USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 636 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 45 HIS : no HD1:sc= -1.87 X(o=-1.9,f=-2.3!) USER MOD Set 1.2: A 47 SER OG : rot 180:sc= -0.0128 USER MOD Set 2.1: A 25 CYS SG : rot -8:sc= 0.424 USER MOD Set 2.2: A 32 GLN : amide:sc= 0.896 K(o=2.3,f=1) USER MOD Set 2.3: A 53 TYR OH : rot 15:sc= 1.03 USER MOD Set 3.1: A 10 TYR OH : rot 169:sc= 1.06 USER MOD Set 3.2: A 38 HIS : no HE2:sc= 1.16 K(o=2.2,f=-12!) USER MOD Single : A 1 MET CE :methyl -178:sc= 0 (180deg=-0.00976) USER MOD Single : A 1 MET N :NH3+ -115:sc= 1.36 (180deg=-0.617!) USER MOD Single : A 4 LYS NZ :NH3+ 177:sc= 1.43 (180deg=1.33) USER MOD Single : A 5 ASN : amide:sc= 0.342 X(o=0.34,f=0) USER MOD Single : A 6 SER OG : rot 2:sc= 0.611 USER MOD Single : A 8 SER OG : rot -22:sc= 0.105 USER MOD Single : A 11 THR OG1 : rot -108:sc= 1.14 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -121:sc= -0.079 (180deg=-5.04!) USER MOD Single : A 17 LYS NZ :NH3+ -118:sc= 0.583! (180deg=-0.366) USER MOD Single : A 24 ASN : amide:sc= 0.437 X(o=0.44,f=-0.036) USER MOD Single : A 30 LYS NZ :NH3+ -164:sc= 2.31 (180deg=1.8) USER MOD Single : A 31 LYS NZ :NH3+ -171:sc= 2.47 (180deg=2.4) USER MOD Single : A 35 ASN : amide:sc= -6.14! C(o=-6.1!,f=-7.2!) USER MOD Single : A 41 SER OG : rot -28:sc= 0.115 USER MOD Single : A 43 THR OG1 : rot 151:sc= 1.35 USER MOD Single : A 49 SER OG : rot 180:sc= -0.443 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0.345 K(o=0.35,f=-0.44) USER MOD Single : A 59 ASN : amide:sc= -0.137 K(o=-0.14,f=-2.9!) USER MOD Single : A 62 SER OG : rot 54:sc= 0.649 USER MOD Single : A 68 LYS NZ :NH3+ -160:sc= -0.0311 (180deg=-1.3!) USER MOD Single : A 71 LYS NZ :NH3+ 175:sc= 1.27 (180deg=1.2) USER MOD Single : A 77 ASN : amide:sc= 0.686 K(o=0.69,f=0) USER MOD Single : A 79 LYS NZ :NH3+ -129:sc= 1.47 (180deg=0.336) USER MOD Single : A 80 SER OG : rot 30:sc= 0.776 USER MOD Single : A 83 LYS NZ :NH3+ -166:sc= -0.133 (180deg=-0.591!) USER MOD Single : A 84 GLN : amide:sc= 0.819 K(o=0.82,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.982 0.140 2.614 1.00 0.00 N ATOM 2 CA MET A 1 13.046 1.274 2.569 1.00 0.00 C ATOM 3 C MET A 1 13.743 2.544 2.062 1.00 0.00 C ATOM 4 O MET A 1 14.344 3.290 2.832 1.00 0.00 O ATOM 5 CB MET A 1 12.381 1.525 3.934 1.00 0.00 C ATOM 6 CG MET A 1 11.174 2.446 3.745 1.00 0.00 C ATOM 7 SD MET A 1 10.562 3.309 5.220 1.00 0.00 S ATOM 8 CE MET A 1 10.255 1.917 6.345 1.00 0.00 C ATOM 0 H1 MET A 1 13.682 -0.585 1.932 1.00 0.00 H new ATOM 0 H2 MET A 1 14.938 0.469 2.371 1.00 0.00 H new ATOM 0 H3 MET A 1 13.989 -0.267 3.571 1.00 0.00 H new ATOM 0 HA MET A 1 12.257 1.011 1.865 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.067 0.580 4.378 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.095 1.978 4.622 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.432 3.195 2.996 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.356 1.854 3.334 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.841 2.291 7.282 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.547 1.227 5.885 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.192 1.397 6.544 1.00 0.00 H new ATOM 18 N GLU A 2 13.651 2.829 0.761 1.00 0.00 N ATOM 19 CA GLU A 2 14.421 3.874 0.074 1.00 0.00 C ATOM 20 C GLU A 2 13.677 4.406 -1.157 1.00 0.00 C ATOM 21 O GLU A 2 14.250 4.812 -2.167 1.00 0.00 O ATOM 22 CB GLU A 2 15.852 3.365 -0.231 1.00 0.00 C ATOM 23 CG GLU A 2 15.951 2.018 -0.983 1.00 0.00 C ATOM 24 CD GLU A 2 15.463 0.837 -0.131 1.00 0.00 C ATOM 25 OE1 GLU A 2 16.147 0.475 0.849 1.00 0.00 O ATOM 26 OE2 GLU A 2 14.300 0.410 -0.309 1.00 0.00 O ATOM 0 H GLU A 2 13.021 2.326 0.136 1.00 0.00 H new ATOM 0 HA GLU A 2 14.527 4.735 0.734 1.00 0.00 H new ATOM 0 HB2 GLU A 2 16.368 4.124 -0.819 1.00 0.00 H new ATOM 0 HB3 GLU A 2 16.391 3.271 0.712 1.00 0.00 H new ATOM 0 HG2 GLU A 2 15.361 2.071 -1.898 1.00 0.00 H new ATOM 0 HG3 GLU A 2 16.985 1.846 -1.280 1.00 0.00 H new ATOM 33 N LEU A 3 12.358 4.363 -1.034 1.00 0.00 N ATOM 34 CA LEU A 3 11.362 4.368 -2.055 1.00 0.00 C ATOM 35 C LEU A 3 10.681 5.733 -2.251 1.00 0.00 C ATOM 36 O LEU A 3 11.153 6.759 -1.753 1.00 0.00 O ATOM 37 CB LEU A 3 10.393 3.190 -1.843 1.00 0.00 C ATOM 38 CG LEU A 3 11.033 1.797 -1.648 1.00 0.00 C ATOM 39 CD1 LEU A 3 9.931 0.755 -1.456 1.00 0.00 C ATOM 40 CD2 LEU A 3 11.929 1.386 -2.823 1.00 0.00 C ATOM 0 H LEU A 3 11.931 4.319 -0.109 1.00 0.00 H new ATOM 0 HA LEU A 3 11.856 4.211 -3.014 1.00 0.00 H new ATOM 0 HB2 LEU A 3 9.777 3.408 -0.970 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.723 3.141 -2.701 1.00 0.00 H new ATOM 0 HG LEU A 3 11.668 1.853 -0.764 1.00 0.00 H new ATOM 0 HD11 LEU A 3 10.380 -0.229 -1.318 1.00 0.00 H new ATOM 0 HD12 LEU A 3 9.339 1.010 -0.577 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.287 0.740 -2.336 1.00 0.00 H new ATOM 0 HD21 LEU A 3 12.351 0.400 -2.631 1.00 0.00 H new ATOM 0 HD22 LEU A 3 11.338 1.356 -3.738 1.00 0.00 H new ATOM 0 HD23 LEU A 3 12.736 2.110 -2.936 1.00 0.00 H new ATOM 52 N LYS A 4 9.584 5.753 -3.022 1.00 0.00 N ATOM 53 CA LYS A 4 8.779 6.944 -3.307 1.00 0.00 C ATOM 54 C LYS A 4 8.474 7.684 -2.024 1.00 0.00 C ATOM 55 O LYS A 4 7.973 7.120 -1.056 1.00 0.00 O ATOM 56 CB LYS A 4 7.521 6.643 -4.131 1.00 0.00 C ATOM 57 CG LYS A 4 7.727 5.838 -5.421 1.00 0.00 C ATOM 58 CD LYS A 4 8.802 6.461 -6.332 1.00 0.00 C ATOM 59 CE LYS A 4 8.438 6.381 -7.815 1.00 0.00 C ATOM 60 NZ LYS A 4 7.344 7.306 -8.182 1.00 0.00 N ATOM 0 H LYS A 4 9.224 4.914 -3.477 1.00 0.00 H new ATOM 0 HA LYS A 4 9.374 7.598 -3.944 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.820 6.100 -3.498 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.048 7.590 -4.391 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.015 4.818 -5.168 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.784 5.778 -5.964 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.948 7.505 -6.054 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.752 5.952 -6.167 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.319 6.610 -8.415 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.143 5.360 -8.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.170 7.250 -9.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.479 7.041 -7.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.612 8.279 -7.929 1.00 0.00 H new ATOM 74 N ASN A 5 8.858 8.957 -2.014 1.00 0.00 N ATOM 75 CA ASN A 5 8.972 9.732 -0.788 1.00 0.00 C ATOM 76 C ASN A 5 7.597 10.126 -0.251 1.00 0.00 C ATOM 77 O ASN A 5 7.512 10.722 0.823 1.00 0.00 O ATOM 78 CB ASN A 5 9.853 10.973 -1.030 1.00 0.00 C ATOM 79 CG ASN A 5 11.361 10.725 -0.961 1.00 0.00 C ATOM 80 OD1 ASN A 5 12.119 11.660 -0.733 1.00 0.00 O ATOM 81 ND2 ASN A 5 11.859 9.513 -1.170 1.00 0.00 N ATOM 0 H ASN A 5 9.098 9.478 -2.857 1.00 0.00 H new ATOM 0 HA ASN A 5 9.448 9.111 -0.029 1.00 0.00 H new ATOM 0 HB2 ASN A 5 9.613 11.383 -2.011 1.00 0.00 H new ATOM 0 HB3 ASN A 5 9.592 11.733 -0.294 1.00 0.00 H new ATOM 0 HD21 ASN A 5 12.868 9.364 -1.140 1.00 0.00 H new ATOM 0 HD22 ASN A 5 11.233 8.730 -1.360 1.00 0.00 H new ATOM 88 N SER A 6 6.505 9.873 -0.979 1.00 0.00 N ATOM 89 CA SER A 6 5.158 10.164 -0.524 1.00 0.00 C ATOM 90 C SER A 6 4.119 9.357 -1.287 1.00 0.00 C ATOM 91 O SER A 6 4.370 8.908 -2.401 1.00 0.00 O ATOM 92 CB SER A 6 4.878 11.627 -0.814 1.00 0.00 C ATOM 93 OG SER A 6 5.717 12.521 -0.112 1.00 0.00 O ATOM 0 H SER A 6 6.541 9.456 -1.909 1.00 0.00 H new ATOM 0 HA SER A 6 5.094 9.919 0.536 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.990 11.803 -1.884 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.840 11.845 -0.562 1.00 0.00 H new ATOM 0 HG SER A 6 6.362 12.013 0.423 1.00 0.00 H new ATOM 99 N ILE A 7 2.888 9.315 -0.774 1.00 0.00 N ATOM 100 CA ILE A 7 1.756 8.750 -1.495 1.00 0.00 C ATOM 101 C ILE A 7 1.511 9.461 -2.834 1.00 0.00 C ATOM 102 O ILE A 7 1.134 8.808 -3.799 1.00 0.00 O ATOM 103 CB ILE A 7 0.529 8.683 -0.562 1.00 0.00 C ATOM 104 CG1 ILE A 7 0.478 7.303 0.109 1.00 0.00 C ATOM 105 CG2 ILE A 7 -0.819 8.986 -1.214 1.00 0.00 C ATOM 106 CD1 ILE A 7 0.040 6.114 -0.746 1.00 0.00 C ATOM 0 H ILE A 7 2.652 9.672 0.152 1.00 0.00 H new ATOM 0 HA ILE A 7 1.981 7.724 -1.785 1.00 0.00 H new ATOM 0 HB ILE A 7 0.676 9.484 0.163 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.470 7.085 0.504 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.197 7.369 0.962 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.610 8.910 -0.467 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.805 9.995 -1.627 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.006 8.269 -2.014 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.052 5.207 -0.141 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.969 6.287 -1.121 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.724 5.998 -1.586 1.00 0.00 H new ATOM 118 N SER A 8 1.756 10.771 -2.948 1.00 0.00 N ATOM 119 CA SER A 8 1.568 11.462 -4.228 1.00 0.00 C ATOM 120 C SER A 8 2.656 11.097 -5.246 1.00 0.00 C ATOM 121 O SER A 8 2.454 11.335 -6.437 1.00 0.00 O ATOM 122 CB SER A 8 1.519 12.978 -3.998 1.00 0.00 C ATOM 123 OG SER A 8 1.098 13.653 -5.167 1.00 0.00 O ATOM 0 H SER A 8 2.079 11.365 -2.184 1.00 0.00 H new ATOM 0 HA SER A 8 0.619 11.133 -4.651 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.837 13.203 -3.178 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.505 13.337 -3.701 1.00 0.00 H new ATOM 0 HG SER A 8 1.257 13.084 -5.949 1.00 0.00 H new ATOM 129 N ASP A 9 3.787 10.549 -4.798 1.00 0.00 N ATOM 130 CA ASP A 9 4.849 10.000 -5.642 1.00 0.00 C ATOM 131 C ASP A 9 4.515 8.540 -5.994 1.00 0.00 C ATOM 132 O ASP A 9 4.988 7.990 -6.982 1.00 0.00 O ATOM 133 CB ASP A 9 6.164 10.107 -4.848 1.00 0.00 C ATOM 134 CG ASP A 9 7.460 9.837 -5.617 1.00 0.00 C ATOM 135 OD1 ASP A 9 7.440 9.703 -6.862 1.00 0.00 O ATOM 136 OD2 ASP A 9 8.488 9.741 -4.908 1.00 0.00 O ATOM 0 H ASP A 9 3.996 10.473 -3.802 1.00 0.00 H new ATOM 0 HA ASP A 9 4.945 10.548 -6.580 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.224 11.109 -4.424 