USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=20 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 Single : A 3 ASN :FLIP amide:sc= -0.067 F(o=-0.78,f=-0.067) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HD1:sc=-0.000759 X(o=-0.00076,f=-0.00076) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 30:sc= 0 USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -1.42 X(o=-1.4,f=-1.5!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -2:sc= 0.343! USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -0.133 K(o=-0.13,f=-0.84) USER MOD Single : A 35 ASN : amide:sc= -0.0285 X(o=-0.029,f=-0.11) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl -155:sc= -0.127 (180deg=-0.837) USER MOD Single : A 55 HIS : no HD1:sc= -17.9! C(o=-18!,f=-20!) USER MOD Single : A 56 THR OG1 : rot 44:sc= 0.163 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0173 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.494! USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -0.648 X(o=-0.65,f=-0.44) USER MOD Single : A 83 TYR OH : rot 30:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 33 N ASN A 3 3.052 -14.419 1.831 1.00 0.00 N ATOM 34 CA ASN A 3 3.844 -13.752 0.811 1.00 0.00 C ATOM 35 C ASN A 3 5.325 -13.845 1.179 1.00 0.00 C ATOM 36 O ASN A 3 5.730 -13.410 2.257 1.00 0.00 O ATOM 37 CB ASN A 3 3.473 -12.271 0.708 1.00 0.00 C ATOM 38 CG ASN A 3 1.979 -12.059 0.962 1.00 0.00 C ATOM 39 OD1 ASN A 3 1.649 -12.024 2.250 1.00 0.00 O flip ATOM 40 ND2 ASN A 3 1.179 -11.938 0.049 1.00 0.00 N flip ATOM 0 HA ASN A 3 3.646 -14.241 -0.143 1.00 0.00 H new ATOM 0 HB2 ASN A 3 4.053 -11.696 1.430 1.00 0.00 H new ATOM 0 HB3 ASN A 3 3.734 -11.895 -0.281 1.00 0.00 H new ATOM 0 HD21 ASN A 3 1.500 -11.975 -0.919 1.00 0.00 H new ATOM 0 HD22 ASN A 3 0.189 -11.800 0.253 1.00 0.00 H new ATOM 47 N LYS A 4 6.095 -14.413 0.265 1.00 0.00 N ATOM 48 CA LYS A 4 7.525 -14.568 0.478 1.00 0.00 C ATOM 49 C LYS A 4 8.265 -14.301 -0.833 1.00 0.00 C ATOM 50 O LYS A 4 9.292 -14.921 -1.108 1.00 0.00 O ATOM 51 CB LYS A 4 7.829 -15.938 1.089 1.00 0.00 C ATOM 52 CG LYS A 4 9.338 -16.173 1.185 1.00 0.00 C ATOM 53 CD LYS A 4 9.709 -16.817 2.522 1.00 0.00 C ATOM 54 CE LYS A 4 9.720 -18.343 2.410 1.00 0.00 C ATOM 55 NZ LYS A 4 9.262 -18.959 3.677 1.00 0.00 N ATOM 0 H LYS A 4 5.756 -14.773 -0.627 1.00 0.00 H new ATOM 0 HA LYS A 4 7.884 -13.835 1.200 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.383 -16.005 2.081 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.373 -16.720 0.482 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.662 -16.815 0.366 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.865 -15.225 1.075 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.690 -16.465 2.840 1.00 0.00 H new ATOM 0 HD3 LYS A 4 8.997 -16.510 3.288 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.074 -18.658 1.591 1.00 0.00 H new ATOM 0 HE3 LYS A 4 10.726 -18.689 2.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.275 -19.995 3.