0 HG21 ILE A 84 115.951 12.057 -9.565 1.00 0.00 H new ATOM 0 HG22 ILE A 84 116.114 13.829 -9.549 1.00 0.00 H new ATOM 0 HG23 ILE A 84 117.345 12.815 -8.760 1.00 0.00 H new ATOM 0 HD11 ILE A 84 115.140 9.600 -7.026 1.00 0.00 H new ATOM 0 HD12 ILE A 84 113.900 10.754 -7.572 1.00 0.00 H new ATOM 0 HD13 ILE A 84 115.312 10.413 -8.600 1.00 0.00 H new ATOM 1424 N GLY A 85 116.681 16.302 -7.780 1.00 0.00 N ATOM 1425 CA GLY A 85 116.499 17.627 -8.455 1.00 0.00 C ATOM 1426 C GLY A 85 115.650 18.552 -7.574 1.00 0.00 C ATOM 1427 O GLY A 85 116.028 18.862 -6.458 1.00 0.00 O ATOM 0 H GLY A 85 117.645 16.082 -7.531 1.00 0.00 H new ATOM 0 HA2 GLY A 85 117.470 18.084 -8.646 1.00 0.00 H new ATOM 0 HA3 GLY A 85 116.016 17.488 -9.422 1.00 0.00 H new ATOM 1431 N ASN A 86 114.517 18.986 -8.079 1.00 0.00 N ATOM 1432 CA ASN A 86 113.579 19.827 -7.271 1.00 0.00 C ATOM 1433 C ASN A 86 112.284 19.072 -6.929 1.00 0.00 C ATOM 1434 O ASN A 86 111.304 19.693 -6.558 1.00 0.00 O ATOM 1435 CB ASN A 86 113.269 21.029 -8.164 1.00 0.00 C ATOM 1436 CG ASN A 86 114.518 21.903 -8.297 1.00 0.00 C ATOM 1437 OD1 ASN A 86 115.427 21.575 -9.033 1.00 0.00 O ATOM 1438 ND2 ASN A 86 114.600 23.009 -7.611 1.00 0.00 N ATOM 0 H ASN A 86 114.201 18.790 -9.029 1.00 0.00 H new ATOM 0 HA ASN A 86 114.022 20.110 -6.316 1.00 0.00 H new ATOM 0 HB2 ASN A 86 112.943 20.690 -9.147 1.00 0.00 H new ATOM 0 HB3 ASN A 86 112.450 21.609 -7.739 1.00 0.00 H new ATOM 0 HD21 ASN A 86 115.428 23.599 -7.692 1.00 0.00 H new ATOM 0 HD22 ASN A 86 113.836 23.284 -6.993 1.00 0.00 H new ATOM 1445 N LYS A 87 112.269 17.760 -7.049 1.00 0.00 N ATOM 1446 CA LYS A 87 111.011 16.978 -6.840 1.00 0.00 C ATOM 1447 C LYS A 87 111.189 15.969 -5.702 1.00 0.00 C ATOM 1448 O LYS A 87 112.255 15.401 -5.540 1.00 0.00 O ATOM 1449 CB LYS A 87 110.772 16.249 -8.164 1.00 0.00 C ATOM 1450 CG LYS A 87 110.434 17.265 -9.258 1.00 0.00 C ATOM 1451 CD LYS A 87 110.103 16.527 -10.556 1.00 0.00 C ATOM 1452 CE LYS A 87 109.899 17.542 -11.683 1.00 0.00 C ATOM 1453 NZ LYS A 87 108.486 17.994 -11.542 1.00 0.00 N ATOM 0 H LYS A 87 113.086 17.197 -7.285 1.00 0.00 H new ATOM 0 HA LYS A 87 110.173 17.619 -6.566 1.00 0.00 H new ATOM 0 HB2 LYS A 87 111.660 15.681 -8.443 1.00 0.00 H new ATOM 0 HB3 LYS A 87 109.957 15.533 -8.054 1.00 0.00 H new ATOM 0 HG2 LYS A 87 109.587 17.878 -8.950 1.00 0.00 H new ATOM 0 HG3 LYS A 87 111.276 17.939 -9.415 1.00 0.00 H new ATOM 0 HD2 LYS A 87 110.910 15.840 -10.812 1.00 0.00 H new ATOM 0 HD3 LYS A 87 109.203 15.926 -10.426 1.00 0.00 H new ATOM 0 HE2 LYS A 87 110.592 18.378 -11.592 1.00 0.00 H new ATOM 0 HE3 LYS A 87 110.073 17.089 -12.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 108.254 18.654 -12.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 107.852 17.171 -11.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 108.364 18.473 -10.627 1.00 0.00 H new ATOM 1467 N LYS A 88 110.152 15.750 -4.925 1.00 0.00 N ATOM 1468 CA LYS A 88 110.206 14.744 -3.816 1.00 0.00 C ATOM 1469 C LYS A 88 109.095 13.701 -3.990 1.00 0.00 C ATOM 1470 O LYS A 88 107.942 14.047 -4.175 1.00 0.00 O ATOM 1471 CB LYS A 88 110.047 15.540 -2.509 1.00 0.00 C ATOM 1472 CG LYS A 88 108.716 16.303 -2.463 1.00 0.00 C ATOM 1473 CD LYS A 88 108.640 17.113 -1.167 1.00 0.00 C ATOM 1474 CE LYS A 88 107.213 17.629 -0.968 1.00 0.00 C ATOM 1475 NZ LYS A 88 107.066 18.739 -1.950 1.00 0.00 N ATOM 0 H LYS A 88 109.258 16.233 -5.015 1.00 0.00 H new ATOM 0 HA LYS A 88 111.145 14.191 -3.812 1.00 0.00 H new ATOM 0 HB2 LYS A 88 110.105 14.859 -1.660 1.00 0.00 H new ATOM 0 HB3 LYS A 88 110.873 16.244 -2.410 1.00 0.00 H new ATOM 0 HG2 LYS A 88 108.634 16.966 -3.325 1.00 0.00 H new ATOM 0 HG3 LYS A 88 107.881 15.604 -2.518 1.00 0.00 H new ATOM 0 HD2 LYS A 88 108.935 16.493 -0.321 1.00 0.00 H new ATOM 0 HD3 LYS A 88 109.338 17.949 -1.207 1.00 0.00 H new ATOM 0 HE2 LYS A 88 106.480 16.843 -1.148 1.00 0.00 H new ATOM 0 HE3 LYS A 88 107.059 17.981 0.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 106.835 19.619 -1.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 107.957 18.861 -2.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 106.302 18.512 -2.618 1.00 0.00 H new ATOM 1489 N ILE A 89 109.450 12.438 -3.932 1.00 0.00 N ATOM 1490 CA ILE A 89 108.443 11.339 -4.091 1.00 0.00 C ATOM 1491 C ILE A 89 108.541 10.397 -2.882 1.00 0.00 C ATOM 1492 O ILE A 89 109.614 10.198 -2.343 1.00 0.00 O ATOM 1493 CB ILE A 89 108.810 10.616 -5.403 1.00 0.00 C ATOM 1494 CG1 ILE A 89 108.746 11.589 -6.586 1.00 0.00 C ATOM 1495 CG2 ILE A 89 107.828 9.468 -5.673 1.00 0.00 C ATOM 1496 CD1 ILE A 89 109.453 10.975 -7.797 1.00 0.00 C ATOM 0 H ILE A 89 110.407 12.119 -3.779 1.00 0.00 H new ATOM 0 HA ILE A 89 107.418 11.707 -4.136 1.00 0.00 H new ATOM 0 HB ILE A 89 109.822 10.225 -5.296 1.00 0.00 H new ATOM 0 HG12 ILE A 89 107.707 11.810 -6.832 1.00 0.00 H new ATOM 0 HG13 ILE A 89 109.218 12.534 -6.318 1.00 0.00 H new ATOM 0 HG21 ILE A 89 108.100 8.967 -6.602 1.00 0.00 H new ATOM 0 HG22 ILE A 89 107.868 8.754 -4.851 1.00 0.00 H new ATOM 0 HG23 ILE A 89 106.817 9.866 -5.758 1.00 0.00 H new ATOM 0 HD11 ILE A 89 109.406 11.669 -8.636 1.00 0.00 H new ATOM 0 HD12 ILE A 89 110.496 10.777 -7.548 1.00 0.00 H new ATOM 0 HD13 ILE A 89 108.962 10.041 -8.070 1.00 0.00 H new ATOM 1508 N ASP A 90 107.429 9.832 -2.467 1.00 0.00 N ATOM 1509 CA ASP A 90 107.438 8.863 -1.322 1.00 0.00 C ATOM 1510 C ASP A 90 108.045 7.531 -1.771 1.00 0.00 