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.114 9.409 -4.012 1.00 0.00 H new ATOM 141 N TYR A 10 3.631 7.900 -5.229 1.00 0.00 N ATOM 142 CA TYR A 10 3.276 6.491 -5.331 1.00 0.00 C ATOM 143 C TYR A 10 2.056 6.283 -6.200 1.00 0.00 C ATOM 144 O TYR A 10 1.061 5.706 -5.779 1.00 0.00 O ATOM 145 CB TYR A 10 3.025 5.943 -3.932 1.00 0.00 C ATOM 146 CG TYR A 10 4.187 5.224 -3.355 1.00 0.00 C ATOM 147 CD1 TYR A 10 4.716 4.144 -4.075 1.00 0.00 C ATOM 148 CD2 TYR A 10 4.653 5.549 -2.077 1.00 0.00 C ATOM 149 CE1 TYR A 10 5.755 3.394 -3.526 1.00 0.00 C ATOM 150 CE2 TYR A 10 5.720 4.815 -1.542 1.00 0.00 C ATOM 151 CZ TYR A 10 6.276 3.741 -2.273 1.00 0.00 C ATOM 152 OH TYR A 10 7.321 3.023 -1.813 1.00 0.00 O ATOM 0 H TYR A 10 3.120 8.376 -4.486 1.00 0.00 H new ATOM 0 HA TYR A 10 4.102 5.957 -5.801 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.755 6.767 -3.272 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.170 5.267 -3.964 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.321 3.894 -5.049 1.00 0.00 H new ATOM 0 HD2 TYR A 10 4.199 6.351 -1.513 1.00 0.00 H new ATOM 0 HE1 TYR A 10 6.157 2.549 -4.065 1.00 0.00 H new ATOM 0 HE2 TYR A 10 6.118 5.070 -0.571 1.00 0.00 H new ATOM 0 HH TYR A 10 7.699 3.464 -1.024 1.00 0.00 H new ATOM 162 N THR A 11 2.143 6.767 -7.426 1.00 0.00 N ATOM 163 CA THR A 11 1.182 6.553 -8.492 1.00 0.00 C ATOM 164 C THR A 11 0.546 5.181 -8.372 1.00 0.00 C ATOM 165 O THR A 11 1.203 4.217 -7.991 1.00 0.00 O ATOM 166 CB THR A 11 1.805 6.697 -9.880 1.00 0.00 C ATOM 167 OG1 THR A 11 2.734 5.704 -10.202 1.00 0.00 O ATOM 168 CG2 THR A 11 2.495 8.053 -10.086 1.00 0.00 C ATOM 0 H THR A 11 2.927 7.350 -7.720 1.00 0.00 H new ATOM 0 HA THR A 11 0.422 7.327 -8.382 1.00 0.00 H new ATOM 0 HB THR A 11 0.944 6.602 -10.542 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.636 6.087 -10.200 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.919 8.097 -11.089 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.766 8.854 -9.964 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.291 8.172 -9.351 1.00 0.00 H new ATOM 176 N GLU A 12 -0.726 5.101 -8.723 1.00 0.00 N ATOM 177 CA GLU A 12 -1.546 3.926 -8.463 1.00 0.00 C ATOM 178 C GLU A 12 -0.859 2.606 -8.851 1.00 0.00 C ATOM 179 O GLU A 12 -1.008 1.597 -8.158 1.00 0.00 O ATOM 180 CB GLU A 12 -2.886 4.093 -9.197 1.00 0.00 C ATOM 181 CG GLU A 12 -4.082 3.752 -8.304 1.00 0.00 C ATOM 182 CD GLU A 12 -5.161 2.909 -8.983 1.00 0.00 C ATOM 183 OE1 GLU A 12 -4.804 1.883 -9.603 1.00 0.00 O ATOM 184 OE2 GLU A 12 -6.356 3.222 -8.771 1.00 0.00 O ATOM 0 H GLU A 12 -1.224 5.853 -9.199 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.709 3.858 -7.387 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.979 5.120 -9.550 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.898 3.451 -10.078 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.722 3.218 -7.424 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.532 4.680 -7.952 1.00 0.00 H new ATOM 191 N THR A 13 -0.072 2.615 -9.933 1.00 0.00 N ATOM 192 CA THR A 13 0.663 1.433 -10.372 1.00 0.00 C ATOM 193 C THR A 13 1.990 1.263 -9.606 1.00 0.00 C ATOM 194 O THR A 13 2.390 0.130 -9.345 1.00 0.00 O ATOM 195 CB THR A 13 0.912 1.529 -11.890 1.00 0.00 C ATOM 196 OG1 THR A 13 -0.202 2.100 -12.560 1.00 0.00 O ATOM 197 CG2 THR A 13 1.183 0.158 -12.516 1.00 0.00 C ATOM 0 H THR A 13 0.070 3.436 -10.521 1.00 0.00 H new ATOM 0 HA THR A 13 0.062 0.550 -10.155 1.00 0.00 H new ATOM 0 HB THR A 13 1.790 2.163 -12.009 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.015 2.150 -13.521 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.353 0.274 -13.586 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.066 -0.285 -12.054 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.324 -0.493 -12.353 1.00 0.00 H new ATOM 205 N GLU A 14 2.692 2.335 -9.225 1.00 0.00 N ATOM 206 CA GLU A 14 3.885 2.220 -8.395 1.00 0.00 C ATOM 207 C GLU A 14 3.546 1.731 -6.981 1.00 0.00 C ATOM 208 O GLU A 14 4.244 0.844 -6.480 1.00 0.00 O ATOM 209 CB GLU A 14 4.637 3.556 -8.391 1.00 0.00 C ATOM 210 CG GLU A 14 5.168 3.842 -9.806 1.00 0.00 C ATOM 211 CD GLU A 14 5.877 5.194 -9.895 1.00 0.00 C ATOM 212 OE1 GLU A 14 5.214 6.229 -9.655 1.00 0.00 O ATOM 213 OE2 GLU A 14 7.094 5.240 -10.164 1.00 0.00 O ATOM 0 H GLU A 14 2.450 3.292 -9.481 1.00 0.00 H new ATOM 0 HA GLU A 14 4.543 1.463 -8.821 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.974 4.359 -8.069 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.463 3.520 -7.680 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.859 3.052 -10.100 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.340 3.821 -10.514 1.00 0.00 H new ATOM 220 N PHE A 15 2.474 2.231 -6.339 1.00 0.00 N ATOM 221 CA PHE A 15 2.089 1.679 -5.043 1.00 0.00 C ATOM 222 C PHE A 15 1.684 0.222 -5.194 1.00 0.00 C ATOM 223 O PHE A 15 2.058 -0.584 -4.357 1.00 0.00 O ATOM 224 CB PHE A 15 0.973 2.480 -4.362 1.00 0.00 C ATOM 225 CG PHE A 15 0.969 2.378 -2.840 1.00 0.00 C ATOM 226 CD1 PHE A 15 2.127 2.704 -2.108 1.00 0.00 C ATOM 227 CD2 PHE A 15 -0.180 1.981 -2.132 1.00 0.00 C ATOM 228 CE1 PHE A 15 2.116 2.719 -0.706 1.00 0.00 C ATOM 229 CE2 PHE A 15 -0.181 1.995 -0.724 1.00 0.00 C ATOM 230 CZ PHE A 15 0.943 2.429 0.000 1.00 0.00 C ATOM 0 H PHE A 15 1.884 2.987 -6.686 1.00 0.00 H new ATOM 0 HA PHE A 15 2.962 1.749 -4.394 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.069 3.528 -4.644 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.011 2.135 -4.741 1.00 0.00 H new ATOM 0 HD1 PHE A 15 3.038 2.946 -2.635 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.062 1.665 -2.669 1.00 0.00 H new ATOM 0 HE1 PHE A 15 3.021 2.956 -0.166 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.061 1.666 -0.191 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.902 2.536 1.074 1.00 0.00 H new ATOM 240 N LYS A 16 1.012 -0.158 -6.288 1.00 0.00 N ATOM 241 CA LYS A 16 0.788 -1.556 -6.613 1.00 0.00 C ATOM 242 C LYS A 16 2.080 -2.311 -6.530 1.00 0.00 C ATOM 243 O LYS A 16 2.054 -3.300 -5.837 1.00 0.00 O ATOM 244 CB LYS A 16 0.282 -1.659 -8.060 1.00 0.00 C ATOM 245 CG LYS A 16 -0.846 -2.660 -8.240 1.00 0.00 C ATOM 246 CD LYS A 16 -2.146 -1.914 -7.977 1.00 0.00 C ATOM 247 CE LYS A 16 -2.591 -1.103 -9.209 1.00 0.00 C ATOM 248 NZ LYS A 16 -3.978 -0.618 -9.104 1.00 0.00 N ATOM 0 H LYS A 16 0.614 0.496 -6.963 1.00 0.00 H new ATOM 0 HA LYS A 16 0.062 -1.970 -5.913 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.059 -0.677 -8.387 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.113 -1.940 -8.707 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.836 -3.075 -9.248 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.734 -3.496 -7.550 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.927 -2.625 -7.707 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.017 -1.244 -7.127 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.922 -0.252 -9.339 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.494 -1.723 -10.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.537 -0.991 -9.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.392 -0.942 -8.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.985 0.422 -9.133 1.00 0.00 H new ATOM 262 N LYS A 17 3.183 -1.923 -7.174 1.00 0.00 N ATOM 263 CA LYS A 17 4.341 -2.758 -7.161 1.00 0.00 C ATOM 264 C LYS A 17 4.798 -2.987 -5.723 1.00 0.00 C ATOM 265 O LYS A 17 5.113 -4.125 -5.429 1.00 0.00 O ATOM 266 CB LYS A 17 5.346 -2.090 -8.080 1.00 0.00 C ATOM 267 CG LYS A 17 6.629 -2.873 -8.256 1.00 0.00 C ATOM 268 CD LYS A 17 6.528 -4.312 -8.821 1.00 0.00 C ATOM 269 CE LYS A 17 6.415 -5.372 -7.713 1.00 0.00 C ATOM 270 NZ LYS A 17 6.468 -6.770 -8.185 1.00 0.00 N ATOM 0 H LYS A 17 3.279 -1.051 -7.695 1.00 0.00 H new ATOM 0 HA LYS A 17 4.167 -3.766 -7.538 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.887 -1.939 -9.057 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.585 -1.103 -7.685 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.283 -2.300 -8.914 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.123 -2.928 -7.286 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.660 -4.382 -9.476 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.406 -4.522 -9.432 1.00 0.00 H new ATOM 0 HE2 LYS A 17 7.221 -5.215 -6.996 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.478 -5.219 -7.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.575 -7.249 -7.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 6.610 -6.783 -9.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.257 -7.264 -7.720 1.00 0.00 H new ATOM 284 N ILE A 18 4.759 -2.005 -4.817 1.00 0.00 N ATOM 285 CA ILE A 18 5.052 -2.320 -3.405 1.00 0.00 C ATOM 286 C ILE A 18 4.068 -3.337 -2.846 1.00 0.00 C ATOM 287 O ILE A 18 4.475 -4.366 -2.315 1.00 0.00 O ATOM 288 CB ILE A 18 5.214 -1.052 -2.538 1.00 0.00 C ATOM 289 CG1 ILE A 18 6.484 -1.334 -1.698 1.00 0.00 C ATOM 290 CG2 ILE A 18 4.090 -0.479 -1.655 1.00 0.00 C ATOM 291 CD1 ILE A 18 6.748 -0.395 -0.533 1.00 0.00 C ATOM 0 H ILE A 18 4.539 -1.029 -5.015 1.00 0.00 H new ATOM 0 HA ILE A 18 6.029 -2.803 -3.368 1.00 0.00 H new ATOM 0 HB ILE A 18 5.233 -0.233 -3.257 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.417 -2.350 -1.309 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.347 -1.303 -2.363 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.448 0.415 -1.144 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.233 -0.222 -2.278 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.792 -1.224 -0.917 1.00 0.00 H new ATOM 0 HD11 ILE A 18 7.664 -0.695 -0.024 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.857 0.624 -0.904 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.913 -0.439 0.166 1.00 0.00 H new ATOM 303 N ILE A 19 2.786 -3.046 -3.024 1.00 0.00 N ATOM 304 CA ILE A 19 1.668 -3.791 -2.441 1.00 0.00 C ATOM 305 C ILE A 19 1.551 -5.230 -3.004 1.00 0.00 C ATOM 306 O ILE A 19 1.118 -6.172 -2.339 1.00 0.00 O ATOM 307 CB ILE A 19 0.428 -2.879 -2.604 1.00 0.00 C ATOM 308 CG1 ILE A 19 0.504 -1.602 -1.738 1.00 0.00 C ATOM 309 CG2 ILE A 19 -0.912 -3.540 -2.331 1.00 0.00 C ATOM 