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.895 -18.673 4.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.294 -18.643 3.887 1.00 0.00 H new ATOM 69 N LYS A 5 7.715 -13.380 -1.610 1.00 0.00 N ATOM 70 CA LYS A 5 8.310 -13.024 -2.886 1.00 0.00 C ATOM 71 C LYS A 5 7.774 -11.663 -3.332 1.00 0.00 C ATOM 72 O LYS A 5 6.706 -11.239 -2.894 1.00 0.00 O ATOM 73 CB LYS A 5 8.088 -14.138 -3.911 1.00 0.00 C ATOM 74 CG LYS A 5 9.387 -14.474 -4.646 1.00 0.00 C ATOM 75 CD LYS A 5 9.408 -13.843 -6.039 1.00 0.00 C ATOM 76 CE LYS A 5 8.451 -14.571 -6.986 1.00 0.00 C ATOM 77 NZ LYS A 5 8.916 -14.450 -8.386 1.00 0.00 N ATOM 0 H LYS A 5 6.863 -12.869 -1.380 1.00 0.00 H new ATOM 0 HA LYS A 5 9.391 -12.925 -2.787 1.00 0.00 H new ATOM 0 HB2 LYS A 5 7.709 -15.028 -3.409 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.329 -13.830 -4.630 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.239 -14.116 -4.068 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.491 -15.556 -4.731 1.00 0.00 H new ATOM 0 HD2 LYS A 5 9.127 -12.792 -5.970 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.420 -13.877 -6.442 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.385 -15.623 -6.708 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.449 -14.153 -6.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.256 -14.949 -9.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.956 -13.446 -8.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 9.863 -14.870 -8.475 1.00 0.00 H new ATOM 91 N SER A 6 8.540 -11.016 -4.199 1.00 0.00 N ATOM 92 CA SER A 6 8.155 -9.711 -4.709 1.00 0.00 C ATOM 93 C SER A 6 7.896 -8.749 -3.547 1.00 0.00 C ATOM 94 O SER A 6 8.236 -9.048 -2.403 1.00 0.00 O ATOM 95 CB SER A 6 6.916 -9.812 -5.600 1.00 0.00 C ATOM 96 OG SER A 6 7.027 -10.866 -6.553 1.00 0.00 O ATOM 0 H SER A 6 9.425 -11.371 -4.561 1.00 0.00 H new ATOM 0 HA SER A 6 8.975 -9.326 -5.315 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.035 -9.976 -4.979 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.766 -8.866 -6.121 1.00 0.00 H new ATOM 0 HG SER A 6 6.215 -10.898 -7.101 1.00 0.00 H new ATOM 102 N HIS A 7 7.297 -7.616 -3.881 1.00 0.00 N ATOM 103 CA HIS A 7 6.989 -6.609 -2.879 1.00 0.00 C ATOM 104 C HIS A 7 5.528 -6.177 -3.018 1.00 0.00 C ATOM 105 O HIS A 7 5.151 -5.560 -4.012 1.00 0.00 O ATOM 106 CB HIS A 7 7.966 -5.435 -2.971 1.00 0.00 C ATOM 107 CG HIS A 7 9.416 -5.828 -2.813 1.00 0.00 C ATOM 108 ND1 HIS A 7 10.252 -6.053 -3.892 1.00 0.00 N ATOM 109 CD2 HIS A 7 10.167 -6.032 -1.693 1.00 0.00 C ATOM 110 CE1 HIS A 7 11.451 -6.378 -3.430 1.00 0.00 C ATOM 111 NE2 HIS A 7 11.395 -6.364 -2.067 1.00 0.00 N ATOM 0 H HIS A 7 7.017 -7.372 -4.831 1.00 0.00 H new ATOM 0 HA HIS A 7 7.113 -7.032 -1.882 1.00 0.00 H new ATOM 0 HB2 HIS A 7 7.837 -4.943 -3.935 1.00 0.00 H new ATOM 0 HB3 HIS A 7 7.713 -4.704 -2.203 1.00 0.00 H new ATOM 0 HD2 HIS A 7 9.820 -5.939 -0.674 1.00 0.00 H new ATOM 0 HE1 HIS A 7 12.320 -6.613 -4.027 1.00 0.00 H new ATOM 0 HE2 HIS A 7 12.171 -6.574 -1.439 1.00 0.00 H