C ATOM 1511 O ASP A 90 107.736 7.043 -2.844 1.00 0.00 O ATOM 1512 CB ASP A 90 105.974 8.666 -0.913 1.00 0.00 C ATOM 1513 CG ASP A 90 105.411 9.978 -0.365 1.00 0.00 C ATOM 1514 OD1 ASP A 90 104.886 10.748 -1.151 1.00 0.00 O ATOM 1515 OD2 ASP A 90 105.516 10.191 0.832 1.00 0.00 O ATOM 0 H ASP A 90 106.510 10.002 -2.876 1.00 0.00 H new ATOM 0 HA ASP A 90 108.034 9.235 -0.489 1.00 0.00 H new ATOM 0 HB2 ASP A 90 105.388 8.338 -1.771 1.00 0.00 H new ATOM 0 HB3 ASP A 90 105.899 7.883 -0.158 1.00 0.00 H new ATOM 1520 N GLY A 91 108.899 6.954 -0.956 1.00 0.00 N ATOM 1521 CA GLY A 91 109.504 5.627 -1.282 1.00 0.00 C ATOM 1522 C GLY A 91 109.688 4.829 0.009 1.00 0.00 C ATOM 1523 O GLY A 91 109.175 5.208 1.046 1.00 0.00 O ATOM 0 H GLY A 91 109.204 7.354 -0.069 1.00 0.00 H new ATOM 0 HA2 GLY A 91 108.862 5.081 -1.973 1.00 0.00 H new ATOM 0 HA3 GLY A 91 110.464 5.764 -1.779 1.00 0.00 H new ATOM 1527 N ALA A 92 110.416 3.736 -0.056 1.00 0.00 N ATOM 1528 CA ALA A 92 110.654 2.895 1.157 1.00 0.00 C ATOM 1529 C ALA A 92 111.891 2.014 0.958 1.00 0.00 C ATOM 1530 O ALA A 92 112.254 1.706 -0.161 1.00 0.00 O ATOM 1531 CB ALA A 92 109.394 2.040 1.302 1.00 0.00 C ATOM 0 H ALA A 92 110.858 3.390 -0.908 1.00 0.00 H new ATOM 0 HA ALA A 92 110.838 3.496 2.047 1.00 0.00 H new ATOM 0 HB1 ALA A 92 109.492 1.393 2.174 1.00 0.00 H new ATOM 0 HB2 ALA A 92 108.527 2.688 1.427 1.00 0.00 H new ATOM 0 HB3 ALA A 92 109.264 1.429 0.409 1.00 0.00 H new ATOM 1537 N ILE A 93 112.523 1.617 2.038 1.00 0.00 N ATOM 1538 CA ILE A 93 113.717 0.719 1.953 1.00 0.00 C ATOM 1539 C ILE A 93 113.318 -0.670 2.465 1.00 0.00 C ATOM 1540 O ILE A 93 112.567 -0.782 3.419 1.00 0.00 O ATOM 1541 CB ILE A 93 114.798 1.347 2.856 1.00 0.00 C ATOM 1542 CG1 ILE A 93 115.132 2.772 2.396 1.00 0.00 C ATOM 1543 CG2 ILE A 93 116.085 0.514 2.800 1.00 0.00 C ATOM 1544 CD1 ILE A 93 115.905 3.497 3.501 1.00 0.00 C ATOM 0 H ILE A 93 112.257 1.881 2.987 1.00 0.00 H new ATOM 0 HA ILE A 93 114.090 0.613 0.934 1.00 0.00 H new ATOM 0 HB ILE A 93 114.406 1.371 3.873 1.00 0.00 H new ATOM 0 HG12 ILE A 93 115.726 2.741 1.482 1.00 0.00 H new ATOM 0 HG13 ILE A 93 114.216 3.314 2.162 1.00 0.00 H new ATOM 0 HG21 ILE A 93 116.840 0.968 3.442 1.00 0.00 H new ATOM 0 HG22 ILE A 93 115.878 -0.499 3.144 1.00 0.00 H new ATOM 0 HG23 ILE A 93 116.453 0.481 1.774 1.00 0.00 H new ATOM 0 HD11 ILE A 93 116.143 4.509 3.175 1.00 0.00 H new ATOM 0 HD12 ILE A 93 115.295 3.540 4.403 1.00 0.00 H new ATOM 0 HD13 ILE A 93 116.828 2.958 3.713 1.00 0.00 H new ATOM 1556 N VAL A 94 113.819 -1.709 1.836 1.00 0.00 N ATOM 1557 CA VAL A 94 113.419 -3.106 2.203 1.00 0.00 C ATOM 1558 C VAL A 94 114.665 -3.896 2.628 1.00 0.00 C ATOM 1559 O VAL A 94 115.677 -3.870 1.949 1.00 0.00 O ATOM 1560 CB VAL A 94 112.776 -3.708 0.938 1.00 0.00 C ATOM 1561 CG1 VAL A 94 112.297 -5.139 1.208 1.00 0.00 C ATOM 1562 CG2 VAL A 94 111.564 -2.875 0.504 1.00 0.00 C ATOM 0 H VAL A 94 114.496 -1.647 1.075 1.00 0.00 H new ATOM 0 HA VAL A 94 112.719 -3.135 3.038 1.00 0.00 H new ATOM 0 HB VAL A 94 113.531 -3.708 0.152 1.00 0.00 H new ATOM 0 HG11 VAL A 94 111.846 -5.548 0.304 1.00 0.00 H new ATOM 0 HG12 VAL A 94 113.145 -5.757 1.502 1.00 0.00 H new ATOM 0 HG13 VAL A 94 111.559 -5.130 2.010 1.00 0.00 H new ATOM 0 HG21 VAL A 94 111.122 -3.314 -0.390 1.00 0.00 H new ATOM 0 HG22 VAL A 94 110.825 -2.863 1.305 1.00 0.00 H new ATOM 0 HG23 VAL A 94 111.882 -1.855 0.288 1.00 0.00 H new ATOM 1572 N VAL A 95 114.583 -4.589 3.741 1.00 0.00 N ATOM 1573 CA VAL A 95 115.704 -5.470 4.196 1.00 0.00 C ATOM 1574 C VAL A 95 115.105 -6.742 4.828 1.00 0.00 C ATOM 1575 O VAL A 95 114.195 -6.624 5.626 1.00 0.00 O ATOM 1576 CB VAL A 95 116.490 -4.644 5.233 1.00 0.00 C ATOM 1577 CG1 VAL A 95 117.676 -5.452 5.774 1.00 0.00 C ATOM 1578 CG2 VAL A 95 117.039 -3.364 4.589 1.00 0.00 C ATOM 0 H VAL A 95 113.773 -4.580 4.361 1.00 0.00 H new ATOM 0 HA VAL A 95 116.359 -5.783 3.383 1.00 0.00 H new ATOM 0 HB VAL A 95 115.808 -4.393 6.045 1.00 0.00 H new ATOM 0 HG11 VAL A 95 118.220 -4.854 6.505 1.00 0.00 H new ATOM 0 HG12 VAL A 95 117.310 -6.362 6.250 1.00 0.00 H new ATOM 0 HG13 VAL A 95 118.342 -5.715 4.952 1.00 0.00 H new ATOM 0 HG21 VAL A 95 117.592 -2.791 5.333 1.00 0.00 H new ATOM 0 HG22 VAL A 95 117.704 -3.627 3.766 1.00 0.00 H new ATOM 0 HG23 VAL A 95 116.212 -2.764 4.210 1.00 0.00 H new ATOM 1588 N PRO A 96 115.605 -7.920 4.474 1.00 0.00 N ATOM 1589 CA PRO A 96 115.091 -9.195 5.081 1.00 0.00 C ATOM 1590 C PRO A 96 115.222 -9.194 6.612 1.00 0.00 C ATOM 1591 O PRO A 96 116.053 -8.493 7.161 1.00 0.00 O ATOM 1592 CB PRO A 96 115.996 -10.265 4.468 1.00 0.00 C ATOM 1593 CG PRO A 96 116.428 -9.663 3.178 1.00 0.00 C ATOM 1594 CD PRO A 96 116.669 -8.216 3.491 1.00 0.00 C ATOM 0 HA PRO A 96 114.031 -9.351 4.882 1.00 0.00 H new ATOM 0 HB2 PRO A 96 116.847 -10.486 5.112 1.00 0.00 H new ATOM 0 HB3 PRO A 96 115.461 -11.202 4.314 1.00 0.00 H new ATOM 0 HG2 PRO A 96 117.332 -10.142 2.801 1.00 0.00 H new ATOM 0 HG3 PRO A 96 115.662 -9.779 2.411 1.00 0.00 H new ATOM 0 HD2 PRO A 96 117.663 -8.051 3.907 1.00 0.00 H new ATOM 0 HD3 PRO A 96 116.587 -7.589 2.603 1.00 0.00 H new ATOM 1602 N LYS A 97 114.405 -9.975 7.286 1.00 0.00 N ATOM 1603 CA LYS A 97 114.452 -10.040 8.786 1.00 0.00 C ATOM 1604 C LYS A 97 115.792 -10.616 9.261 1.00 0.00 C ATOM 1605 O LYS A 97 116.300 -10.221 10.296 1.00 0.00 O ATOM 1606 CB LYS A 97 113.299 -10.958 9.214 1.00 0.00 C ATOM 1607 CG LYS A 97 113.113 -10.882 10.732 1.00 0.00 C ATOM 1608 CD LYS A 97 112.011 -11.853 11.158 1.00 0.00 C ATOM 1609 CE LYS A 97 111.790 -11.746 12.669 1.00 0.00 C ATOM 1610 NZ LYS A 97 112.822 -12.635 13.272 1.00 0.00 N ATOM 0 H LYS A 97 113.701 -10.575 6.856 1.00 0.00 H new ATOM 0 HA LYS A 97 114.355 -9.047 9.224 1.00 0.00 H new ATOM 0 HB2 LYS A 97 112.379 -10.661 8.710 1.00 0.00 H new ATOM 0 HB3 LYS A 97 113.509 -11.985 8.915 1.00 0.00 H new ATOM 0 HG2 LYS A 97 114.047 -11.130 11.237 1.00 0.00 H new ATOM 0 HG3 LYS A 97 112.852 -9.866 11.027 1.00 0.00 H new ATOM 0 HD2 LYS A 97 111.086 -11.625 10.628 1.00 0.00 H new ATOM 0 HD3 LYS A 97 112.288 -12.873 10.892 1.00 0.00 H new ATOM 0 HE2 LYS A 97 111.904 -10.718 13.013 1.00 0.00 H new ATOM 0 HE3 LYS A 97 110.785 -12.064 12.