310 CD1 ILE A 19 0.803 -1.807 -0.259 1.00 0.00 C ATOM 0 H ILE A 19 2.481 -2.259 -3.597 1.00 0.00 H new ATOM 0 HA ILE A 19 1.807 -3.998 -1.380 1.00 0.00 H new ATOM 0 HB ILE A 19 0.468 -2.631 -3.665 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.272 -0.951 -2.155 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.445 -1.072 -1.825 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.712 -2.813 -2.474 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.053 -4.374 -3.018 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.934 -3.907 -1.305 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.831 -0.840 0.244 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.024 -2.426 0.187 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.768 -2.302 -0.148 1.00 0.00 H new ATOM 322 N GLU A 20 1.994 -5.443 -4.228 1.00 0.00 N ATOM 323 CA GLU A 20 2.104 -6.672 -4.937 1.00 0.00 C ATOM 324 C GLU A 20 3.312 -7.438 -4.456 1.00 0.00 C ATOM 325 O GLU A 20 3.171 -8.604 -4.110 1.00 0.00 O ATOM 326 CB GLU A 20 2.269 -6.203 -6.378 1.00 0.00 C ATOM 327 CG GLU A 20 2.121 -7.215 -7.488 1.00 0.00 C ATOM 328 CD GLU A 20 3.402 -7.289 -8.325 1.00 0.00 C ATOM 329 OE1 GLU A 20 3.755 -6.299 -9.004 1.00 0.00 O ATOM 330 OE2 GLU A 20 4.146 -8.285 -8.214 1.00 0.00 O ATOM 0 H GLU A 20 2.317 -4.662 -4.799 1.00 0.00 H new ATOM 0 HA GLU A 20 1.258 -7.347 -4.806 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.542 -5.410 -6.554 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.258 -5.754 -6.469 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.899 -8.195 -7.066 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.279 -6.944 -8.125 1.00 0.00 H new ATOM 337 N ASP A 21 4.484 -6.803 -4.444 1.00 0.00 N ATOM 338 CA ASP A 21 5.750 -7.490 -4.146 1.00 0.00 C ATOM 339 C ASP A 21 5.669 -8.205 -2.797 1.00 0.00 C ATOM 340 O ASP A 21 6.137 -9.338 -2.652 1.00 0.00 O ATOM 341 CB ASP A 21 6.954 -6.528 -4.186 1.00 0.00 C ATOM 342 CG ASP A 21 8.141 -7.118 -4.944 1.00 0.00 C ATOM 343 OD1 ASP A 21 7.930 -7.596 -6.083 1.00 0.00 O ATOM 344 OD2 ASP A 21 9.283 -6.978 -4.459 1.00 0.00 O ATOM 0 H ASP A 21 4.587 -5.807 -4.638 1.00 0.00 H new ATOM 0 HA ASP A 21 5.908 -8.234 -4.926 1.00 0.00 H new ATOM 0 HB2 ASP A 21 6.653 -5.592 -4.657 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.259 -6.288 -3.167 1.00 0.00 H new ATOM 349 N ILE A 22 4.982 -7.570 -1.843 1.00 0.00 N ATOM 350 CA ILE A 22 4.608 -8.168 -0.574 1.00 0.00 C ATOM 351 C ILE A 22 3.618 -9.315 -0.705 1.00 0.00 C ATOM 352 O ILE A 22 3.917 -10.400 -0.226 1.00 0.00 O ATOM 353 CB ILE A 22 4.077 -7.119 0.407 1.00 0.00 C ATOM 354 CG1 ILE A 22 2.907 -6.237 -0.028 1.00 0.00 C ATOM 355 CG2 ILE A 22 5.260 -6.248 0.844 1.00 0.00 C ATOM 356 CD1 ILE A 22 2.521 -5.089 0.902 1.00 0.00 C ATOM 0 H ILE A 22 4.667 -6.605 -1.941 1.00 0.00 H new ATOM 0 HA ILE A 22 5.529 -8.594 -0.176 1.00 0.00 H new ATOM 0 HB ILE A 22 3.631 -7.700 1.215 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.145 -5.816 -1.005 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.033 -6.875 -0.160 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.913 -5.489 1.545 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.012 -6.872 1.327 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.697 -5.763 -0.029 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.679 -4.544 0.477 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.240 -5.489 1.876 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.369 -4.414 1.018 1.00 0.00 H new ATOM 368 N ILE A 23 2.435 -9.083 -1.273 1.00 0.00 N ATOM 369 CA ILE A 23 1.419 -10.143 -1.399 1.00 0.00 C ATOM 370 C ILE A 23 1.953 -11.389 -2.143 1.00 0.00 C ATOM 371 O ILE A 23 1.598 -12.508 -1.780 1.00 0.00 O ATOM 372 CB ILE A 23 0.132 -9.575 -2.041 1.00 0.00 C ATOM 373 CG1 ILE A 23 -0.598 -8.572 -1.110 1.00 0.00 C ATOM 374 CG2 ILE A 23 -0.863 -10.670 -2.480 1.00 0.00 C ATOM 375 CD1 ILE A 23 -1.261 -9.161 0.144 1.00 0.00 C ATOM 0 H ILE A 23 2.152 -8.180 -1.653 1.00 0.00 H new ATOM 0 HA ILE A 23 1.169 -10.490 -0.397 1.00 0.00 H new ATOM 0 HB ILE A 23 0.477 -9.051 -2.932 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.120 -7.815 -0.793 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.364 -8.060 -1.693 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.744 -10.205 -2.922 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.388 -11.320 -3.215 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.161 -11.260 -1.613 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.738 -8.363 0.713 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.012 -9.894 -0.152 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.505 -9.645 0.762 1.00 0.00 H new ATOM 387 N ASN A 24 2.809 -11.235 -3.161 1.00 0.00 N ATOM 388 CA ASN A 24 3.522 -12.284 -3.854 1.00 0.00 C ATOM 389 C ASN A 24 4.379 -13.062 -2.871 1.00 0.00 C ATOM 390 O ASN A 24 4.422 -14.289 -2.897 1.00 0.00 O ATOM 391 CB ASN A 24 4.471 -11.552 -4.795 1.00 0.00 C ATOM 392 CG ASN A 24 3.954 -11.340 -6.186 1.00 0.00 C ATOM 393 OD1 ASN A 24 4.146 -12.138 -7.097 1.00 0.00 O ATOM 394 ND2 ASN A 24 3.347 -10.192 -6.337 1.00 0.00 N ATOM 0 H ASN A 24 3.027 -10.312 -3.536 1.00 0.00 H new ATOM 0 HA ASN A 24 2.838 -12.968 -4.356 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.709 -10.581 -4.361 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.404 -12.113 -4.853 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.001 -9.915 -7.256 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.220 -9.573 -5.536 1.00 0.00 H new ATOM 401 N CYS A 25 5.086 -12.272 -2.065 1.00 0.00 N ATOM 402 CA CYS A 25 5.962 -12.614 -0.940 1.00 0.00 C ATOM 403 C CYS A 25 7.396 -12.803 -1.439 1.00 0.00 C ATOM 404 O CYS A 25 8.071 -13.766 -1.077 1.00 0.00 O ATOM 405 CB CYS A 25 5.468 -13.820 -0.115 1.00 0.00 C ATOM 406 SG CYS A 25 3.842 -13.517 0.645 1.00 0.00 S ATOM 0 H CYS A 25 5.057 -11.261 -2.198 1.00 0.00 H new ATOM 0 HA CYS A 25 5.938 -11.776 -0.244 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.408 -14.698 -0.759 1.00 0.00 H new ATOM 0 HB3 CYS A 25 6.195 -14.046 0.665 1.00 0.00 H new ATOM 0 HG CYS A 25 3.504 -12.275 0.465 1.00 0.00 H new ATOM 411 N GLU A 26 7.854 -11.900 -2.305 1.00 0.00 N ATOM 412 CA GLU A 26 9.204 -11.871 -2.799 1.00 0.00 C ATOM 413 C GLU A 26 10.173 -11.638 -1.625 1.00 0.00 C ATOM 414 O GLU A 26 9.938 -10.765 -0.785 1.00 0.00 O ATOM 415 CB GLU A 26 9.296 -10.798 -3.899 1.00 0.00 C ATOM 416 CG GLU A 26 10.324 -11.127 -4.989 1.00 0.00 C ATOM 417 CD GLU A 26 11.750 -11.284 -4.456 1.00 0.00 C ATOM 418 OE1 GLU A 26 12.365 -10.243 -4.123 1.00 0.00 O ATOM 419 OE2 GLU A 26 12.200 -12.444 -4.333 1.00 0.00 O ATOM 0 H GLU A 26 7.270 -11.154 -2.684 1.00 0.00 H new ATOM 0 HA GLU A 26 9.491 -12.822 -3.248 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.316 -10.676 -4.360 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.555 -9.842 -3.443 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.028 -12.049 -5.490 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.310 -10.337 -5.740 1.00 0.00 H new ATOM 426 N GLY A 27 11.283 -12.373 -1.593 1.00 0.00 N ATOM 427 CA GLY A 27 12.374 -12.197 -0.650 1.00 0.00 C ATOM 428 C GLY A 27 12.191 -13.000 0.630 1.00 0.00 C ATOM 429 O GLY A 27 12.594 -14.161 0.674 1.00 0.00 O ATOM 0 H GLY A 27 11.449 -13.135 -2.250 1.00 0.00 H new ATOM 0 HA2 GLY A 27 13.309 -12.491 -1.126 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.463 -11.140 -0.399 1.00 0.00 H new ATOM 433 N ASP A 28 11.696 -12.372 1.700 1.00 0.00 N ATOM 434 CA ASP A 28 11.688 -12.829 3.049 1.00 0.00 C ATOM 435 C ASP A 28 10.613 -11.987 3.742 1.00 0.00 C ATOM 436 O ASP A 28 10.165 -10.943 3.263 1.00 0.00 O ATOM 437 CB ASP A 28 13.072 -12.545 3.652 1.00 0.00 C ATOM 438 CG ASP A 28 13.126 -12.876 5.140 1.00 0.00 C ATOM 439 OD1 ASP A 28 12.672 -13.979 5.509 1.00 0.00 O ATOM 440 OD2 ASP A 28 13.517 -11.974 5.911 1.00 0.00 O ATOM 0 H ASP A 28 11.259 -11.455 1.612 1.00 0.00 H new ATOM 0 HA ASP A 28 11.482 -13.894 3.152 1.00 0.00 H new ATOM 0 HB2 ASP A 28 13.825 -13.130 3.123 1.00 0.00 H new ATOM 0 HB3 ASP A 28 13.323 -11.495 3.505 1.00 0.00 H new ATOM 445 N GLU A 29 10.273 -12.432 4.925 1.00 0.00 N ATOM 446 CA GLU A 29 9.614 -11.762 6.012 1.00 0.00 C ATOM 447 C GLU A 29 10.076 -10.315 6.103 1.00 0.00 C ATOM 448 O GLU A 29 9.265 -9.404 5.970 1.00 0.00 O ATOM 449 CB GLU A 29 9.927 -12.557 7.298 1.00 0.00 C ATOM 450 CG GLU A 29 8.760 -12.419 8.259 1.00 0.00 C ATOM 451 CD GLU A 29 9.140 -12.681 9.726 1.00 0.00 C ATOM 452 OE1 GLU A 29 9.282 -13.860 10.112 1.00 0.00 O ATOM 453 OE2 GLU A 29 9.316 -11.680 10.465 1.00 0.00 O ATOM 0 H GLU A 29 10.480 -13.398 5.178 1.00 0.00 H new ATOM 0 HA GLU A 29 8.535 -11.728 5.860 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.097 -13.607 7.060 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.841 -12.183 7.759 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.345 -11.415 8.173 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.974 -13.115 7.966 1.00 0.00 H new ATOM 460 N LYS A 30 11.371 -10.061 6.300 1.00 0.00 N ATOM 461 CA LYS A 30 11.861 -8.730 6.561 1.00 0.00 C ATOM 462 C LYS A 30 11.699 -7.748 5.433 1.00 0.00 C ATOM 463 O LYS A 30 11.538 -6.560 5.662 1.00 0.00 O ATOM 464 CB LYS A 30 13.317 -8.920 6.887 1.00 0.00 C ATOM 465 CG LYS A 30 13.453 -9.762 8.171 1.00 0.00 C ATOM 466 CD LYS A 30 12.795 -9.177 9.439 1.00 0.00 C ATOM 467 CE LYS A 30 11.413 -9.837 9.594 1.00 0.00 C ATOM 468 NZ LYS A 30 10.581 -9.323 10.697 1.00 0.00 N ATOM 0 H LYS A 30 12.097 -10.777 6.281 1.00 0.00 H new ATOM 0 HA LYS A 30 11.275 -8.284 7.365 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.824 -9.416 6.059 1.00 0.00 H new ATOM 0 HB3 LYS A 30 13.799 -7.952 7.022 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.022 -10.746 7.984 1.00 0.00 H new ATOM 0 HG3 LYS A 30 14.514 -9.912 8.373 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.413 -9.372 10.316 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.695 -8.095 9.354 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.864 -9.712 8.661 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.556 -10.908 9.