new ATOM 119 N TYR A 8 4.745 -6.522 -2.006 1.00 0.00 N ATOM 120 CA TYR A 8 3.332 -6.178 -2.003 1.00 0.00 C ATOM 121 C TYR A 8 3.100 -4.827 -1.322 1.00 0.00 C ATOM 122 O TYR A 8 3.557 -4.605 -0.202 1.00 0.00 O ATOM 123 CB TYR A 8 2.634 -7.271 -1.191 1.00 0.00 C ATOM 124 CG TYR A 8 2.235 -8.497 -2.014 1.00 0.00 C ATOM 125 CD1 TYR A 8 3.208 -9.301 -2.572 1.00 0.00 C ATOM 126 CD2 TYR A 8 0.901 -8.799 -2.199 1.00 0.00 C ATOM 127 CE1 TYR A 8 2.831 -10.454 -3.347 1.00 0.00 C ATOM 128 CE2 TYR A 8 0.524 -9.952 -2.974 1.00 0.00 C ATOM 129 CZ TYR A 8 1.508 -10.723 -3.510 1.00 0.00 C ATOM 130 OH TYR A 8 1.152 -11.813 -4.241 1.00 0.00 O ATOM 0 H TYR A 8 5.061 -7.035 -1.183 1.00 0.00 H new ATOM 0 HA TYR A 8 2.951 -6.107 -3.022 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.294 -7.587 -0.383 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.741 -6.851 -0.727 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.252 -9.065 -2.427 1.00 0.00 H new ATOM 0 HD2 TYR A 8 0.140 -8.170 -1.762 1.00 0.00 H new ATOM 0 HE1 TYR A 8 3.582 -11.091 -3.789 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -0.516 -10.199 -3.126 1.00 0.00 H new ATOM 0 HH TYR A 8 0.175 -11.881 -4.272 1.00 0.00 H new ATOM 140 N PHE A 9 2.389 -3.960 -2.029 1.00 0.00 N ATOM 141 CA PHE A 9 2.090 -2.637 -1.507 1.00 0.00 C ATOM 142 C PHE A 9 0.758 -2.633 -0.753 1.00 0.00 C ATOM 143 O PHE A 9 -0.295 -2.870 -1.344 1.00 0.00 O ATOM 144 CB PHE A 9 1.984 -1.696 -2.709 1.00 0.00 C ATOM 145 CG PHE A 9 2.266 -0.229 -2.377 1.00 0.00 C ATOM 146 CD1 PHE A 9 1.257 0.578 -1.952 1.00 0.00 C ATOM 147 CD2 PHE A 9 3.525 0.268 -2.507 1.00 0.00 C ATOM 148 CE1 PHE A 9 1.517 1.940 -1.644 1.00 0.00 C ATOM 149 CE2 PHE A 9 3.787 1.629 -2.198 1.00 0.00 C ATOM 150 CZ PHE A 9 2.778 2.436 -1.774 1.00 0.00 C ATOM 0 H PHE A 9 2.012 -4.148 -2.958 1.00 0.00 H new ATOM 0 HA PHE A 9 2.871 -2.325 -0.813 1.00 0.00 H new ATOM 0 HB2 PHE A 9 2.683 -2.025 -3.478 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.983 -1.776 -3.133 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.257 0.183 -1.849 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.326 -0.373 -2.845 1.00 0.00 H new ATOM 0 HE1 PHE A 9 0.716 2.581 -1.307 1.00 0.00 H new ATOM 0 HE2 PHE A 9 4.787 2.023 -2.300 1.00 0.00 H new ATOM 0 HZ PHE A 9 2.977 3.471 -1.540 1.00 0.00 H new ATOM 160 N TYR A 10 0.847 -2.362 0.541 1.00 0.00 N ATOM 161 CA TYR A 10 -0.337 -2.325 1.382 1.00 0.00 C ATOM 162 C TYR A 10 -0.366 -1.053 2.232 1.00 0.00 C ATOM 163 O TYR A 10 0.579 -0.772 2.966 1.00 0.00 O ATOM 164 CB TYR A 10 -0.237 -3.540 2.306 1.00 0.00 C ATOM 165 CG TYR A 10 1.079 -3.624 3.081 1.00 0.00 C ATOM 166 CD1 TYR A 10 1.227 -2.933 4.267 1.00 0.00 C ATOM 167 CD2 TYR A 10 2.118 -4.391 2.596 1.00 0.00 C ATOM 168 CE1 TYR A 10 2.464 -3.013 4.998 1.00 0.00 C ATOM 169 CE2 TYR A 10 3.357 -4.471 3.327 1.00 0.00 C ATOM 170 CZ TYR A 10 3.469 -3.778 4.491 1.00 0.00 C ATOM 171 OH TYR A 10 4.640 -3.852 5.181 1.00 0.00 O ATOM 0 H TYR A 10 1.722 -2.166 1.028 1.00 0.00 H