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 112.692 -12.668 14.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 112.727 -13.593 12.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 113.769 -12.265 13.054 1.00 0.00 H new ATOM 1624 N LYS A 98 116.353 -11.537 8.511 1.00 0.00 N ATOM 1625 CA LYS A 98 117.631 -12.199 8.926 1.00 0.00 C ATOM 1626 C LYS A 98 118.834 -11.407 8.405 1.00 0.00 C ATOM 1627 O LYS A 98 119.077 -11.362 7.212 1.00 0.00 O ATOM 1628 CB LYS A 98 117.598 -13.596 8.300 1.00 0.00 C ATOM 1629 CG LYS A 98 116.485 -14.422 8.947 1.00 0.00 C ATOM 1630 CD LYS A 98 116.536 -15.854 8.412 1.00 0.00 C ATOM 1631 CE LYS A 98 115.365 -16.655 8.986 1.00 0.00 C ATOM 1632 NZ LYS A 98 115.725 -18.082 8.753 1.00 0.00 N ATOM 0 H LYS A 98 115.975 -11.861 7.620 1.00 0.00 H new ATOM 0 HA LYS A 98 117.725 -12.248 10.011 1.00 0.00 H new ATOM 0 HB2 LYS A 98 117.431 -13.520 7.226 1.00 0.00 H new ATOM 0 HB3 LYS A 98 118.559 -14.091 8.439 1.00 0.00 H new ATOM 0 HG2 LYS A 98 116.601 -14.423 10.031 1.00 0.00 H new ATOM 0 HG3 LYS A 98 115.514 -13.976 8.731 1.00 0.00 H new ATOM 0 HD2 LYS A 98 116.488 -15.849 7.323 1.00 0.00 H new ATOM 0 HD3 LYS A 98 117.481 -16.323 8.687 1.00 0.00 H new ATOM 0 HE2 LYS A 98 115.229 -16.450 10.048 1.00 0.00 H new ATOM 0 HE3 LYS A 98 114.429 -16.398 8.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 115.124 -18.473 8.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 116.723 -18.146 8.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 115.580 -18.624 9.629 1.00 0.00 H new ATOM 1646 N THR A 99 119.575 -10.789 9.297 1.00 0.00 N ATOM 1647 CA THR A 99 120.802 -10.033 8.900 1.00 0.00 C ATOM 1648 C THR A 99 121.974 -10.425 9.806 1.00 0.00 C ATOM 1649 O THR A 99 121.822 -10.502 11.013 1.00 0.00 O ATOM 1650 CB THR A 99 120.439 -8.560 9.094 1.00 0.00 C ATOM 1651 OG1 THR A 99 119.207 -8.288 8.441 1.00 0.00 O ATOM 1652 CG2 THR A 99 121.539 -7.677 8.502 1.00 0.00 C ATOM 0 H THR A 99 119.376 -10.778 10.297 1.00 0.00 H new ATOM 0 HA THR A 99 121.108 -10.243 7.875 1.00 0.00 H new ATOM 0 HB THR A 99 120.341 -8.347 10.159 1.00 0.00 H new ATOM 0 HG1 THR A 99 118.972 -7.345 8.566 1.00 0.00 H new ATOM 0 HG21 THR A 99 121.278 -6.628 8.641 1.00 0.00 H new ATOM 0 HG22 THR A 99 122.483 -7.886 9.005 1.00 0.00 H new ATOM 0 HG23 THR A 99 121.641 -7.887 7.437 1.00 0.00 H new ATOM 1660 N TYR A 100 123.127 -10.668 9.227 1.00 0.00 N ATOM 1661 CA TYR A 100 124.324 -11.078 10.025 1.00 0.00 C ATOM 1662 C TYR A 100 125.212 -9.864 10.315 1.00 0.00 C ATOM 1663 O TYR A 100 125.502 -9.571 11.461 1.00 0.00 O ATOM 1664 CB TYR A 100 125.065 -12.087 9.147 1.00 0.00 C ATOM 1665 CG TYR A 100 126.211 -12.773 9.854 1.00 0.00 C ATOM 1666 CD1 TYR A 100 125.971 -13.955 10.622 1.00 0.00 C ATOM 1667 CD2 TYR A 100 127.534 -12.242 9.756 1.00 0.00 C ATOM 1668 CE1 TYR A 100 127.054 -14.605 11.291 1.00 0.00 C ATOM 1669 CE2 TYR A 100 128.617 -12.892 10.424 1.00 0.00 C ATOM 1670 CZ TYR A 100 128.377 -14.073 11.192 1.00 0.00 C ATOM 1671 OH TYR A 100 129.424 -14.700 11.839 1.00 0.00 O ATOM 0 H TYR A 100 123.290 -10.598 8.222 1.00 0.00 H new ATOM 0 HA TYR A 100 124.047 -11.505 10.989 1.00 0.00 H new ATOM 0 HB2 TYR A 100 124.359 -12.841 8.799 1.00 0.00 H new ATOM 0 HB3 TYR A 100 125.447 -11.576 8.263 1.00 0.00 H new ATOM 0 HD1 TYR A 100 124.971 -14.357 10.697 1.00 0.00 H new ATOM 0 HD2 TYR A 100 127.715 -11.349 9.177 1.00 0.00 H new ATOM 0 HE1 TYR A 100 126.873 -15.498 11.871 1.00 0.00 H new ATOM 0 HE2 TYR A 100 129.617 -12.491 10.349 1.00 0.00 H new ATOM 0 HH TYR A 100 130.255 -14.210 11.668 1.00 0.00 H new ATOM 1681 N HIS A 101 125.636 -9.170 9.282 1.00 0.00 N ATOM 1682 CA HIS A 101 126.534 -7.987 9.457 1.00 0.00 C ATOM 1683 C HIS A 101 125.890 -6.734 8.854 1.00 0.00 C ATOM 1684 O HIS A 101 124.789 -6.792 8.336 1.00 0.00 O ATOM 1685 CB HIS A 101 127.830 -8.347 8.718 1.00 0.00 C ATOM 1686 CG HIS A 101 127.649 -8.652 7.254 1.00 0.00 C ATOM 1687 ND1 HIS A 101 127.248 -9.898 6.801 1.00 0.00 N ATOM 1688 CD2 HIS A 101 127.812 -7.880 6.129 1.00 0.00 C ATOM 1689 CE1 HIS A 101 127.183 -9.843 5.459 1.00 0.00 C ATOM 1690 NE2 HIS A 101 127.516 -8.635 4.996 1.00 0.00 N ATOM 0 H HIS A 101 125.393 -9.379 8.314 1.00 0.00 H new ATOM 0 HA HIS A 101 126.721 -7.767 10.508 1.00 0.00 H new ATOM 0 HB2 HIS A 101 128.533 -7.520 8.820 1.00 0.00 H new ATOM 0 HB3 HIS A 101 128.282 -9.212 9.203 1.00 0.00 H new ATOM 0 HD2 HIS A 101 128.122 -6.846 6.124 1.00 0.00 H new ATOM 0 HE1 HIS A 101 126.896 -10.674 4.832 1.00 0.00 H new ATOM 0 HE2 HIS A 101 127.547 -8.331 4.023 1.00 0.00 H new ATOM 1698 N SER A 102 126.576 -5.615 8.924 1.00 0.00 N ATOM 1699 CA SER A 102 126.051 -4.343 8.340 1.00 