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.809 -9.992 10.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.165 -9.213 11.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.181 -8.401 10.430 1.00 0.00 H new ATOM 482 N LYS A 31 11.753 -8.236 4.214 1.00 0.00 N ATOM 483 CA LYS A 31 11.426 -7.508 3.046 1.00 0.00 C ATOM 484 C LYS A 31 9.966 -7.034 3.126 1.00 0.00 C ATOM 485 O LYS A 31 9.729 -5.851 2.882 1.00 0.00 O ATOM 486 CB LYS A 31 11.795 -8.395 1.846 1.00 0.00 C ATOM 487 CG LYS A 31 11.092 -7.844 0.632 1.00 0.00 C ATOM 488 CD LYS A 31 11.781 -8.131 -0.701 1.00 0.00 C ATOM 489 CE LYS A 31 10.791 -7.809 -1.817 1.00 0.00 C ATOM 490 NZ LYS A 31 11.397 -7.931 -3.154 1.00 0.00 N ATOM 0 H LYS A 31 12.041 -9.195 4.020 1.00 0.00 H new ATOM 0 HA LYS A 31 11.991 -6.583 2.931 1.00 0.00 H new ATOM 0 HB2 LYS A 31 12.874 -8.401 1.693 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.493 -9.427 2.027 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.083 -8.255 0.598 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.993 -6.765 0.747 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.682 -7.526 -0.803 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.090 -9.175 -0.754 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.935 -8.481 -1.746 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.413 -6.796 -1.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.739 -7.559 -3.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.284 -7.389 -3.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.596 -8.932 -3.355 1.00 0.00 H new ATOM 504 N GLN A 32 8.990 -7.898 3.439 1.00 0.00 N ATOM 505 CA GLN A 32 7.620 -7.408 3.543 1.00 0.00 C ATOM 506 C GLN A 32 7.423 -6.549 4.798 1.00 0.00 C ATOM 507 O GLN A 32 6.606 -5.640 4.744 1.00 0.00 O ATOM 508 CB GLN A 32 6.563 -8.508 3.355 1.00 0.00 C ATOM 509 CG GLN A 32 6.627 -9.706 4.307 1.00 0.00 C ATOM 510 CD GLN A 32 5.393 -10.592 4.124 1.00 0.00 C ATOM 511 OE1 GLN A 32 4.451 -10.559 4.912 1.00 0.00 O ATOM 512 NE2 GLN A 32 5.354 -11.372 3.054 1.00 0.00 N ATOM 0 H GLN A 32 9.118 -8.894 3.616 1.00 0.00 H new ATOM 0 HA GLN A 32 7.453 -6.742 2.696 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.578 -8.051 3.452 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.642 -8.882 2.334 1.00 0.00 H new ATOM 0 HG2 GLN A 32 7.531 -10.284 4.115 1.00 0.00 H new ATOM 0 HG3 GLN A 32 6.684 -9.358 5.338 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.143 -11.390 2.407 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.535 -11.954 2.877 1.00 0.00 H new ATOM 521 N ASP A 33 8.190 -6.768 5.871 1.00 0.00 N ATOM 522 CA ASP A 33 8.253 -5.935 7.091 1.00 0.00 C ATOM 523 C ASP A 33 8.731 -4.509 6.796 1.00 0.00 C ATOM 524 O ASP A 33 8.165 -3.533 7.282 1.00 0.00 O ATOM 525 CB ASP A 33 9.227 -6.605 8.078 1.00 0.00 C ATOM 526 CG ASP A 33 8.981 -6.363 9.566 1.00 0.00 C ATOM 527 OD1 ASP A 33 7.852 -6.016 9.964 1.00 0.00 O ATOM 528 OD2 ASP A 33 9.914 -6.729 10.325 1.00 0.00 O ATOM 0 H ASP A 33 8.818 -7.570 5.921 1.00 0.00 H new ATOM 0 HA ASP A 33 7.250 -5.859 7.510 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.203 -7.680 7.901 1.00 0.00 H new ATOM 0 HB3 ASP A 33 10.236 -6.266 7.842 1.00 0.00 H new ATOM 533 N ASP A 34 9.753 -4.393 5.947 1.00 0.00 N ATOM 534 CA ASP A 34 10.354 -3.129 5.508 1.00 0.00 C ATOM 535 C ASP A 34 9.352 -2.352 4.659 1.00 0.00 C ATOM 536 O ASP A 34 9.126 -1.161 4.889 1.00 0.00 O ATOM 537 CB ASP A 34 11.651 -3.394 4.715 1.00 0.00 C ATOM 538 CG ASP A 34 12.293 -2.136 4.102 1.00 0.00 C ATOM 539 OD1 ASP A 34 11.869 -1.671 3.019 1.00 0.00 O ATOM 540 OD2 ASP A 34 13.322 -1.649 4.625 1.00 0.00 O ATOM 0 H ASP A 34 10.203 -5.207 5.529 1.00 0.00 H new ATOM 0 HA ASP A 34 10.611 -2.533 6.384 1.00 0.00 H new ATOM 0 HB2 ASP A 34 12.375 -3.871 5.376 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.435 -4.102 3.915 1.00 0.00 H new ATOM 545 N ASN A 35 8.660 -3.055 3.748 1.00 0.00 N ATOM 546 CA ASN A 35 7.437 -2.523 3.159 1.00 0.00 C ATOM 547 C ASN A 35 6.460 -2.136 4.252 1.00 0.00 C ATOM 548 O ASN A 35 5.816 -1.118 4.098 1.00 0.00 O ATOM 549 CB ASN A 35 6.743 -3.492 2.180 1.00 0.00 C ATOM 550 CG ASN A 35 5.252 -3.168 2.054 1.00 0.00 C ATOM 551 OD1 ASN A 35 4.836 -2.428 1.175 1.00 0.00 O ATOM 552 ND2 ASN A 35 4.414 -3.701 2.933 1.00 0.00 N ATOM 0 H ASN A 35 8.928 -3.980 3.412 1.00 0.00 H new ATOM 0 HA ASN A 35 7.739 -1.651 2.580 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.217 -3.427 1.201 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.868 -4.518 2.527 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.417 -3.494 2.877 1.00 0.00 H new ATOM 0 HD22 ASN A 35 4.767 -4.318 3.665 1.00 0.00 H new ATOM 559 N LEU A 36 6.218 -2.953 5.271 1.00 0.00 N ATOM 560 CA LEU A 36 5.061 -2.794 6.118 1.00 0.00 C ATOM 561 C LEU A 36 5.079 -1.506 6.913 1.00 0.00 C ATOM 562 O LEU A 36 4.088 -0.782 6.909 1.00 0.00 O ATOM 563 CB LEU A 36 4.840 -4.090 6.908 1.00 0.00 C ATOM 564 CG LEU A 36 3.801 -5.005 6.247 1.00 0.00 C ATOM 565 CD1 LEU A 36 3.612 -6.263 7.095 1.00 0.00 C ATOM 566 CD2 LEU A 36 2.438 -4.351 5.979 1.00 0.00 C ATOM 0 H LEU A 36 6.819 -3.737 5.525 1.00 0.00 H new ATOM 0 HA LEU A 36 4.166 -2.655 5.512 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.786 -4.624 6.998 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.515 -3.845 7.919 1.00 0.00 H new ATOM 0 HG LEU A 36 4.206 -5.247 5.264 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.874 -6.912 6.624 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.561 -6.793 7.177 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.266 -5.983 8.090 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.772 -5.076 5.511 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.004 -4.015 6.921 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.569 -3.497 5.315 1.00 0.00 H new ATOM 578 N GLU A 37 6.224 -1.155 7.470 1.00 0.00 N ATOM 579 CA GLU A 37 6.435 0.165 8.076 1.00 0.00 C ATOM 580 C GLU A 37 6.249 1.261 7.019 1.00 0.00 C ATOM 581 O GLU A 37 5.614 2.285 7.280 1.00 0.00 O ATOM 582 CB GLU A 37 7.816 0.242 8.760 1.00 0.00 C ATOM 583 CG GLU A 37 7.943 1.558 9.557 1.00 0.00 C ATOM 584 CD GLU A 37 9.229 1.672 10.389 1.00 0.00 C ATOM 585 OE1 GLU A 37 10.294 1.931 9.785 1.00 0.00 O ATOM 586 OE2 GLU A 37 9.127 1.576 11.635 1.00 0.00 O ATOM 0 H GLU A 37 7.037 -1.769 7.520 1.00 0.00 H new ATOM 0 HA GLU A 37 5.690 0.325 8.855 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.948 -0.610 9.427 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.605 0.185 8.010 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.899 2.396 8.861 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.084 1.650 10.222 1.00 0.00 H new ATOM 593 N HIS A 38 6.729 1.044 5.796 1.00 0.00 N ATOM 594 CA HIS A 38 6.565 1.985 4.700 1.00 0.00 C ATOM 595 C HIS A 38 5.089 2.182 4.322 1.00 0.00 C ATOM 596 O HIS A 38 4.636 3.307 4.146 1.00 0.00 O ATOM 597 CB HIS A 38 7.387 1.498 3.508 1.00 0.00 C ATOM 598 CG HIS A 38 7.646 2.587 2.530 1.00 0.00 C ATOM 599 ND1 HIS A 38 8.456 3.677 2.754 1.00 0.00 N ATOM 600 CD2 HIS A 38 7.126 2.665 1.272 1.00 0.00 C ATOM 601 CE1 HIS A 38 8.470 4.401 1.630 1.00 0.00 C ATOM 602 NE2 HIS A 38 7.692 3.815 0.708 1.00 0.00 N ATOM 0 H HIS A 38 7.246 0.203 5.540 1.00 0.00 H new ATOM 0 HA HIS A 38 6.927 2.963 5.018 1.00 0.00 H new ATOM 0 HB2 HIS A 38 8.336 1.095 3.862 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.860 0.683 3.012 1.00 0.00 H new ATOM 0 HD1 HIS A 38 8.954 3.893 3.618 1.00 0.00 H new ATOM 0 HD2 HIS A 38 6.427 1.985 0.809 1.00 0.00 H new ATOM 0 HE1 HIS A 38 9.023 5.317 1.487 1.00 0.00 H new ATOM 610 N PHE A 39 4.325 1.102 4.215 1.00 0.00 N ATOM 611 CA PHE A 39 2.887 1.011 3.992 1.00 0.00 C ATOM 612 C PHE A 39 2.078 1.639 5.131 1.00 0.00 C ATOM 613 O PHE A 39 0.889 1.915 4.962 1.00 0.00 O ATOM 614 CB PHE A 39 2.554 -0.472 3.815 1.00 0.00 C ATOM 615 CG PHE A 39 1.079 -0.779 3.649 1.00 0.00 C ATOM 616 CD1 PHE A 39 0.385 -0.221 2.566 1.00 0.00 C ATOM 617 CD2 PHE A 39 0.401 -1.627 4.545 1.00 0.00 C ATOM 618 CE1 PHE A 39 -0.952 -0.564 2.315 1.00 0.00 C ATOM 619 CE2 PHE A 39 -0.949 -1.948 4.313 1.00 0.00 C ATOM 620 CZ PHE A 39 -1.623 -1.420 3.203 1.00 0.00 C ATOM 0 H PHE A 39 4.740 0.173 4.290 1.00 0.00 H new ATOM 0 HA PHE A 39 2.613 1.577 3.102 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.089 -0.848 2.943 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.929 -1.019 4.680 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.886 0.482 1.917 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.914 -2.029 5.406 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.461 -0.173 1.446 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.469 -2.605 4.994 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.659 -1.672 3.031 1.00 0.00 H new ATOM 630 N ILE A 40 2.687 1.906 6.281 1.00 0.00 N ATOM 631 CA ILE A 40 2.129 2.900 7.199 1.00 0.00 C ATOM 632 C ILE A 40 2.570 4.265 6.688 1.00 0.00 C ATOM 633 O ILE A 40 1.729 5.128 6.443 1.00 0.00 O ATOM 634 CB ILE A 40 2.542 2.709 8.690 1.00 0.00 C ATOM 635 CG1 ILE A 40 1.700 1.619 9.374 1.00 0.00 C ATOM 636 CG2 ILE A 40 2.321 3.979 9.544 1.00 0.00 C ATOM 637 CD1 ILE A 40 2.151 0.254 8.904 1.00 0.00 C ATOM 0 H ILE A 40 3.548 1.461 6.598 1.00 0.00 H new ATOM 0 HA ILE A 40 1.045 2.790 7.206 1.00 0.00 H new ATOM 0 HB ILE A 40 3.600 2.449 8.645 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.802 1.693 10.457 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.645 1.763 9.143 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.627 3.784 10.572 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.914 4.798 9.138 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.266 4.251 9.525 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.552 -0.515 9.391 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.026 0.181 7.824 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.201 0.110 9.158 1.00 0.00 H new ATOM 649 N SER A 41 3.883 4.448 6.551 1.00 0.00 N ATOM 650 CA SER A 41 4.498 5.744 6.531 1.00 0.00 C ATOM 651 C SER A 