new ATOM 0 HA TYR A 10 -1.241 -2.337 0.773 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.064 -3.513 3.016 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -0.356 -4.446 1.712 1.00 0.00 H new ATOM 0 HD1 TYR A 10 0.414 -2.332 4.646 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.003 -4.932 1.668 1.00 0.00 H new ATOM 0 HE1 TYR A 10 2.592 -2.478 5.928 1.00 0.00 H new ATOM 0 HE2 TYR A 10 4.178 -5.068 2.958 1.00 0.00 H new ATOM 0 HH TYR A 10 4.463 -3.746 6.139 1.00 0.00 H new ATOM 181 N VAL A 11 -1.461 -0.319 2.103 1.00 0.00 N ATOM 182 CA VAL A 11 -1.625 0.916 2.850 1.00 0.00 C ATOM 183 C VAL A 11 -2.444 0.639 4.113 1.00 0.00 C ATOM 184 O VAL A 11 -3.420 -0.109 4.073 1.00 0.00 O ATOM 185 CB VAL A 11 -2.252 1.989 1.957 1.00 0.00 C ATOM 186 CG1 VAL A 11 -2.186 3.364 2.624 1.00 0.00 C ATOM 187 CG2 VAL A 11 -1.583 2.015 0.580 1.00 0.00 C ATOM 0 H VAL A 11 -2.243 -0.556 1.493 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.656 1.300 3.168 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.303 1.735 1.815 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.638 4.108 1.969 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.728 3.336 3.570 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.145 3.629 2.810 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.047 2.786 -0.035 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.521 2.233 0.695 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.704 1.045 0.098 1.00 0.00 H new ATOM 197 N LEU A 12 -2.016 1.255 5.205 1.00 0.00 N ATOM 198 CA LEU A 12 -2.697 1.083 6.477 1.00 0.00 C ATOM 199 C LEU A 12 -3.384 2.394 6.863 1.00 0.00 C ATOM 200 O LEU A 12 -2.884 3.475 6.557 1.00 0.00 O ATOM 201 CB LEU A 12 -1.726 0.562 7.538 1.00 0.00 C ATOM 202 CG LEU A 12 -1.658 -0.960 7.695 1.00 0.00 C ATOM 203 CD1 LEU A 12 -3.059 -1.567 7.767 1.00 0.00 C ATOM 204 CD2 LEU A 12 -0.817 -1.588 6.580 1.00 0.00 C ATOM 0 H LEU A 12 -1.206 1.874 5.235 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.477 0.326 6.393 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.727 0.928 7.299 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.003 0.995 8.499 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.162 -1.185 8.639 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.982 -2.649 7.878 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.592 -1.151 8.622 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.604 -1.335 6.852 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.784 -2.669 6.714 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.263 -1.356 5.613 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.196 -1.187 6.618 1.00 0.00 H new ATOM 216 N LEU A 13 -4.520 2.256 7.533 1.00 0.00 N ATOM 217 CA LEU A 13 -5.280 3.416 7.964 1.00 0.00 C ATOM 218 C LEU A 13 -5.323 3.451 9.493 1.00 0.00 C ATOM 219 O LEU A 13 -5.335 2.407 10.143 1.00 0.00 O ATOM 220 CB LEU A 13 -6.664 3.423 7.310 1.00 0.00 C ATOM 221 CG LEU A 13 -7.698 4.358 7.939 1.00 0.00 C ATOM 222 CD1 LEU A 13 -8.692 4.862 6.892 1.00 0.00 C ATOM 223 CD2 LEU A 13 -8.401 3.684 9.119 1.00 0.00 C ATOM 0 H LEU A 13 -4.931 1.358 7.787 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.793 4.334 7.636 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.547 3.696 6.261 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.060 2.408 7.333 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.175 5.230 8.331 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.416 5.525 7.367 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.157 5.407 6.115 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.213 4.014 6.447 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.131 4.370 9.548 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.909 2.783 8.774 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.665 3.417 9.877 1.00 0.00 H new ATOM 235 N CYS A 14 -5.344 4.666 10.025 1.00 0.00 N ATOM 236 CA CYS A 14 -5.385 4.850 11.466 1.00 0.00 C ATOM 237 C CYS A 14 -6.715 5.517 11.825 1.00 0.00 C ATOM 238 O CYS A 14 -7.538 5.782 10.951 1.00 0.00 O ATOM 239 CB CYS A 14 -4.186 5.659 11.965 1.00 0.00 C ATOM 240 SG CYS A 14 -2.629 4.898 11.379 1.00 0.00 S ATOM 0 H CYS A 14 -5.333 5.531 9.484 1.00 0.00 H new ATOM 0 HA CYS A 14 -5.319 3.882 11.964 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.256 6.686 11.607 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.193 5.700 13.054 1.00 0.00 H new ATOM 0 HG CYS A 14 -1.618 5.594 11.807 1.00 0.00 H new ATOM 246 N GLN A 15 -6.882 5.771 13.115 1.00 0.00 N ATOM 247 CA GLN A 15 -8.096 6.403 13.603 1.00 0.00 C ATOM 248 C GLN A 15 -8.299 7.758 12.923 1.00 0.00 C ATOM 249 O GLN A 15 -9.268 7.952 12.191 1.00 0.00 O ATOM 250 CB GLN A 15 -8.064 6.550 15.125 1.00 0.00 C ATOM 251 CG GLN A 15 -7.894 5.191 15.805 1.00 0.00 C ATOM 252 CD GLN A 15 -9.194 4.386 15.758 1.00 0.00 C ATOM 253 OE1 GLN A 15 -10.266 4.906 15.492 1.00 0.00 O ATOM 254 NE2 GLN A 15 -9.039 3.094 16.029 1.00 0.00 N ATOM 0 H GLN A 15 -6.196 5.550 13.837 1.00 0.00 H new ATOM 0 HA GLN A 15 -8.942 5.763 13.352 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.245 7.209 15.413 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -8.986 7.019 15.468 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -7.098 4.632 15.313 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -7.589 5.335 16.841 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -8.112 2.725 16.243 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -9.847 2.471 16.022 1.00 0.00 H new ATOM 263 N ASP A 16 -7.369 8.663 13.191 1.00 0.00 N ATOM 264 CA ASP A 16 -7.433 9.996 12.617 1.00 0.00 C ATOM 265 C ASP A 16 -7.690 9.885 11.112 1.00 0.00 C ATOM 266 O ASP A 16 -8.296 10.773 10.515 1.00 0.00 O ATOM 267 CB ASP A 16 -6.115 10.747 12.817 1.00 0.00 C ATOM 268 CG ASP A 16 -6.096 12.176 12.270 1.00 0.00 C ATOM 269 OD1 ASP A 16 -7.146 12.594 11.738 1.00 0.00 O ATOM 270 OD2 ASP A 16 -5.030 12.818 12.397 1.00 0.00 O ATOM 0 H ASP A 16 -6.566 8.499 13.799 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.236 