0.00 C ATOM 1700 C SER A 102 126.787 -4.022 7.036 1.00 0.00 C ATOM 1701 O SER A 102 127.926 -4.416 6.857 1.00 0.00 O ATOM 1702 CB SER A 102 126.335 -3.274 9.396 1.00 0.00 C ATOM 1703 OG SER A 102 125.682 -3.626 10.608 1.00 0.00 O ATOM 0 H SER A 102 127.490 -5.532 9.368 1.00 0.00 H new ATOM 0 HA SER A 102 124.989 -4.403 8.100 1.00 0.00 H new ATOM 0 HB2 SER A 102 127.409 -3.185 9.561 1.00 0.00 H new ATOM 0 HB3 SER A 102 125.984 -2.302 9.050 1.00 0.00 H new ATOM 0 HG SER A 102 125.864 -2.944 11.288 1.00 0.00 H new ATOM 1709 N SER A 103 126.139 -3.312 6.140 1.00 0.00 N ATOM 1710 CA SER A 103 126.748 -3.001 4.810 1.00 0.00 C ATOM 1711 C SER A 103 126.534 -1.529 4.452 1.00 0.00 C ATOM 1712 O SER A 103 125.828 -0.817 5.145 1.00 0.00 O ATOM 1713 CB SER A 103 126.012 -3.897 3.815 1.00 0.00 C ATOM 1714 OG SER A 103 124.651 -3.493 3.736 1.00 0.00 O ATOM 0 H SER A 103 125.203 -2.931 6.278 1.00 0.00 H new ATOM 0 HA SER A 103 127.824 -3.176 4.806 1.00 0.00 H new ATOM 0 HB2 SER A 103 126.480 -3.831 2.833 1.00 0.00 H new ATOM 0 HB3 SER A 103 126.076 -4.939 4.129 1.00 0.00 H new ATOM 0 HG SER A 103 124.177 -4.065 3.097 1.00 0.00 H new ATOM 1720 N GLU A 104 127.144 -1.085 3.377 1.00 0.00 N ATOM 1721 CA GLU A 104 126.877 0.286 2.844 1.00 0.00 C ATOM 1722 C GLU A 104 126.013 0.221 1.577 1.00 0.00 C ATOM 1723 O GLU A 104 126.058 1.128 0.767 1.00 0.00 O ATOM 1724 CB GLU A 104 128.262 0.858 2.513 1.00 0.00 C ATOM 1725 CG GLU A 104 128.838 1.573 3.737 1.00 0.00 C ATOM 1726 CD GLU A 104 130.283 1.992 3.454 1.00 0.00 C ATOM 1727 OE1 GLU A 104 130.530 2.512 2.379 1.00 0.00 O ATOM 1728 OE2 GLU A 104 131.117 1.786 4.320 1.00 0.00 O ATOM 0 H GLU A 104 127.824 -1.624 2.841 1.00 0.00 H new ATOM 0 HA GLU A 104 126.334 0.901 3.562 1.00 0.00 H new ATOM 0 HB2 GLU A 104 128.931 0.056 2.202 1.00 0.00 H new ATOM 0 HB3 GLU A 104 128.187 1.553 1.677 1.00 0.00 H new ATOM 0 HG2 GLU A 104 128.235 2.449 3.976 1.00 0.00 H new ATOM 0 HG3 GLU A 104 128.803 0.915 4.605 1.00 0.00 H new ATOM 1735 N ILE A 105 125.238 -0.829 1.403 1.00 0.00 N ATOM 1736 CA ILE A 105 124.366 -0.956 0.190 1.00 0.00 C ATOM 1737 C ILE A 105 122.903 -1.078 0.636 1.00 0.00 C ATOM 1738 O ILE A 105 122.573 -1.923 1.450 1.00 0.00 O ATOM 1739 CB ILE A 105 124.833 -2.233 -0.541 1.00 0.00 C ATOM 1740 CG1 ILE A 105 126.339 -2.174 -0.882 1.00 0.00 C ATOM 1741 CG2 ILE A 105 124.027 -2.435 -1.834 1.00 0.00 C ATOM 1742 CD1 ILE A 105 126.682 -0.965 -1.765 1.00 0.00 C ATOM 0 H ILE A 105 125.174 -1.609 2.057 1.00 0.00 H new ATOM 0 HA ILE A 105 124.439 -0.091 -0.469 1.00 0.00 H new ATOM 0 HB ILE A 105 124.664 -3.073 0.133 1.00 0.00 H new ATOM 0 HG12 ILE A 105 126.918 -2.125 0.040 1.00 0.00 H new ATOM 0 HG13 ILE A 105 126.631 -3.091 -1.394 1.00 0.00 H new ATOM 0 HG21 ILE A 105 124.368 -3.339 -2.338 1.00 0.00 H new ATOM 0 HG22 ILE A 105 122.969 -2.532 -1.592 1.00 0.00 H new ATOM 0 HG23 ILE A 105 124.172 -1.577 -2.491 1.00 0.00 H new ATOM 0 HD11 ILE A 105 127.751 -0.963 -1.980 1.00 0.00 H new ATOM 0 HD12 ILE A 105 126.124 -1.027 -2.699 1.00 0.00 H new ATOM 0 HD13 ILE A 105 126.415 -0.046 -1.243 1.00 0.00 H new ATOM 1754 N ILE A 106 122.040 -0.241 0.105 1.00 0.00 N ATOM 1755 CA ILE A 106 120.581 -0.306 0.445 1.00 0.00 C ATOM 1756 C ILE A 106 119.742 -0.379 -0.837 1.00 0.00 C ATOM 1757 O ILE A 106 120.124 0.168 -1.856 1.00 0.00 O ATOM 1758 CB ILE A 106 120.260 0.968 1.247 1.00 0.00 C ATOM 1759 CG1 ILE A 106 120.616 2.236 0.454 1.00 0.00 C ATOM 1760 CG2 ILE A 106 121.048 0.961 2.559 1.00 0.00 C ATOM 1761 CD1 ILE A 106 119.972 3.454 1.119 1.00 0.00 C ATOM 0 H ILE A 106 122.289 0.493 -0.558 1.00 0.00 H new ATOM 0 HA ILE A 106 120.346 -1.195 1.030 1.00 0.00 H new ATOM 0 HB ILE A 106 119.189 0.976 1.448 1.00 0.00 H new ATOM 0 HG12 ILE A 106 121.698 2.360 0.414 1.00 0.00 H new ATOM 0 HG13 ILE A 106 120.268 2.144 -0.575 1.00 0.00 H new ATOM 0 HG21 ILE A 106 120.819 1.864 3.125 1.00 0.00 H new ATOM 0 HG22 ILE A 106 120.771 0.085 3.145 1.00 0.00 H new ATOM 0 HG23 ILE A 106 122.116 0.929 2.342 1.00 0.00 H new ATOM 0 HD11 ILE A 106 120.225 4.352 0.556 1.00 0.00 H new ATOM 0 HD12 ILE A 106 118.889 3.329 1.136 1.00 0.00 H new ATOM 0 HD13 ILE A 106 120.342 3.549 2.140 1.00 0.00 H new ATOM 1773 N GLU A 107 118.612 -1.047 -0.780 1.00 0.00 N ATOM 1774 CA GLU A 107 117.708 -1.145 -1.967 1.00 0.00 C ATOM 1775 C GLU A 107 116.366 -0.472 -1.668 1.00 0.00 C ATOM 1776 O GLU A 107 115.756 -0.729 -0.644 1.00 0.00 O ATOM 1777 CB GLU A 107 117.511 -2.642 -2.208 1.00 0.00 C ATOM 1778 CG GLU A 107 118.683 -3.187 -3.027 1.00 0.00 C ATOM 1779 CD GLU A 107 119.907 -3.364 -2.125 1.00 0.00 C ATOM 1780 OE1 GLU A 107 119.743 -3.866 -1.025 1.00 0.00 O ATOM 1781 OE2 GLU A 107 120.989 -2.995 -2.552 1.00 0.00 O ATOM 0 H GLU A 107 118.276 -1.534 0.051 1.00 0.00 H new ATOM 0 HA GLU A 107 118.129 -0.647 -2.840 1.00 0.00 H new ATOM 0 HB2 GLU A 107 117.443 -3.168 -1.256 1.00 0.00 H new ATOM 0 HB3 GLU A 107 116.573 -2.816 -2.736 1.00 0.00 H new ATOM 0 HG2 GLU A 107 118.411 -4.141 -3.478 1.00 0.00 H new ATOM 0 HG3 GLU A 107 118.917 -2.504 -3.843 1.00 0.00 H new ATOM 1788 N ILE A 108 115.916 0.380 -2.560 1.00 0.00 N ATOM 1789 CA ILE A 108 114.663 1.164 -2.327 1.00 0.00 C ATOM 1790 C ILE A 108 113.598 0.748 -3.352 1.00 0.00 C ATOM 1791 O ILE A 108 113.920 0.349 -4.455 1.00 0.00 O ATOM 1792 CB ILE A 108 115.071 2.642 -2.501 1.00 0.00 C ATOM 1793 CG1 ILE A 108 116.107 3.027 -1.438 1.00 0.00 C ATOM 1794 CG2 ILE A 108 113.859 