41 4.264 6.642 5.304 1.00 0.00 C ATOM 652 O SER A 41 4.326 7.860 5.480 1.00 0.00 O ATOM 653 CB SER A 41 5.999 5.598 6.806 1.00 0.00 C ATOM 654 OG SER A 41 6.548 6.853 7.172 1.00 0.00 O ATOM 0 H SER A 41 4.546 3.679 6.450 1.00 0.00 H new ATOM 0 HA SER A 41 3.977 6.286 7.321 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.162 4.873 7.604 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.504 5.215 5.919 1.00 0.00 H new ATOM 0 HG SER A 41 6.027 7.572 6.757 1.00 0.00 H new ATOM 660 N VAL A 42 4.101 6.150 4.066 1.00 0.00 N ATOM 661 CA VAL A 42 3.717 6.971 2.953 1.00 0.00 C ATOM 662 C VAL A 42 2.219 7.272 3.024 1.00 0.00 C ATOM 663 O VAL A 42 1.769 8.358 2.634 1.00 0.00 O ATOM 664 CB VAL A 42 4.141 6.280 1.675 1.00 0.00 C ATOM 665 CG1 VAL A 42 5.479 6.858 1.204 1.00 0.00 C ATOM 666 CG2 VAL A 42 4.142 4.759 1.597 1.00 0.00 C ATOM 0 H VAL A 42 4.237 5.167 3.829 1.00 0.00 H new ATOM 0 HA VAL A 42 4.219 7.938 2.979 1.00 0.00 H new ATOM 0 HB VAL A 42 3.316 6.509 1.000 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.786 6.361 0.284 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.369 7.927 1.020 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.235 6.698 1.972 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.474 4.446 0.607 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.818 4.356 2.351 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.134 4.385 1.777 1.00 0.00 H new ATOM 676 N THR A 43 1.450 6.286 3.477 1.00 0.00 N ATOM 677 CA THR A 43 0.036 6.346 3.761 1.00 0.00 C ATOM 678 C THR A 43 -0.160 7.217 5.015 1.00 0.00 C ATOM 679 O THR A 43 0.763 7.830 5.538 1.00 0.00 O ATOM 680 CB THR A 43 -0.525 4.895 3.807 1.00 0.00 C ATOM 681 OG1 THR A 43 0.484 3.950 3.510 1.00 0.00 O ATOM 682 CG2 THR A 43 -1.493 4.661 2.658 1.00 0.00 C ATOM 0 H THR A 43 1.836 5.361 3.666 1.00 0.00 H new ATOM 0 HA THR A 43 -0.553 6.835 2.985 1.00 0.00 H new ATOM 0 HB THR A 43 -0.961 4.785 4.800 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.289 3.107 3.970 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.875 3.641 2.706 1.00 0.00 H new ATOM 0 HG22 THR A 43 -2.323 5.364 2.733 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.976 4.810 1.710 1.00 0.00 H new ATOM 690 N GLU A 44 -1.409 7.396 5.431 1.00 0.00 N ATOM 691 CA GLU A 44 -1.731 7.777 6.785 1.00 0.00 C ATOM 692 C GLU A 44 -2.753 6.753 7.307 1.00 0.00 C ATOM 693 O GLU A 44 -3.428 7.012 8.295 1.00 0.00 O ATOM 694 CB GLU A 44 -2.221 9.238 6.946 1.00 0.00 C ATOM 695 CG GLU A 44 -1.341 10.403 6.431 1.00 0.00 C ATOM 696 CD GLU A 44 -1.786 11.028 5.095 1.00 0.00 C ATOM 697 OE1 GLU A 44 -2.946 10.815 4.669 1.00 0.00 O ATOM 698 OE2 GLU A 44 -0.955 11.690 4.423 1.00 0.00 O ATOM 0 H GLU A 44 -2.224 7.278 4.829 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.819 7.761 7.381 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.187 9.314 6.447 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.397 9.407 8.008 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.323 11.185 7.190 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.318 10.042 6.321 1.00 0.00 H new ATOM 705 N HIS A 45 -2.927 5.628 6.588 1.00 0.00 N ATOM 706 CA HIS A 45 -4.049 4.719 6.715 1.00 0.00 C ATOM 707 C HIS A 45 -3.898 3.970 8.056 1.00 0.00 C ATOM 708 O HIS A 45 -3.044 3.088 8.146 1.00 0.00 O ATOM 709 CB HIS A 45 -4.137 3.780 5.486 1.00 0.00 C ATOM 710 CG HIS A 45 -5.398 2.917 5.563 1.00 0.00 C ATOM 711 ND1 HIS A 45 -5.654 2.076 6.627 1.00 0.00 N ATOM 712 CD2 HIS A 45 -6.529 2.902 4.761 1.00 0.00 C ATOM 713 CE1 HIS A 45 -6.923 1.653 6.541 1.00 0.00 C ATOM 714 NE2 HIS A 45 -7.491 2.134 5.428 1.00 0.00 N ATOM 0 H HIS A 45 -2.257 5.329 5.880 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.996 5.259 6.729 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.148 4.370 4.570 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.254 3.142 5.444 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -6.646 3.390 3.804 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.415 1.018 7.263 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -8.450 1.971 5.122 1.00 0.00 H new ATOM 722 N PRO A 46 -4.712 4.272 9.085 1.00 0.00 N ATOM 723 CA PRO A 46 -4.451 3.923 10.478 1.00 0.00 C ATOM 724 C PRO A 46 -4.312 2.423 10.723 1.00 0.00 C ATOM 725 O PRO A 46 -3.529 2.019 11.575 1.00 0.00 O ATOM 726 CB PRO A 46 -5.607 4.528 11.293 1.00 0.00 C ATOM 727 CG PRO A 46 -6.659 4.957 10.265 1.00 0.00 C ATOM 728 CD PRO A 46 -5.860 5.142 8.998 1.00 0.00 C ATOM 0 HA PRO A 46 -3.485 4.326 10.782 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.017 3.799 11.992 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.267 5.379 11.883 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.434 4.200 10.144 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.158 5.879 10.563 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.463 4.896 8.124 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.548 6.181 8.888 1.00 0.00 H new ATOM 736 N SER A 47 -5.069 1.609 9.990 1.00 0.00 N ATOM 737 CA SER A 47 -5.083 0.165 10.138 1.00 0.00 C ATOM 738 C SER A 47 -3.749 -0.500 9.744 1.00 0.00 C ATOM 739 O SER A 47 -3.447 -1.587 10.234 1.00 0.00 O ATOM 740 CB SER A 47 -6.252 -0.355 9.294 1.00 0.00 C ATOM 741 OG SER A 47 -7.434 0.391 9.535 1.00 0.00 O ATOM 0 H SER A 47 -5.700 1.947 9.264 1.00 0.00 H new ATOM 0 HA SER A 47 -5.213 -0.094 11.189 1.00 0.00 H new ATOM 0 HB2 SER A 47 -5.993 -0.299 8.237 1.00 0.00 H new ATOM 0 HB3 SER A 47 -6.430 -1.406 9.523 1.00 0.00 H new ATOM 0 HG SER A 47 -8.162 0.038 8.982 1.00 0.00 H new ATOM 747 N GLY A 48 -2.928 0.137 8.896 1.00 0.00 N ATOM 748 CA GLY A 48 -1.702 -0.463 8.385 1.00 0.00 C ATOM 749 C GLY A 48 -1.962 -1.855 7.808 1.00 0.00 C ATOM 750 O GLY A 48 -2.892 -2.061 7.025 1.00 0.00 O ATOM 0 H GLY A 48 -3.101 1.081 8.550 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.275 0.178 7.614 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.967 -0.531 9.187 1.00 0.00 H new ATOM 754 N SER A 49 -1.123 -2.800 8.223 1.00 0.00 N ATOM 755 CA SER A 49 -1.049 -4.196 7.796 1.00 0.00 C ATOM 756 C SER A 49 -2.349 -4.991 7.979 1.00 0.00 C ATOM 757 O SER A 49 -2.476 -6.084 7.435 1.00 0.00 O ATOM 758 CB SER A 49 0.077 -4.893 8.583 1.00 0.00 C ATOM 759 OG SER A 49 1.070 -3.977 9.033 1.00 0.00 O ATOM 0 H SER A 49 -0.416 -2.591 8.928 1.00 0.00 H new ATOM 0 HA SER A 49 -0.855 -4.178 6.724 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.350 -5.412 9.441 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.543 -5.650 7.952 1.00 0.00 H new ATOM 0 HG SER A 49 1.763 -4.462 9.528 1.00 0.00 H new ATOM 765 N ASP A 50 -3.319 -4.462 8.718 1.00 0.00 N ATOM 766 CA ASP A 50 -4.674 -4.994 8.844 1.00 0.00 C ATOM 767 C ASP A 50 -5.323 -5.200 7.474 1.00 0.00 C ATOM 768 O ASP A 50 -5.898 -6.254 7.222 1.00 0.00 O ATOM 769 CB ASP A 50 -5.443 -3.978 9.684 1.00 0.00 C ATOM 770 CG ASP A 50 -6.951 -4.191 9.766 1.00 0.00 C ATOM 771 OD1 ASP A 50 -7.361 -4.995 10.629 1.00 0.00 O ATOM 772 OD2 ASP A 50 -7.658 -3.431 9.066 1.00 0.00 O ATOM 0 H ASP A 50 -3.178 -3.615 9.269 1.00 0.00 H new ATOM 0 HA ASP A 50 -4.673 -5.976 9.317 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.038 -3.990 10.696 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.257 -2.984 9.278 1.00 0.00 H new ATOM 777 N LEU A 51 -5.100 -4.283 6.524 1.00 0.00 N ATOM 778 CA LEU A 51 -5.619 -4.389 5.166 1.00 0.00 C ATOM 779 C LEU A 51 -5.003 -5.543 4.375 1.00 0.00 C ATOM 780 O LEU A 51 -5.478 -5.845 3.283 1.00 0.00 O ATOM 781 CB LEU A 51 -5.274 -3.091 4.436 1.00 0.00 C ATOM 782 CG LEU A 51 -5.963 -1.829 4.974 1.00 0.00 C ATOM 783 CD1 LEU A 51 -5.439 -0.664 4.138 1.00 0.00 C ATOM 784 CD2 LEU A 51 -7.490 -1.901 4.873 1.00 0.00 C ATOM 0 H LEU A 51 -4.548 -3.440 6.684 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.692 -4.571 5.235 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.195 -2.943 4.483 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.534 -3.206 3.384 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.738 -1.712 6.034 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.898 0.264 4.479 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.357 -0.595 4.248 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.688 -0.828 3.089 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.924 -0.982 5.268 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.780 -2.021 3.829 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.853 -2.751 5.450 1.00 0.00 H new ATOM 796 N ILE A 52 -3.927 -6.141 4.882 1.00 0.00 N ATOM 797 CA ILE A 52 -3.121 -7.146 4.209 1.00 0.00 C ATOM 798 C ILE A 52 -3.327 -8.495 4.912 1.00 0.00 C ATOM 799 O ILE A 52 -3.367 -9.525 4.242 1.00 0.00 O ATOM 800 CB ILE A 52 -1.667 -6.644 4.159 1.00 0.00 C ATOM 801 CG1 ILE A 52 -1.547 -5.554 3.070 1.00 0.00 C ATOM 802 CG2 ILE A 52 -0.579 -7.722 4.000 1.00 0.00 C ATOM 803 CD1 ILE A 52 -0.193 -4.846 3.082 1.00 0.00 C ATOM 0 H ILE A 52 -3.581 -5.925 5.817 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.419 -7.308 3.173 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.462 -6.235 5.148 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.706 -6.007 2.091 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.338 -4.817 3.212 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.402 -7.248 3.978 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.628 -8.415 4.840 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.740 -8.267 3.070 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.170 -4.092 2.295 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.042 -4.366 4.049 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.600 -5.574 2.911 1.00 0.00 H new ATOM 815 N TYR A 53 -3.475 -8.508 6.243 1.00 0.00 N ATOM 816 CA TYR A 53 -3.513 -9.718 7.040 1.00 0.00 C ATOM 817 C TYR A 53 -4.905 -10.033 7.596 1.00 0.00 C ATOM 818 O TYR A 53 -5.177 -11.204 7.868 1.00 0.00 O ATOM 819 CB TYR A 53 -2.504 -9.552 8.181 1.00 0.00 C ATOM 820 CG TYR A 53 -1.020 -9.529 7.820 1.00 0.00 C ATOM 821 CD1 TYR A 53 -0.491 -10.335 6.786 1.00 0.00 C ATOM 822 CD2 TYR A 53 -0.144 -8.737 8.586 1.00 0.00 C ATOM 823 CE1 TYR A 53 0.892 -10.344 6.518 1.00 0.00 C ATOM 824 CE2 TYR A 53 1.241 -8.754 8.336 1.00 0.00 C ATOM 825 CZ TYR A 53 1.768 -9.560 7.302 1.00 0.00 C ATOM 826 OH TYR A 53 3.115 -9.575 7.096 1.00 0.00 O ATOM 0 H TYR A 53 -3.573 -7.657 6.796 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.256 -10.563 6.401 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.737 -8.623 8.702 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.664 -10.364 8.891 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.154 -10.950 6.196 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.538 -8.111 9.373 1.00 0.00 H new ATOM 0 HE1 TYR A 53 1.283 -10.950 5.714 1.00 0.00 H new ATOM 0 HE2 TYR A 53 1.904 -8.149 8.937 1.00 0.00 H new ATOM 0 HH TYR A 53 3.309 -9.986 6.228 1.00 0.00 H new ATOM 836 N TYR A 54 -5.791 -9.042 7.752 1.00 0.00 N ATOM 837 CA TYR A 54 -7.142 -9.205 8.293 1.00 0.00 C ATOM 838 C TYR A 54 -8.189 -8.567 7.351 1.00 0.00 C ATOM 839 O TYR A 54 -9.064 -7.843 7.823 1.00 0.00 O ATOM 840 CB TYR A 54 -7.195 -8.600 9.716 1.00 0.00 C ATOM 841 CG TYR A 54 -6.028 -8.914 10.646 1.00 0.00 C ATOM 842 CD1 TYR A 54 -5.551 -10.231 10.795 1.00 0.00 C ATOM 843 CD2 TYR A 54 -5.400 -7.868 11.349 1.00 0.00 C ATOM 844 CE1 TYR A 54 -4.415 -10.494 11.581 1.00 0.00 C ATOM 845 CE2 TYR A 54 -4.274 -8.121 12.152 1.00 0.00 C ATOM 846 CZ TYR A 54 -3.766 -9.434 12.255 1.00 0.00 C ATOM 847 OH TYR A 54 -2.651 -9.675 12.999 1.00 0.00 O ATOM 0 H TYR A 54 -5.580 -8.077 7.497 1.00 0.00 H new ATOM 0 HA TYR A 54 -7.387 -10.265 8.361 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -7.270 -7.517 9.621 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -8.112 -8.942 10.196 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -6.062 -11.045 10.302 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -5.787 -6.863 11.271 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -4.039 -11.503 11.670 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -3.799 -7.313 12.689 1.00 0.00 H new ATOM 0 HH TYR A 54 -2.332 -8.836 13.392 1.00 0.00 H new ATOM 857 N PRO A 55 -8.115 -8.776 6.021 1.00 0.00 N ATOM 858 CA PRO A 55 -8.762 -7.887 5.067 1.00 0.00 C ATOM 859 C PRO A 55 -10.301 -7.928 5.102 1.00 0.00 C ATOM 860 O PRO A 55 -10.925 -8.957 5.360 1.00 0.00 O ATOM 861 CB PRO A 55 -8.220 -8.318 3.710 1.00 0.00 C ATOM 862 CG PRO A 55 -7.873 -9.780 3.876 1.00 0.00 C ATOM 863 CD PRO A 55 -7.366 -9.811 5.315 1.00 0.00 C ATOM 0 HA PRO A 55 -8.537 -6.848 5.307 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.962 -8.175 2.925 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.344 -7.733 3.431 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.739 -10.426 3.732 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.112 -10.104 3.166 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -7.530 -10.789 5.767 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -6.294 -9.616 5.357 1.00 0.00 H new ATOM 871 N GLU A 56 -10.883 -6.771 4.779 1.00 0.00 N ATOM 872 CA GLU A 56 -12.309 -6.479 4.647 1.00 0.00 C ATOM 873 C GLU A 56 -12.937 -7.045 3.369 1.00 0.00 C ATOM 874 O GLU A 56 -12.312 -7.689 2.532 1.00 0.00 O ATOM 875 CB GLU A 56 -12.471 -4.938 4.639 1.00 0.00 C ATOM 876 CG GLU A 56 -12.870 -4.353 5.994 1.00 0.00 C ATOM 877 CD GLU A 56 -14.394 -4.417 6.218 1.00 0.00 C ATOM 878 OE1 GLU A 56 -15.061 -5.214 5.512 1.00 0.00 O ATOM 879 OE2 GLU A 56 -14.904 -3.636 7.054 1.00 0.00 O ATOM 0 H GLU A 56 -10.318 -5.944 4.587 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.824 -6.954 5.482 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.532 -4.485 4.320 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.224 -4.665 3.900 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.362 -4.899 6.789 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.537 -3.317 6.055 1.00 0.00 H new ATOM 886 N GLY A 57 -14.190 -6.650 3.181 1.00 0.00 N ATOM 887 CA GLY A 57 -14.912 -6.639 1.920 1.00 0.00 C ATOM 888 C GLY A 57 -14.758 -7.890 1.080 1.00 0.00 C ATOM 889 O GLY A 57 -14.972 -9.013 1.530 1.00 0.00 O ATOM 0 H GLY A 57 -14.762 -6.308 3.954 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -15.971 -6.487 2.127 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -14.576 -5.783 1.334 1.00 0.00 H new ATOM 893 N ASN A 58 -14.484 -7.645 -0.198 1.00 0.00 N ATOM 894 CA ASN A 58 -13.856 -8.623 -1.064 1.00 0.00 C ATOM 895 C ASN A 58 -12.479 -8.025 -1.378 1.00 0.00 C ATOM 896 O ASN A 58 -12.002 -7.957 -2.515 1.00 0.00 O ATOM 897 CB ASN A 58 -14.743 -9.074 -2.238 1.00 0.00 C ATOM 898 CG ASN A 58 -14.557 -8.364 -3.538 1.00 0.00 C ATOM 899 OD1 ASN A 58 -15.054 -7.264 -3.766 1.00 0.00 O ATOM 900 ND2 ASN A 58 -13.978 -9.065 -4.472 1.00 0.00 N ATOM 0 H ASN A 58 -14.694 -6.759 -0.658 1.00 0.00 H new ATOM 0 HA ASN A 58 -13.715 -9.598 -0.597 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -14.570 -10.137 -2.405 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -15.785 -8.964 -1.938 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -13.928 -8.703 -5.424 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -13.575 -9.975 -4.250 1.00 0.00 H new ATOM 907 N ASN A 59 -11.835 -7.501 -0.326 1.00 0.00 N ATOM 908 CA ASN A 59 -10.388 -7.296 -0.330 1.00 0.00 C ATOM 909 C ASN A 59 -9.693 -8.660 -0.325 1.00 0.00 C ATOM 910 O ASN A 59 -9.155 -9.138 0.665 1.00 0.00 O ATOM 911 CB ASN A 59 -9.996 -6.351 0.815 1.00 0.00 C ATOM 912 CG ASN A 59 -8.509 -6.056 0.937 1.00 0.00 C ATOM 913 OD1 ASN A 59 -7.756 -6.099 -0.030 1.00 0.00 O ATOM 914 ND2 ASN A 59 -8.091 -5.716 2.148 1.00 0.00 N ATOM 0 H ASN A 59 -12.297 -7.213 0.536 1.00 0.00 H new ATOM 0 HA ASN A 59 -10.049 -6.794 -1.237 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -10.527 -5.408 0.683 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -10.342 -6.783 1.754 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -7.111 -5.478 2.301 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.749 -5.692 2.927 1.00 0.00 H new ATOM 921 N ASP A 60 -9.802 -9.304 -1.482 1.00 0.00 N ATOM 922 CA ASP A 60 -9.496 -10.696 -1.790 1.00 0.00 C ATOM 923 C ASP A 60 -9.107 -10.796 -3.263 1.00 0.00 C ATOM 924 O ASP A 60 -8.257 -11.604 -3.629 1.00 0.00 O ATOM 925 CB ASP A 60 -10.709 -11.618 -1.501 1.00 0.00 C ATOM 926 CG ASP A 60 -11.668 -11.851 -2.689 1.00 0.00 C ATOM 927 OD1 ASP A 60 -12.259 -10.864 -3.192 1.00 0.00 O ATOM 928 OD2 ASP A 60 -11.846 -13.022 -3.090 1.00 0.00 O ATOM 0 H ASP A 60 -10.141 -8.815 -2.310 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.672 -11.025 -1.156 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.335 -12.585 -1.164 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.279 -11.191 -0.676 1.00 0.00 H new ATOM 933 N GLY A 61 -9.699 -9.939 -4.108 1.00 0.00 N ATOM 934 CA GLY A 61 -9.666 -10.157 -5.546 1.00 0.00 C ATOM 935 C GLY A 61 -8.262 -9.980 -6.112 1.00 0.00 C ATOM 936 O GLY A 61 -7.886 -10.637 -7.087 1.00 0.00 O ATOM 0 H GLY A 61 -10.199 -9.099 -3.816 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -10.024 -11.162 -5.770 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -10.346 -9.460 -6.035 1.00 0.00 H new ATOM 940 N SER A 62 -7.489 -9.043 -5.559 1.00 0.00 N ATOM 941 CA SER A 62 -6.146 -8.719 -5.915 1.00 0.00 C ATOM 942 C SER A 62 -5.634 -7.675 -4.905 1.00 0.00 C ATOM 943 O SER A 62 -6.463 -6.992 -4.297 1.00 0.00 O ATOM 944 CB SER A 62 -6.278 -8.072 -7.281 1.00 0.00 C ATOM 945 OG SER A 62 -5.956 -8.996 -8.294 1.00 0.00 O ATOM 0 H SER A 62 -7.831 -8.459 -4.796 1.00 0.00 H new ATOM 0 HA SER A 62 -5.469 -9.573 -5.920 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.296 -7.708 -7.422 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.619 -7.207 -7.346 1.00 0.00 H new ATOM 0 HG SER A 62 -6.500 -9.804 -8.185 1.00 0.00 H new ATOM 951 N PRO A 63 -4.314 -7.403 -4.842 1.00 0.00 N ATOM 952 CA PRO A 63 -3.735 -6.272 -4.094 1.00 0.00 C ATOM 953 C PRO A 63 -4.282 -4.888 -4.517 1.00 0.00 C ATOM 954 O PRO A 63 -4.067 -3.870 -3.861 1.00 0.00 O ATOM 955 CB PRO A 63 -2.221 -6.356 -4.336 1.00 0.00 C ATOM 956 CG PRO A 63 -1.960 -7.737 -4.926 1.00 0.00 C ATOM 957 CD PRO A 63 -3.283 -8.126 -5.571 1.00 0.00 C ATOM 0 HA PRO A 63 -4.004 -6.354 -3.041 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.892 -5.573 -5.019 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.670 -6.220 -3.405 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -1.153 -7.711 -5.658 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -1.668 -8.450 -4.155 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.294 -7.861 -6.628 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.445 -9.202 -5.511 1.00 0.00 H new ATOM 965 N GLU A 64 -5.033 -4.854 -5.614 1.00 0.00 N ATOM 966 CA GLU A 64 -5.854 -3.782 -6.133 1.00 0.00 C ATOM 967 C GLU A 64 -6.768 -3.262 -5.044 1.00 0.00 C ATOM 968 O GLU A 64 -6.884 -2.051 -4.874 1.00 0.00 O ATOM 969 CB GLU A 64 -6.715 -4.367 -7.263 1.00 0.00 C ATOM 970 CG GLU A 64 -5.903 -4.607 -8.539 1.00 0.00 C ATOM 971 CD GLU A 64 -5.507 -3.296 -9.223 1.00 0.00 C ATOM 972 OE1 GLU A 64 -6.105 -2.239 -8.924 1.00 0.00 O ATOM 973 OE2 GLU A 64 -4.509 -3.270 -9.971 1.00 0.00 O ATOM 0 H GLU A 64 -5.081 -5.671 -6.223 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.228 -2.965 -6.493 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.157 -5.307 -6.932 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.539 -3.687 -7.480 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.005 -5.174 -8.296 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.486 -5.215 -9.231 1.00 0.00 H new ATOM 980 N ALA A 65 -7.393 -4.182 -4.308 1.00 0.00 N ATOM 981 CA ALA A 65 -8.331 -3.871 -3.254 1.00 0.00 C ATOM 982 C ALA A 65 -7.655 -3.164 -2.076 1.00 0.00 C ATOM 983 O ALA A 65 -8.346 -2.455 -1.355 1.00 0.00 O ATOM 984 CB ALA A 65 -9.053 -5.145 -2.829 1.00 0.00 C ATOM 0 H ALA A 65 -7.251 -5.183 -4.439 1.00 0.00 H new ATOM 0 HA ALA A 65 -9.070 -3.166 -3.635 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -9.762 -4.914 -2.034 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.588 -5.562 -3.682 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.326 -5.872 -2.467 1.00 0.00 H new ATOM 990 N VAL A 66 -6.326 -3.220 -1.935 1.00 0.00 N ATOM 991 CA VAL A 66 -5.653 -2.330 -0.975 1.00 0.00 C ATOM 992 C VAL A 66 -5.375 -0.980 -1.644 1.00 0.00 C ATOM 993 O VAL A 66 -5.495 0.049 -0.993 1.00 0.00 O ATOM 994 CB VAL A 66 -4.356 -2.977 -0.448 1.00 0.00 C ATOM 995 CG1 VAL A 66 -3.597 -2.055 0.503 1.00 0.00 C ATOM 996 CG2 VAL A 66 -4.588 -4.333 0.250 1.00 0.00 C ATOM 0 H VAL A 66 -5.710 -3.848 -2.452 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.303 -2.166 -0.116 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.755 -3.153 -1.340 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.691 -2.554 0.848 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.329 -1.136 -0.018 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.228 -1.816 1.359 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.634 -4.732 0.596 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.254 -4.195 1.102 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.040 -5.032 -0.454 1.00 0.00 H new ATOM 1006 N ILE A 67 -5.021 -0.915 -2.933 1.00 0.00 N ATOM 1007 CA ILE A 67 -4.721 0.377 -3.578 1.00 0.00 C ATOM 1008 C ILE A 67 -5.917 1.270 -3.585 1.00 0.00 C ATOM 1009 O ILE A 67 -5.801 2.467 -3.322 1.00 0.00 O ATOM 1010 CB ILE A 67 -4.181 0.178 -5.013 1.00 0.00 C ATOM 1011 CG1 ILE A 67 -2.672 0.385 -4.916 1.00 0.00 C ATOM 1012 CG2 ILE A 67 -4.730 1.089 -6.118 1.00 0.00 C ATOM 1013 CD1 ILE A 67 -2.156 -0.747 -4.048 1.00 0.00 C ATOM 0 H ILE A 67 -4.935 -1.726 -3.545 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.942 0.860 -2.989 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.506 -0.814 -5.326 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.210 0.363 -5.903 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.437 1.354 -4.475 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.260 0.833 -7.068 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.809 0.954 -6.199 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.512 2.129 -5.874 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.075 -0.657 -3.938 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.626 -0.696 -3.066 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.395 -1.702 -4.516 1.00 0.00 H new ATOM 1025 N LYS A 68 -7.025 0.634 -3.930 1.00 0.00 N ATOM 1026 CA LYS A 68 -8.361 1.053 -3.628 1.00 0.00 C ATOM 1027 C LYS A 68 -8.323 1.678 -2.287 1.00 0.00 C ATOM 1028 O LYS A 68 -8.264 2.885 -2.226 1.00 0.00 O ATOM 1029 CB LYS A 68 -9.248 -0.178 -3.607 1.00 0.00 C ATOM 1030 CG LYS A 68 -9.808 -0.445 -4.979 1.00 0.00 C ATOM 1031 CD LYS A 68 -11.211 -1.082 -4.912 1.00 0.00 C ATOM 1032 CE LYS A 68 -12.410 -0.202 -4.485 1.00 0.00 C ATOM 1033 NZ LYS A 68 -12.343 0.331 -3.104 1.00 0.00 N ATOM 0 H LYS A 68 -7.001 -0.238 -4.459 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.748 1.759 -4.363 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.675 -1.041 -3.267 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.062 -0.035 -2.896 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.859 0.489 -5.538 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.134 -1.106 -5.524 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -11.436 -1.490 -5.898 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.158 -1.925 -4.223 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -12.489 0.636 -5.177 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -13.324 -0.787 -4.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -13.296 0.606 -2.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -11.968 -0.401 -2.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -11.718 1.162 -3.083 1.00 0.00 H new ATOM 1047 N GLU A 69 -8.277 0.889 -1.245 1.00 0.00 N ATOM 1048 CA GLU A 69 -8.636 1.303 0.068 1.00 0.00 C ATOM 1049 C GLU A 69 -7.664 2.315 0.635 1.00 0.00 C ATOM 1050 O GLU A 69 -8.044 3.091 1.496 1.00 0.00 O ATOM 1051 CB GLU A 69 -8.709 -0.009 0.820 1.00 0.00 C ATOM 1052 CG GLU A 69 -10.178 -0.472 1.024 1.00 0.00 C ATOM 1053 CD GLU A 69 -11.099 -0.291 -0.220 1.00 0.00 C ATOM 1054 OE1 GLU A 69 -11.653 0.816 -0.429 1.00 0.00 O ATOM 1055 OE2 GLU A 69 -11.273 -1.205 -1.058 1.00 0.00 O ATOM 0 H GLU A 69 -7.979 -0.085 -1.298 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.579 1.847 0.125 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.159 -0.774 0.272 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.223 0.100 1.790 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.176 -1.525 1.307 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.606 0.082 1.859 1.00 0.00 H new ATOM 1062 N ILE A 70 -6.466 2.430 0.078 1.00 0.00 N ATOM 1063 CA ILE A 70 -5.552 3.477 0.373 1.00 0.00 C ATOM 1064 C ILE A 70 -6.166 4.731 -0.220 1.00 0.00 C ATOM 1065 O ILE A 70 -6.510 5.658 0.508 1.00 0.00 O ATOM 1066 CB ILE A 70 -4.181 3.166 -0.177 1.00 0.00 C ATOM 1067 CG1 ILE A 70 -3.493 2.070 0.650 1.00 0.00 C ATOM 1068 CG2 ILE A 70 -3.348 4.446 -0.165 1.00 0.00 C ATOM 1069 CD1 ILE A 70 -4.172 1.275 1.774 1.00 0.00 C ATOM 0 H ILE A 70 -6.111 1.766 -0.611 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.396 3.606 1.444 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.277 2.796 -1.198 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.133 1.332 -0.067 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.615 2.535 1.097 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.354 4.237 -0.560 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.833 5.201 -0.784 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.262 4.815 0.857 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.463 0.562 2.195 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.505 1.960 2.554 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.031 0.738 1.372 1.00 0.00 H new ATOM 1081 N LYS A 71 -6.265 4.791 -1.552 1.00 0.00 N ATOM 1082 CA LYS A 71 -6.753 5.987 -2.215 1.00 0.00 C ATOM 1083 C LYS A 71 -8.190 6.300 -1.796 1.00 0.00 C ATOM 1084 O LYS A 71 -8.505 7.485 -1.715 1.00 0.00 O ATOM 1085 CB LYS A 71 -6.473 5.907 -3.719 1.00 0.00 C ATOM 1086 CG LYS A 71 -7.654 5.387 -4.517 1.00 0.00 C ATOM 1087 CD LYS A 71 -7.301 4.462 -5.679 1.00 0.00 C ATOM 1088 CE LYS A 71 -8.601 3.853 -6.219 1.00 0.00 C ATOM 1089 NZ LYS A 71 -8.341 2.657 -7.044 1.00 0.00 N ATOM 0 H LYS A 71 -6.014 4.028 -2.181 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.201 6.867 -1.886 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.202 6.897 -4.085 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.614 5.258 -3.889 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.322 4.854 -3.840 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.210 6.239 -4.909 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.787 5.017 -6.464 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.622 3.676 -5.347 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.252 3.586 -5.386 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.132 4.597 -6.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.245 2.224 -7.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.812 2.932 -7.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.782 1.972 -6.496 1.00 0.00 H new ATOM 1103 N GLU A 72 -9.034 5.315 -1.471 1.00 0.00 N ATOM 1104 CA GLU A 72 -10.403 5.506 -1.119 1.00 0.00 C ATOM 1105 C GLU A 72 -10.490 6.041 0.317 1.00 0.00 C ATOM 1106 O GLU A 72 -11.207 7.011 0.562 1.00 0.00 O ATOM 1107 CB GLU A 72 -11.063 4.142 -1.298 1.00 0.00 C ATOM 1108 CG GLU A 72 -12.088 4.062 -2.433 1.00 0.00 C ATOM 1109 CD GLU A 72 -11.392 3.830 -3.786 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -11.011 4.820 -4.449 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -11.245 2.646 -4.177 1.00 0.00 O ATOM 0 H GLU A 72 -8.750 4.335 -1.452 1.00 0.00 H new ATOM 0 HA GLU A 72 -10.913 6.243 -1.739 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.285 3.400 -1.478 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -11.555 3.868 -0.365 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.791 3.252 -2.237 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -12.667 4.984 -2.471 1.00 0.00 H new ATOM 1118 N TRP A 73 -9.711 5.485 1.257 1.00 0.00 N ATOM 1119 CA TRP A 73 -9.536 6.032 2.598 1.00 0.00 C ATOM 1120 C TRP A 73 -9.023 7.459 2.515 1.00 0.00 C ATOM 1121 O TRP A 73 -9.671 8.360 3.048 1.00 0.00 O ATOM 1122 CB TRP A 73 -8.630 5.141 3.423 1.00 0.00 C ATOM 1123 CG TRP A 73 -8.476 5.588 4.827 1.00 0.00 C ATOM 1124 CD1 TRP A 73 -9.275 5.244 5.855 1.00 0.00 C ATOM 1125 CD2 TRP A 73 -7.483 6.490 5.358 1.00 0.00 C ATOM 1126 NE1 TRP A 73 -8.826 5.866 7.006 1.00 0.00 N ATOM 1127 CE2 TRP A 73 -7.757 6.701 6.736 1.00 0.00 C ATOM 1128 CE3 TRP A 73 -6.384 7.154 4.789 1.00 0.00 C ATOM 1129 CZ2 TRP A 73 -6.984 7.574 7.510 1.00 0.00 C ATOM 1130 CZ3 TRP A 73 -5.610 8.040 5.546 1.00 0.00 C ATOM 1131 CH2 TRP A 73 -5.917 8.261 6.890 1.00 0.00 C ATOM 0 H TRP A 73 -9.179 4.629 1.098 1.00 0.00 H new ATOM 0 HA TRP A 73 -10.500 6.060 3.105 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -9.028 4.126 3.415 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -7.647 5.102 2.953 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -10.130 4.587 5.791 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -9.230 5.727 7.932 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -6.133 6.978 3.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -7.199 7.719 8.