3.569 -2.348 1.00 0.00 C ATOM 1795 CD1 ILE A 108 116.781 4.343 -1.828 1.00 0.00 C ATOM 0 H ILE A 108 116.372 0.567 -3.453 1.00 0.00 H new ATOM 0 HA ILE A 108 114.233 0.992 -1.340 1.00 0.00 H new ATOM 0 HB ILE A 108 115.490 2.755 -3.501 1.00 0.00 H new ATOM 0 HG12 ILE A 108 115.624 3.129 -0.466 1.00 0.00 H new ATOM 0 HG13 ILE A 108 116.854 2.239 -1.342 1.00 0.00 H new ATOM 0 HG21 ILE A 108 114.175 4.605 -2.475 1.00 0.00 H new ATOM 0 HG22 ILE A 108 113.114 3.321 -3.104 1.00 0.00 H new ATOM 0 HG23 ILE A 108 113.426 3.441 -1.356 1.00 0.00 H new ATOM 0 HD11 ILE A 108 117.517 4.614 -1.070 1.00 0.00 H new ATOM 0 HD12 ILE A 108 117.278 4.226 -2.791 1.00 0.00 H new ATOM 0 HD13 ILE A 108 116.029 5.129 -1.901 1.00 0.00 H new ATOM 1807 N ILE A 109 112.343 0.842 -2.977 1.00 0.00 N ATOM 1808 CA ILE A 109 111.223 0.708 -3.964 1.00 0.00 C ATOM 1809 C ILE A 109 110.452 2.030 -4.048 1.00 0.00 C ATOM 1810 O ILE A 109 110.472 2.813 -3.114 1.00 0.00 O ATOM 1811 CB ILE A 109 110.321 -0.433 -3.462 1.00 0.00 C ATOM 1812 CG1 ILE A 109 109.805 -0.162 -2.038 1.00 0.00 C ATOM 1813 CG2 ILE A 109 111.108 -1.747 -3.468 1.00 0.00 C ATOM 1814 CD1 ILE A 109 108.494 -0.919 -1.813 1.00 0.00 C ATOM 0 H ILE A 109 112.044 1.008 -2.016 1.00 0.00 H new ATOM 0 HA ILE A 109 111.591 0.482 -4.965 1.00 0.00 H new ATOM 0 HB ILE A 109 109.463 -0.500 -4.130 1.00 0.00 H new ATOM 0 HG12 ILE A 109 110.548 -0.476 -1.305 1.00 0.00 H new ATOM 0 HG13 ILE A 109 109.648 0.907 -1.895 1.00 0.00 H new ATOM 0 HG21 ILE A 109 110.469 -2.555 -3.112 1.00 0.00 H new ATOM 0 HG22 ILE A 109 111.441 -1.967 -4.482 1.00 0.00 H new ATOM 0 HG23 ILE A 109 111.975 -1.655 -2.814 1.00 0.00 H new ATOM 0 HD11 ILE A 109 108.131 -0.725 -0.804 1.00 0.00 H new ATOM 0 HD12 ILE A 109 107.751 -0.583 -2.537 1.00 0.00 H new ATOM 0 HD13 ILE A 109 108.665 -1.988 -1.938 1.00 0.00 H new ATOM 1826 N ALA A 110 109.784 2.269 -5.155 1.00 0.00 N ATOM 1827 CA ALA A 110 109.040 3.552 -5.348 1.00 0.00 C ATOM 1828 C ALA A 110 107.734 3.300 -6.122 1.00 0.00 C ATOM 1829 O ALA A 110 107.581 2.237 -6.694 1.00 0.00 O ATOM 1830 CB ALA A 110 109.984 4.452 -6.148 1.00 0.00 C ATOM 0 H ALA A 110 109.724 1.620 -5.940 1.00 0.00 H new ATOM 0 HA ALA A 110 108.759 4.010 -4.400 1.00 0.00 H new ATOM 0 HB1 ALA A 110 109.504 5.414 -6.328 1.00 0.00 H new ATOM 0 HB2 ALA A 110 110.905 4.606 -5.585 1.00 0.00 H new ATOM 0 HB3 ALA A 110 110.217 3.979 -7.102 1.00 0.00 H new ATOM 1836 N PRO A 111 106.826 4.266 -6.129 1.00 0.00 N ATOM 1837 CA PRO A 111 105.549 4.124 -6.906 1.00 0.00 C ATOM 1838 C PRO A 111 105.817 3.912 -8.404 1.00 0.00 C ATOM 1839 O PRO A 111 105.043 3.260 -9.082 1.00 0.00 O ATOM 1840 CB PRO A 111 104.844 5.463 -6.670 1.00 0.00 C ATOM 1841 CG PRO A 111 105.404 5.932 -5.374 1.00 0.00 C ATOM 1842 CD PRO A 111 106.857 5.570 -5.432 1.00 0.00 C ATOM 0 HA PRO A 111 104.963 3.261 -6.591 1.00 0.00 H new ATOM 0 HB2 PRO A 111 105.048 6.170 -7.474 1.00 0.00 H new ATOM 0 HB3 PRO A 111 103.762 5.342 -6.619 1.00 0.00 H new ATOM 0 HG2 PRO A 111 105.269 7.006 -5.250 1.00 0.00 H new ATOM 0 HG3 PRO A 111 104.909 5.449 -4.531 1.00 0.00 H new ATOM 0 HD2 PRO A 111 107.440 6.311 -5.980 1.00 0.00 H new ATOM 0 HD3 PRO A 111 107.297 5.490 -4.438 1.00 0.00 H new ATOM 1850 N MET A 112 106.901 4.460 -8.907 1.00 0.00 N ATOM 1851 CA MET A 112 107.235 4.323 -10.358 1.00 0.00 C ATOM 1852 C MET A 112 108.755 4.209 -10.556 1.00 0.00 C ATOM 1853 O MET A 112 109.517 4.468 -9.642 1.00 0.00 O ATOM 1854 CB MET A 112 106.614 5.546 -11.077 1.00 0.00 C ATOM 1855 CG MET A 112 107.411 6.857 -10.930 1.00 0.00 C ATOM 1856 SD MET A 112 107.317 7.504 -9.240 1.00 0.00 S ATOM 1857 CE MET A 112 105.566 7.957 -9.269 1.00 0.00 C ATOM 0 H MET A 112 107.574 5.002 -8.365 1.00 0.00 H new ATOM 0 HA MET A 112 106.822 3.409 -10.785 1.00 0.00 H new ATOM 0 HB2 MET A 112 106.515 5.314 -12.138 1.00 0.00 H new ATOM 0 HB3 MET A 112 105.607 5.704 -10.690 1.00 0.00 H new ATOM 0 HG2 MET A 112 108.453 6.682 -11.197 1.00 0.00 H new ATOM 0 HG3 MET A 112 107.024 7.600 -11.627 1.00 0.00 H new ATOM 0 HE1 MET A 112 105.327 8.543 -8.382 1.00 0.00 H new ATOM 0 HE2 MET A 112 105.358 8.548 -10.161 1.00 0.00 H new ATOM 0 HE3 MET A 112 104.957 7.053 -9.282 1.00 0.00 H new ATOM 1867 N LYS A 113 109.181 3.824 -11.739 1.00 0.00 N ATOM 1868 CA LYS A 113 110.645 3.640 -12.008 1.00 0.00 C ATOM 1869 C LYS A 113 111.346 5.001 -12.052 1.00 0.00 C ATOM 1870 O LYS A 113 111.214 5.739 -13.014 1.00 0.00 O ATOM 1871 CB LYS A 113 110.750 2.937 -13.367 1.00 0.00 C ATOM 1872 CG LYS A 113 112.178 2.428 -13.569 1.00 0.00 C ATOM 1873 CD LYS A 113 112.215 1.465 -14.759 1.00 0.00 C ATOM 1874 CE LYS A 113 112.057 2.252 -16.061 1.00 0.00 C ATOM 1875 NZ LYS A 113 112.011 1.217 -17.131 1.00 0.00 N ATOM 0 H LYS A 113 108.573 3.628 -12.534 1.00 0.00 H new ATOM 0 HA LYS A 113 111.124 3.052 -11.225 1.00 0.00 H new ATOM 0 HB2 LYS A 113 110.046 2.106 -13.414 1.00 0.00 H new ATOM 0 HB3 LYS A 113 110.482 3.627 -14.167 1.00 0.00 H new ATOM 0 HG2 LYS A 113 112.852 3.266 -13.745 1.00 0.00 H new ATOM 0 HG3 LYS A 113 112.526 1.923 -12.668 1.00 0.00 H new ATOM 0 HD2 LYS A 113 113.157 0.916 -14.766 1.00 0.00 H new ATOM 0 HD3 LYS A 113 111.417 0.728 -14.668 1.00 0.00 H new ATOM 0 HE2 LYS A 113 111.147 2.852 -16.052 1.00 0.00 H new ATOM 0 HE3 LYS A 113 112.890 2.939 -16.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 111.904 1.679 -18.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 112.893 0.666 -17.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 111.204 0.582 -16.965 1.00 0.00 H new ATOM 1889 N LEU A 114 112.090 5.328 -11.016 1.00 0.00 N ATOM 1890 CA LEU A 114 112.772 6.666 -10.933 1.00 0.00 C ATOM 1891 C LEU A 114 113.738 6.877 -12.105 1.00 0.00 C ATOM 1892 O LEU A 114 113.895 7.986 -12.581 1.00 0.00 O ATOM 1893 CB LEU A 114 113.557 6.669 -9.615 1.00 0.00 C ATOM 1894 CG LEU A 114 112.589 6.596 -8.433 1.00 0.00 C ATOM 1895 CD1 LEU A 114 113.373 6.316 -7.151 1.00 0.00 C ATOM 1896 CD2 LEU A 114 111.849 7.930 -8.293 1.00 0.00 C ATOM 0 H LEU A 114 112.255 4.718 -10.216 1.00 0.00 H new ATOM 0 HA LEU A 114 112.036 7.468 -10.975 1.00 0.00 H new ATOM 0 HB2 LEU A 114 114.242 5.822 -9.588 1.00 0.00 H new ATOM 0 HB3 LEU A 114 114.163 7.572 -9.545 1.00 0.00 H new ATOM 0 HG LEU A 114 111.868 5.796 -8.604 1.00 0.00 H new ATOM 0 HD11 LEU A 114 112.685 6.264 -6.308 1.00 0.00 H new ATOM 0 HD12 LEU A 114 113.901 5.368 -7.247 1.00 0.00 H new ATOM 0 HD13 LEU A 114 114.093 7.117 -6.983 1.00 0.00 H new ATOM 0 HD21 LEU A 114 111.159 7.877 -7.450 1.00 0.00 H new ATOM 0 HD22 LEU A 114 112.570 8.730 -8.122 1.00 0.00 H new ATOM 0 HD23 LEU A 114 111.291 8.134 -9.207 1.00 0.00 H new ATOM 1908 N ARG A 115 114.370 5.820 -12.569 1.00 0.00 N ATOM 1909 CA ARG A 115 115.426 5.955 -13.629 1.00 0.00 C ATOM 1910 C ARG A 115 114.830 6.508 -14.926 1.00 0.00 C ATOM 1911 O ARG A 115 115.488 7.253 -15.631 1.00 0.00 O ATOM 1912 CB ARG A 115 115.991 4.552 -13.871 1.00 0.00 C ATOM 1913 CG ARG A 115 116.739 4.078 -12.623 1.00 0.00 C ATOM 1914 CD ARG A 115 117.433 2.743 -12.915 1.00 0.00 C ATOM 1915 NE ARG A 115 116.334 1.747 -13.148 1.00 0.00 N ATOM 1916 CZ ARG A 115 116.507 0.650 -13.860 1.00 0.00 C ATOM 1917 NH1 ARG A 115 117.655 0.322 -14.408 1.00 0.00 N ATOM 1918 NH2 ARG A 115 115.490 -0.154 -14.019 1.00 0.00 N ATOM 0 H ARG A 115 114.198 4.864 -12.257 1.00 0.00 H new ATOM 0 HA ARG A 115 116.203 6.648 -13.307 1.00 0.00 H new ATOM 0 HB2 ARG A 115 115.183 3.860 -14.108 1.00 0.00 H new ATOM 0 HB3 ARG A 115 116.664 4.563 -14.729 1.00 0.00 H new ATOM 0 HG2 ARG A 115 117.475 4.824 -12.323 1.00 0.00 H new ATOM 0 HG3 ARG A 115 116.044 3.964 -11.791 1.00 0.00 H new ATOM 0 HD2 ARG A 115 118.079 2.822 -13.789 1.00 0.00 H new ATOM 0 HD3 ARG A 115 118.063 2.440 -12.079 1.00 0.00 H new ATOM 0 HE ARG A 115 115.417 1.926 -12.739 1.00 0.00 H new ATOM 0 HH11 ARG A 115 118.467 0.928 -14.292 1.00 0.00 H new ATOM 0 HH12 ARG A 115 117.734 -0.539 -14.949 1.00 0.00 H new ATOM 0 HH21 ARG A 115 114.589 0.073 -13.597 1.00 0.00 H new ATOM 0 HH22 ARG A 115 115.596 -1.009 -14.565 1.00 0.00 H new ATOM 1932 N GLU A 116 113.605 6.147 -15.229 1.00 0.00 N ATOM 1933 CA GLU A 116 112.934 6.674 -16.458 1.00 0.00 C ATOM 1934 C GLU A 116 112.445 8.099 -16.192 1.00 0.00 C ATOM 1935 O GLU A 116 112.702 8.997 -16.973 1.00 0.00 O ATOM 1936 CB GLU A 116 111.759 5.734 -16.749 1.00 0.00 C ATOM 1937 CG GLU A 116 111.145 6.082 -18.107 1.00 0.00 C ATOM 1938 CD GLU A 116 109.902 5.220 -18.345 1.00 0.00 C ATOM 1939 OE1 GLU A 116 109.110 5.089 -17.427 1.00 0.00 O ATOM 1940 OE2 GLU A 116 109.765 4.706 -19.443 1.00 0.00 O ATOM 0 H GLU A 116 113.039 5.506 -14.673 1.00 0.00 H new ATOM 0 HA GLU A 116 113.610 6.710 -17.312 1.00 0.00 H new ATOM 0 HB2 GLU A 116 112.100 4.699 -16.748 1.00 0.00 H new ATOM 0 HB3 GLU A 116 111.007 5.823 -15.965 1.00 0.00 H new ATOM 0 HG2 GLU A 116 110.878 7.138 -18.137 1.00 0.00 H new ATOM 0 HG3 GLU A 116 111.873 5.915 -18.900 1.00 0.00 H new ATOM 1947 N GLN A 117 111.759 8.305 -15.088 1.00 0.00 N ATOM 1948 CA GLN A 117 111.088 9.625 -14.828 1.00 0.00 C ATOM 1949 C GLN A 117 112.117 10.759 -14.736 1.00 0.00 C ATOM 1950 O GLN A 117 111.838 11.874 -15.140 1.00 0.00 O ATOM 1951 CB GLN A 117 110.344 9.478 -13.496 1.00 0.00 C ATOM 1952 CG GLN A 117 109.232 8.436 -13.638 1.00 0.00 C ATOM 1953 CD GLN A 117 108.099 9.004 -14.496 1.00 0.00 C ATOM 1954 OE1 GLN A 117 107.641 10.105 -14.266 1.00 0.00 O ATOM 1955 NE2 GLN A 117 107.626 8.294 -15.483 1.00 0.00 N ATOM 0 H GLN A 117 111.634 7.611 -14.351 1.00 0.00 H new ATOM 0 HA GLN A 117 110.408 9.878 -15.642 1.00 0.00 H new ATOM 0 HB2 GLN A 117 111.039 9.178 -12.712 1.00 0.00 H new ATOM 0 HB3 GLN A 117 109.921 10.437 -13.197 1.00 0.00 H new ATOM 0 HG2 GLN A 117 109.627 7.529 -14.095 1.00 0.00 H new ATOM 0 HG3 GLN A 117 108.852 8.159 -12.655 1.00 0.00 H new ATOM 0 HE21 GLN A 117 108.011 7.369 -15.676 1.00 0.00 H new ATOM 0 HE22 GLN A 117 106.872 8.664 -16.061 1.00 0.00 H new ATOM 1964 N PHE A 118 113.288 10.475 -14.213 1.00 0.00 N ATOM 1965 CA PHE A 118 114.329 11.534 -14.032 1.00 0.00 C ATOM 1966 C PHE A 118 115.498 11.387 -15.019 1.00 0.00 C ATOM 1967 O PHE A 118 116.487 12.086 -14.892 1.00 0.00 O ATOM 1968 CB PHE A 118 114.823 11.347 -12.597 1.00 0.00 C ATOM 1969 CG PHE A 118 113.797 11.724 -11.554 1.00 0.00 C ATOM 1970 CD1 PHE A 118 112.872 10.744 -11.074 1.00 0.00 C ATOM 1971 CD2 PHE A 118 113.751 13.059 -11.046 1.00 0.00 C ATOM 1972 CE1 PHE A 118 111.902 11.101 -10.086 1.00 0.00 C ATOM 1973 CE2 PHE A 118 112.781 13.415 -10.059 1.00 0.00 C ATOM 1974 CZ PHE A 118 111.857 12.435 -9.579 1.00 0.00 C ATOM 0 H PHE A 118 113.567 9.545 -13.901 1.00 0.00 H new ATOM 0 HA PHE A 118 113.914 12.524 -14.220 1.00 0.00 H new ATOM 0 HB2 PHE A 118 115.111 10.306 -12.453 1.00 0.00 H new ATOM 0 HB3 PHE A 118 115.719 11.949 -12.448 1.00 0.00 H new ATOM 0 HD1 PHE A 118 112.906 9.735 -11.458 1.00 0.00 H new ATOM 0 HD2 PHE