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -4.775 8.553 5.091 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -5.332 8.966 7.462 1.00 0.00 H new ATOM 1142 N ARG A 74 -7.897 7.695 1.832 1.00 0.00 N ATOM 1143 CA ARG A 74 -7.319 9.022 1.678 1.00 0.00 C ATOM 1144 C ARG A 74 -8.354 9.959 1.063 1.00 0.00 C ATOM 1145 O ARG A 74 -8.414 11.120 1.459 1.00 0.00 O ATOM 1146 CB ARG A 74 -6.053 8.934 0.809 1.00 0.00 C ATOM 1147 CG ARG A 74 -4.924 8.063 1.398 1.00 0.00 C ATOM 1148 CD ARG A 74 -4.031 8.761 2.426 1.00 0.00 C ATOM 1149 NE ARG A 74 -3.156 9.760 1.786 1.00 0.00 N ATOM 1150 CZ ARG A 74 -1.888 10.040 2.112 1.00 0.00 C ATOM 1151 NH1 ARG A 74 -1.155 9.195 2.821 1.00 0.00 N ATOM 1152 NH2 ARG A 74 -1.349 11.190 1.741 1.00 0.00 N ATOM 0 H ARG A 74 -7.362 6.960 1.369 1.00 0.00 H new ATOM 0 HA ARG A 74 -7.034 9.422 2.651 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -6.327 8.537 -0.168 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -5.669 9.941 0.648 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.370 7.185 1.865 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.298 7.706 0.580 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -4.651 9.247 3.179 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -3.422 8.020 2.944 1.00 0.00 H new ATOM 0 HE ARG A 74 -3.558 10.293 1.015 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -1.554 8.309 3.131 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -0.191 9.430 3.057 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -1.899 11.863 1.207 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -0.383 11.404 1.989 1.00 0.00 H new ATOM 1166 N ALA A 75 -9.161 9.496 0.102 1.00 0.00 N ATOM 1167 CA ALA A 75 -10.233 10.254 -0.502 1.00 0.00 C ATOM 1168 C ALA A 75 -11.262 10.667 0.532 1.00 0.00 C ATOM 1169 O ALA A 75 -11.452 11.870 0.724 1.00 0.00 O ATOM 1170 CB ALA A 75 -10.868 9.536 -1.701 1.00 0.00 C ATOM 0 H ALA A 75 -9.074 8.554 -0.280 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.790 11.164 -0.905 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -11.667 10.153 -2.113 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.110 9.365 -2.466 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -11.279 8.580 -1.377 1.00 0.00 H new ATOM 1176 N ALA A 76 -11.906 9.698 1.179 1.00 0.00 N ATOM 1177 CA ALA A 76 -12.984 9.935 2.120 1.00 0.00 C ATOM 1178 C ALA A 76 -12.514 10.834 3.255 1.00 0.00 C ATOM 1179 O ALA A 76 -13.235 11.749 3.648 1.00 0.00 O ATOM 1180 CB ALA A 76 -13.501 8.596 2.656 1.00 0.00 C ATOM 0 H ALA A 76 -11.685 8.710 1.057 1.00 0.00 H new ATOM 0 HA ALA A 76 -13.801 10.446 1.610 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -14.311 8.775 3.363 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -13.870 7.991 1.828 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -12.691 8.068 3.159 1.00 0.00 H new ATOM 1186 N ASN A 77 -11.301 10.597 3.760 1.00 0.00 N ATOM 1187 CA ASN A 77 -10.776 11.322 4.891 1.00 0.00 C ATOM 1188 C ASN A 77 -10.405 12.763 4.551 1.00 0.00 C ATOM 1189 O ASN A 77 -10.370 13.593 5.458 1.00 0.00 O ATOM 1190 CB ASN A 77 -9.566 10.556 5.416 1.00 0.00 C ATOM 1191 CG ASN A 77 -9.996 9.446 6.360 1.00 0.00 C ATOM 1192 OD1 ASN A 77 -10.076 9.626 7.567 1.00 0.00 O ATOM 1193 ND2 ASN A 77 -10.343 8.296 5.815 1.00 0.00 N ATOM 0 H ASN A 77 -10.664 9.893 3.387 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.551 11.392 5.655 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -9.008 10.133 4.581 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -8.894 11.240 5.934 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -10.686 7.536 6.403 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -10.269 8.167 4.806 1.00 0.00 H new ATOM 1200 N GLY A 78 -10.135 13.105 3.283 1.00 0.00 N ATOM 1201 CA GLY A 78 -9.704 14.469 2.984 1.00 0.00 C ATOM 1202 C GLY A 78 -9.010 14.649 1.643 1.00 0.00 C ATOM 1203 O GLY A 78 -8.314 15.643 1.449 1.00 0.00 O ATOM 0 H GLY A 78 -10.205 12.481 2.479 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.575 15.123 3.015 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -9.028 14.801 3.772 1.00 0.00 H new ATOM 1207 N LYS A 79 -9.225 13.753 0.681 1.00 0.00 N ATOM 1208 CA LYS A 79 -8.574 13.551 -0.582 1.00 0.00 C ATOM 1209 C LYS A 79 -7.221 14.206 -0.812 1.00 0.00 C ATOM 1210 O LYS A 79 -7.122 15.398 -1.104 1.00 0.00 O ATOM 1211 CB LYS A 79 -9.558 13.747 -1.719 1.00 0.00 C ATOM 1212 CG LYS A 79 -10.989 14.271 -1.445 1.00 0.00 C ATOM 1213 CD LYS A 79 -11.225 15.746 -1.819 1.00 0.00 C ATOM 1214 CE LYS A 79 -10.761 16.759 -0.755 1.00 0.00 C ATOM 1215 NZ LYS A 79 -9.299 16.996 -0.737 1.00 0.00 N ATOM 0 H LYS A 79 -9.967 13.064 0.803 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.257 12.508 -0.551 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.096 14.433 -2.428 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -9.659 12.787 -2.224 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.698 13.654 -1.998 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.211 14.140 -0.386 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -10.706 15.958 -2.754 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -12.289 15.895 -2.004 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.269 17.708 -0.927 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.072 16.405 0.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -8.941 16.885 0.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -8.828 16.309 -1.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -9.099 17.960 -1.072 1.00 0.00 H new ATOM 1229 N SER A 80 -6.213 13.358 -0.777 1.00 0.00 N ATOM 1230 CA SER A 80 -4.836 13.549 -1.205 1.00 0.00 C ATOM 1231 C SER A 80 -4.244 12.140 -1.261 1.00 0.00 C ATOM 1232 O SER A 80 -3.771 11.625 -0.249 1.00 0.00 O ATOM 1233 CB SER A 80 -4.076 14.462 -0.233 1.00 0.00 C ATOM 1234 OG SER A 80 -4.527 15.797 -0.368 1.00 0.00 O ATOM 0 H SER A 80 -6.350 12.417 -0.409 1.00 0.00 H new ATOM 0 HA SER A 80 -4.766 14.046 -2.172 1.00 0.00 H new ATOM 0 HB2 SER A 80 -4.226 14.121 0.791 1.00 0.00 H new ATOM 0 HB3 SER A 80 -3.006 14.409 -0.433 1.00 0.00 H new ATOM 0 HG SER A 80 -5.469 15.798 -0.638 1.00 0.00 H new ATOM 1240 N GLY A 81 -4.384 11.486 -2.412 1.00 0.00 N ATOM 1241 CA GLY A 81 -3.873 10.155 -2.709 1.00 0.00 C ATOM 1242 C GLY A 81 -2.862 10.274 -3.844 1.00 0.00 C ATOM 1243 O GLY A 81 -2.459 11.385 -4.200 1.00 0.00 O ATOM 0 H GLY A 81 -4.884 11.894 -3.202 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.403 9.723 -1.826 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.688 9.490 -2.994 1.00 0.00 H new ATOM 1247 N PHE A 82 -2.445 9.141 -4.403 1.00 0.00 N ATOM 1248 CA PHE A 82 -1.611 9.099 -5.582 1.00 0.00 C ATOM 1249 C PHE A 82 -2.309 9.675 -6.805 1.00 0.00 C ATOM 1250 O PHE A 82 -3.517 9.927 -6.822 1.00 0.00 O ATOM 1251 CB PHE A 82 -1.154 7.660 -5.857 1.00 0.00 C ATOM 1252 CG PHE A 82 -1.854 6.513 -5.137 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -3.005 5.897 -5.665 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -1.287 6.001 -3.958 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -3.521 4.745 -5.043 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -1.814 4.861 -3.335 1.00 0.00 C ATOM 1257 CZ PHE A 82 -2.938 4.227 -3.872 1.00 0.00 C ATOM 0 H PHE A 82 -2.685 8.219 -4.039 1.00 0.00 H new ATOM 0 HA PHE A 82 -0.740 9.724 -5.385 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.249 7.483 -6.928 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -0.092 7.600 -5.617 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.488 6.305 -6.540 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.430 6.494 -3.524 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.380 4.250 -5.472 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -1.351 4.473 -2.440 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.353 3.352 -3.395 1.00 0.00 H new ATOM 1267 N LYS A 83 -1.518 9.809 -7.872 1.00 0.00 N ATOM 1268 CA LYS A 83 -2.022 9.909 -9.227 1.00 0.00 C ATOM 1269 C LYS A 83 -3.105 8.859 -9.484 1.00 0.00 C ATOM 1270 O LYS A 83 -3.042 7.736 -8.984 1.00 0.00 O ATOM 1271 CB LYS A 83 -0.845 9.688 -10.165 1.00 0.00 C ATOM 1272 CG LYS A 83 -1.110 10.230 -11.574 1.00 0.00 C ATOM 1273 CD LYS A 83 0.204 10.230 -12.355 1.00 0.00 C ATOM 1274 CE LYS A 83 0.701 8.817 -12.677 1.00 0.00 C ATOM 1275 NZ LYS A 83 0.031 8.176 -13.822 1.00 0.00 N ATOM 0 H LYS A 83 -0.501 9.851 -7.810 1.00 0.00 H new ATOM 0 HA LYS A 83 -2.472 10.888 -9.391 1.00 0.00 H new ATOM 0 HB2 LYS A 83 0.040 10.173 -9.753 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -0.626 8.622 -10.224 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -1.852 9.614 -12.082 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -1.517 11.240 -11.520 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.070 10.784 -13.284 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.965 10.756 -11.778 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.772 8.860 -12.877 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.566 8.189 -11.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.248 7.159 -13.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.997 8.310 -13.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 0.369 8.606 -14.707 1.00 0.00 H new ATOM 1289 N GLN A 84 -4.081 9.257 -10.289 1.00 0.00 N ATOM 1290 CA GLN A 84 -5.329 8.611 -10.562 1.00 0.00 C ATOM 1291 C GLN A 84 -5.150 7.560 -11.661 1.00 0.00 C ATOM 1292 O GLN A 84 -5.781 7.645 -12.718 1.00 0.00 O ATOM 1293 CB GLN A 84 -6.238 9.779 -10.980 1.00 0.00 C ATOM 1294 CG GLN A 84 -7.700 9.379 -10.928 1.00 0.00 C ATOM 1295 CD GLN A 84 -8.460 9.758 -12.198 1.00 0.00 C ATOM 1296 OE1 GLN A 84 -9.316 10.634 -12.194 1.00 0.00 O ATOM 1297 NE2 GLN A 84 -8.146 9.120 -13.314 1.00 0.00 N ATOM 0 H GLN A 84 -3.996 10.128 -10.812 1.00 0.00 H new ATOM 0 HA GLN A 84 -5.748 8.059 -9.721 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -6.067 10.631 -10.321 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -5.981 10.100 -11.989 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -7.773 8.302 -10.773 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -8.173 9.857 -10.070 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -7.431 8.393 -13.302 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -8.619 9.356 -14.186 1.00 0.00 H new ATOM 1306 N GLY A 85 -4.267 6.603 -11.407 1.00 0.00 N ATOM 1307 CA GLY A 85 -3.640 5.808 -12.443 1.00 0.00 C ATOM 1308 C GLY A 85 -2.440 6.616 -12.870 1.00 0.00 C ATOM 1309 O GLY A 85 -2.364 7.045 -14.039 1.00 0.00 O ATOM 0 H GLY A 85 -3.966 6.358 -10.464 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.345 4.829 -12.067 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.320 5.637 -13.278 1.00 0.00 H new TER 1313 GLY A 85