A 118 114.449 13.799 -11.408 1.00 0.00 H new ATOM 0 HE1 PHE A 118 111.203 10.362 -9.723 1.00 0.00 H new ATOM 0 HE2 PHE A 118 112.746 14.424 -9.676 1.00 0.00 H new ATOM 0 HZ PHE A 118 111.124 12.704 -8.832 1.00 0.00 H new ATOM 1984 N ASN A 119 115.412 10.498 -15.998 1.00 0.00 N ATOM 1985 CA ASN A 119 116.527 10.285 -16.992 1.00 0.00 C ATOM 1986 C ASN A 119 117.881 10.043 -16.295 1.00 0.00 C ATOM 1987 O ASN A 119 118.877 10.671 -16.617 1.00 0.00 O ATOM 1988 CB ASN A 119 116.558 11.553 -17.859 1.00 0.00 C ATOM 1989 CG ASN A 119 115.267 11.649 -18.675 1.00 0.00 C ATOM 1990 OD1 ASN A 119 114.585 12.654 -18.639 1.00 0.00 O ATOM 1991 ND2 ASN A 119 114.901 10.639 -19.415 1.00 0.00 N ATOM 0 H ASN A 119 114.599 9.901 -16.150 1.00 0.00 H new ATOM 0 HA ASN A 119 116.352 9.393 -17.594 1.00 0.00 H new ATOM 0 HB2 ASN A 119 116.667 12.435 -17.228 1.00 0.00 H new ATOM 0 HB3 ASN A 119 117.420 11.529 -18.525 1.00 0.00 H new ATOM 0 HD21 ASN A 119 114.043 10.693 -19.963 1.00 0.00 H new ATOM 0 HD22 ASN A 119 115.473 9.795 -19.445 1.00 0.00 H new ATOM 1998 N LEU A 120 117.911 9.132 -15.348 1.00 0.00 N ATOM 1999 CA LEU A 120 119.127 8.944 -14.492 1.00 0.00 C ATOM 2000 C LEU A 120 120.067 7.901 -15.102 1.00 0.00 C ATOM 2001 O LEU A 120 119.625 6.876 -15.592 1.00 0.00 O ATOM 2002 CB LEU A 120 118.612 8.457 -13.135 1.00 0.00 C ATOM 2003 CG LEU A 120 117.799 9.563 -12.461 1.00 0.00 C ATOM 2004 CD1 LEU A 120 116.948 8.956 -11.343 1.00 0.00 C ATOM 2005 CD2 LEU A 120 118.749 10.606 -11.867 1.00 0.00 C ATOM 0 H LEU A 120 117.136 8.505 -15.130 1.00 0.00 H new ATOM 0 HA LEU A 120 119.693 9.871 -14.404 1.00 0.00 H new ATOM 0 HB2 LEU A 120 117.994 7.569 -13.268 1.00 0.00 H new ATOM 0 HB3 LEU A 120 119.450 8.170 -12.499 1.00 0.00 H new ATOM 0 HG LEU A 120 117.151 10.039 -13.197 1.00 0.00 H new ATOM 0 HD11 LEU A 120 116.367 9.742 -10.860 1.00 0.00 H new ATOM 0 HD12 LEU A 120 116.272 8.211 -11.764 1.00 0.00 H new ATOM 0 HD13 LEU A 120 117.598 8.482 -10.608 1.00 0.00 H new ATOM 0 HD21 LEU A 120 118.169 11.394 -11.387 1.00 0.00 H new ATOM 0 HD22 LEU A 120 119.396 10.131 -11.130 1.00 0.00 H new ATOM 0 HD23 LEU A 120 119.359 11.037 -12.661 1.00 0.00 H new ATOM 2017 N LYS A 121 121.352 8.169 -15.070 1.00 0.00 N ATOM 2018 CA LYS A 121 122.367 7.178 -15.543 1.00 0.00 C ATOM 2019 C LYS A 121 123.241 6.732 -14.368 1.00 0.00 C ATOM 2020 O LYS A 121 123.366 7.441 -13.385 1.00 0.00 O ATOM 2021 CB LYS A 121 123.204 7.928 -16.579 1.00 0.00 C ATOM 2022 CG LYS A 121 122.349 8.232 -17.811 1.00 0.00 C ATOM 2023 CD LYS A 121 123.185 8.996 -18.840 1.00 0.00 C ATOM 2024 CE LYS A 121 124.132 8.027 -19.552 1.00 0.00 C ATOM 2025 NZ LYS A 121 123.317 7.425 -20.644 1.00 0.00 N ATOM 0 H LYS A 121 121.744 9.047 -14.730 1.00 0.00 H new ATOM 0 HA LYS A 121 121.910 6.283 -15.965 1.00 0.00 H new ATOM 0 HB2 LYS A 121 123.585 8.855 -16.151 1.00 0.00 H new ATOM 0 HB3 LYS A 121 124.069 7.330 -16.864 1.00 0.00 H new ATOM 0 HG2 LYS A 121 121.977 7.304 -18.246 1.00 0.00 H new ATOM 0 HG3 LYS A 121 121.478 8.822 -17.525 1.00 0.00 H new ATOM 0 HD2 LYS A 121 122.532 9.482 -19.565 1.00 0.00 H new ATOM 0 HD3 LYS A 121 123.756 9.783 -18.348 1.00 0.00 H new ATOM 0 HE2 LYS A 121 125.003 8.547 -19.950 1.00 0.00 H new ATOM 0 HE3 LYS A 121 124.502 7.263 -18.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 123.610 6.438 -20.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 122.311 7.452 -20.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 123.460 7.964 -21.522 1.00 0.00 H new ATOM 2039 N ASP A 122 123.848 5.568 -14.468 1.00 0.00 N ATOM 2040 CA ASP A 122 124.705 5.030 -13.350 1.00 0.00 C ATOM 2041 C ASP A 122 125.815 6.020 -12.965 1.00 0.00 C ATOM 2042 O ASP A 122 126.437 6.615 -13.827 1.00 0.00 O ATOM 2043 CB ASP A 122 125.330 3.733 -13.877 1.00 0.00 C ATOM 2044 CG ASP A 122 124.233 2.695 -14.126 1.00 0.00 C ATOM 2045 OD1 ASP A 122 123.367 2.559 -13.276 1.00 0.00 O ATOM 2046 OD2 ASP A 122 124.278 2.052 -15.162 1.00 0.00 O ATOM 0 H ASP A 122 123.787 4.960 -15.285 1.00 0.00 H new ATOM 0 HA ASP A 122 124.103 4.864 -12.456 1.00 0.00 H new ATOM 0 HB2 ASP A 122 125.874 3.930 -14.801 1.00 0.00 H new ATOM 0 HB3 ASP A 122 126.052 3.347 -13.157 1.00 0.00 H new ATOM 2051 N GLY A 123 126.054 6.184 -11.684 1.00 0.00 N ATOM 2052 CA GLY A 123 127.085 7.156 -11.206 1.00 0.00 C ATOM 2053 C GLY A 123 126.436 8.460 -10.719 1.00 0.00 C ATOM 2054 O GLY A 123 127.035 9.172 -9.932 1.00 0.00 O ATOM 0 H GLY A 123 125.571 5.678 -10.942 1.00 0.00 H new ATOM 0 HA2 GLY A 123 127.662 6.709 -10.396 1.00 0.00 H new ATOM 0 HA3 GLY A 123 127.785 7.374 -12.013 1.00 0.00 H new ATOM 2058 N ASP A 124 125.236 8.776 -11.169 1.00 0.00 N ATOM 2059 CA ASP A 124 124.559 10.046 -10.732 1.00 0.00 C ATOM 2060 C ASP A 124 124.252 9.987 -9.232 1.00 0.00 C ATOM 2061 O ASP A 124 124.099 8.914 -8.678 1.00 0.00 O ATOM 2062 CB ASP A 124 123.262 10.160 -11.544 1.00 0.00 C ATOM 2063 CG ASP A 124 123.535 10.870 -12.874 1.00 0.00 C ATOM 2064 OD1 ASP A 124 124.286 11.832 -12.872 1.00 0.00 O ATOM 2065 OD2 ASP A 124 122.982 10.440 -13.871 1.00 0.00 O ATOM 0 H ASP A 124 124.697 8.206 -11.821 1.00 0.00 H new ATOM 0 HA ASP A 124 125.197 10.913 -10.903 1.00 0.00 H new ATOM 0 HB2 ASP A 124 122.852 9.167 -11.730 1.00 0.00 H new ATOM 0 HB3 ASP A 124 122.514 10.712 -10.975 1.00 0.00 H new ATOM 2070 N VAL A 125 124.161 11.127 -8.587 1.00 0.00 N ATOM 2071 CA VAL A 125 123.982 11.163 -7.100 1.00 0.00 C ATOM 2072 C VAL A 125 122.594 11.727 -6.766 1.00 0.00 C ATOM 2073 O VAL A 125 122.177 12.727 -7.323 1.00 0.00 O ATOM 2074 CB VAL A 125 125.103 12.072 -6.558 1.00 0.00 C ATOM 2075 CG1 VAL A 125 125.035 12.154 -5.028 1.00 0.00 C ATOM 2076 CG2 VAL A 125 126.479 11.513 -6.944 1.00 0.00 C ATOM 0 H VAL A 125 124.204 12.043 -9.033 1.00 0.00 H new ATOM 0 HA VAL A 125 124.043 10.172 -6.650 1.00 0.00 H new ATOM 0 HB VAL A 125 124.965 13.062 -6.992 1.00 0.00 H new ATOM 0 HG11 VAL A 125 125.833 12.800 -4.662 1.00 0.00 H new ATOM 0 HG12 VAL A 125 124.071 12.564 -4.728 1.00 0.00 H new ATOM 0 HG13 VAL A 125 125.152 11.156 -4.605 1.00 0.00 H new ATOM 0 HG21 VAL A 125 127.260 12.166 -6.554 1.00 0.00 H new ATOM 0 HG22 VAL A 125 126.597 10.515 -6.523 1.00 0.00 H new ATOM 0 HG23 VAL A 125 126.559 11.461 -8.030 1.00 0.00 H new ATOM 2086 N ILE A 126 121.893 11.081 -5.862 1.00 0.00 N ATOM 2087 CA ILE A 126 120.583 11.609 -5.366 1.00 0.00 C ATOM 2088 C ILE A 126 120.574 11.599 -3.833 1.00 0.00 C ATOM 2089 O ILE A 126 121.379 10.921 -3.218 1.00 0.00 O ATOM 2090 CB ILE A 126 119.489 10.689 -5.940 1.00 0.00 C ATOM 2091 CG1 ILE A 126 119.714 9.225 -5.532 1.00 0.00 C ATOM 2092 CG2 ILE A 126 119.487 10.788 -7.467 1.00 0.00 C ATOM 2093 CD1 ILE A 126 118.448 8.414 -5.816 1.00 0.00 C ATOM 0 H ILE A 126 122.179 10.197 -5.442 1.00 0.00 H new ATOM 0 HA ILE A 126 120.412 12.637 -5.684 1.00 0.00 H new ATOM 0 HB ILE A 126 118.530 11.015 -5.537 1.00 0.00 H new ATOM 0 HG12 ILE A 126 120.557 8.808 -6.084 1.00 0.00 H new ATOM 0 HG13 ILE A 126 119.966 9.166 -4.473 1.00 0.00 H new ATOM 0 HG21 ILE A 126 118.713 10.137 -7.873 1.00 0.00 H new ATOM 0 HG22 ILE A 126 119.288 11.818 -7.765 1.00 0.00 H new ATOM 0 HG23 ILE A 126 120.459 10.480 -7.853 1.00 0.00 H new ATOM 0 HD11 ILE A 126 118.609 7.376 -5.526 1.00 0.00 H new ATOM 0 HD12 ILE A 126 117.616 8.826 -5.244 1.00 0.00 H new ATOM 0 HD13 ILE A 126 118.216 8.462 -6.880 1.00 0.00 H new ATOM 2105 N LYS A 127 119.676 12.342 -3.229 1.00 0.00 N ATOM 2106 CA LYS A 127 119.674 12.492 -1.741 1.00 0.00 C ATOM 2107 C LYS A 127 118.469 11.771 -1.135 1.00 0.00 C ATOM 2108 O LYS A 127 117.380 11.826 -1.674 1.00 0.00 O ATOM 2109 CB LYS A 127 119.573 13.999 -1.495 1.00 0.00 C ATOM 2110 CG LYS A 127 120.860 14.684 -1.958 1.00 0.00 C ATOM 2111 CD LYS A 127 120.803 16.172 -1.604 1.00 0.00 C ATOM 2112 CE LYS A 127 122.032 16.881 -2.176 1.00 0.00 C ATOM 2113 NZ LYS A 127 121.620 18.305 -2.322 1.00 0.00 N ATOM 0 H LYS A 127 118.938 12.855 -3.710 1.00 0.00 H new ATOM 0 HA LYS A 127 120.564 12.061 -1.284 1.00 0.00 H new ATOM 0 HB2 LYS A 127 118.718 14.409 -2.033 1.00 0.00 H new ATOM 0 HB3 LYS A 127 119.407 14.194 -0.436 1.00 0.00 H new ATOM 0 HG2 LYS A 127 121.723 14.219 -1.482 1.00 0.00 H new ATOM 0 HG3 LYS A 127 120.984 14.560 -3.034 1.00 0.00 H new ATOM 0 HD2 LYS A 127 119.893 16.618 -2.006 1.00 0.00 H new ATOM 0 HD3 LYS A 127 120.768 16.298 -0.522 1.00 0.00 H new ATOM 0 HE2 LYS A 127 122.889 16.784 -1.510 1.00 0.00 H new ATOM 0 HE3 LYS A 127 122.324 16.454 -3.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 122.411 18.857 -2.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 120.806 18.367 -2.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 121.355 18.687 -1.392 1.00 0.00 H new ATOM 2127 N ILE A 128 118.667 11.099 -0.024 1.00 0.00 N ATOM 2128 CA ILE A 128 117.530 10.453 0.707 1.00 0.00 C ATOM 2129 C ILE A 128 117.296 11.171 2.041 1.00 0.00 C ATOM 2130 O ILE A 128 118.237 11.514 2.737 1.00 0.00 O ATOM 2131 CB ILE A 128 117.918 8.977 0.915 1.00 0.00 C ATOM 2132 CG1 ILE A 128 119.249 8.841 1.672 1.00 0.00 C ATOM 2133 CG2 ILE A 128 118.046 8.291 -0.448 1.00 0.00 C ATOM 2134 CD1 ILE A 128 119.435 7.392 2.130 1.00 0.00 C ATOM 0 H ILE A 128 119.580 10.970 0.412 1.00 0.00 H new ATOM 0 HA ILE A 128 116.598 10.517 0.145 1.00 0.00 H new ATOM 0 HB ILE A 128 117.137 8.505 1.511 1.00 0.00 H new ATOM 0 HG12 ILE A 128 120.077 9.138 1.028 1.00 0.00 H new ATOM 0 HG13 ILE A 128 119.259 9.509 2.533 1.00 0.00 H new ATOM 0 HG21 ILE A 128 118.321 7.246 -0.305 1.00 0.00 H new ATOM 0 HG22 ILE A 128 117.093 8.347 -0.974 1.00 0.00 H new ATOM 0 HG23 ILE A 128 118.815 8.791 -1.036 1.00 0.00 H new ATOM 0 HD11 ILE A 128 120.379 7.298 2.666 1.00 0.00 H new ATOM 0 HD12 ILE A 128 118.614 7.110 2.789 1.00 0.00 H new ATOM 0 HD13 ILE A 128 119.445 6.734 1.261 1.00 0.00 H new ATOM 2146 N LEU A 129 116.049 11.397 2.385 1.00 0.00 N ATOM 2147 CA LEU A 129 115.710 12.168 3.620 1.00 0.00 C ATOM 2148 C LEU A 129 115.077 11.245 4.666 1.00 0.00 C ATOM 2149 O LEU A 129 114.193 10.468 4.352 1.00 0.00 O ATOM 2150 CB LEU A 129 114.709 13.230 3.160 1.00 0.00 C ATOM 2151 CG LEU A 129 114.502 14.268 4.269 1.00 0.00 C ATOM 2152 CD1 LEU A 129 114.049 15.594 3.654 1.00 0.00 C ATOM 2153 CD2 LEU A 129 113.432 13.772 5.247 1.00 0.00 C ATOM 0 H LEU A 129 115.241 11.074 1.852 1.00 0.00 H new ATOM 0 HA LEU A 129 116.590 12.612 4.085 1.00 0.00 H new ATOM 0 HB2 LEU A 129 115.074 13.718 2.256 1.00 0.00 H new ATOM 0 HB3 LEU A 129 113.758 12.761 2.907 1.00 0.00 H new ATOM 0 HG LEU A 129 115.442 14.415 4.801 1.00 0.00 H new ATOM 0 HD11 LEU A 129 113.902 16.330 4.444 1.00 0.00 H new ATOM 0 HD12 LEU A 129 114.810 15.952 2.961 1.00 0.00 H new ATOM 0 HD13 LEU A 129 113.111 15.445 3.118 1.00 0.00 H new ATOM 0 HD21 LEU A 129 113.287 14.512 6.034 1.00 0.00 H new ATOM 0 HD22 LEU A 129 112.493 13.621 4.714 1.00 0.00 H new ATOM 0 HD23 LEU A 129 113.753 12.829 5.690 1.00 0.00 H new