10.540 13.115 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.891 10.779 13.883 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.315 10.181 12.340 1.00 0.00 H new ATOM 275 N GLY A 17 -7.213 8.787 10.541 1.00 0.00 N ATOM 276 CA GLY A 17 -7.383 8.549 9.118 1.00 0.00 C ATOM 277 C GLY A 17 -6.077 8.800 8.360 1.00 0.00 C ATOM 278 O GLY A 17 -6.095 9.285 7.230 1.00 0.00 O ATOM 0 H GLY A 17 -6.709 8.053 11.039 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.711 7.523 8.954 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -8.165 9.200 8.728 1.00 0.00 H new ATOM 282 N SER A 18 -4.976 8.460 9.014 1.00 0.00 N ATOM 283 CA SER A 18 -3.665 8.642 8.416 1.00 0.00 C ATOM 284 C SER A 18 -3.402 7.543 7.386 1.00 0.00 C ATOM 285 O SER A 18 -4.069 6.510 7.391 1.00 0.00 O ATOM 286 CB SER A 18 -2.568 8.643 9.484 1.00 0.00 C ATOM 287 OG SER A 18 -1.583 9.643 9.236 1.00 0.00 O ATOM 0 H SER A 18 -4.965 8.060 9.952 1.00 0.00 H new ATOM 0 HA SER A 18 -3.649 9.610 7.916 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.016 8.810 10.464 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.091 7.664 9.515 1.00 0.00 H new ATOM 0 HG SER A 18 -0.902 9.613 9.940 1.00 0.00 H new ATOM 293 N PHE A 19 -2.428 7.803 6.525 1.00 0.00 N ATOM 294 CA PHE A 19 -2.069 6.848 5.491 1.00 0.00 C ATOM 295 C PHE A 19 -0.597 6.444 5.605 1.00 0.00 C ATOM 296 O PHE A 19 0.289 7.294 5.559 1.00 0.00 O ATOM 297 CB PHE A 19 -2.292 7.541 4.145 1.00 0.00 C ATOM 298 CG PHE A 19 -3.663 7.268 3.525 1.00 0.00 C ATOM 299 CD1 PHE A 19 -4.189 6.015 3.563 1.00 0.00 C ATOM 300 CD2 PHE A 19 -4.355 8.279 2.934 1.00 0.00 C ATOM 301 CE1 PHE A 19 -5.462 5.761 2.986 1.00 0.00 C ATOM 302 CE2 PHE A 19 -5.629 8.025 2.357 1.00 0.00 C ATOM 303 CZ PHE A 19 -6.155 6.771 2.396 1.00 0.00 C ATOM 0 H PHE A 19 -1.877 8.661 6.523 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.674 5.947 5.590 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.172 8.616 4.277 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.519 7.217 3.449 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.639 5.213 4.032 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.937 9.274 2.903 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.879 4.765 3.016 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.179 8.827 1.888 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.123 6.578 1.958 1.00 0.00 H new ATOM 313 N TYR A 20 -0.384 5.144 5.752 1.00 0.00 N ATOM 314 CA TYR A 20 0.964 4.617 5.874 1.00 0.00 C ATOM 315 C TYR A 20 1.043 3.187 5.335 1.00 0.00 C ATOM 316 O TYR A 20 0.611 2.245 5.995 1.00 0.00 O ATOM 317 CB TYR A 20 1.278 4.602 7.371 1.00 0.00 C ATOM 318 CG TYR A 20 2.633 3.979 7.717 1.00 0.00 C ATOM 319 CD1 TYR A 20 2.737 2.614 7.899 1.00 0.00 C ATOM 320 CD2 TYR A 20 3.748 4.780 7.846 1.00 0.00 C ATOM 321 CE1 TYR A 20 4.011 2.027 8.224 1.00 0.00 C ATOM 322 CE2 TYR A 20 5.022 4.193 8.172 1.00 0.00 C ATOM 323 CZ TYR A 20 5.091 2.845 8.345 1.00 0.00 C ATOM 324 OH TYR A 20 6.293 2.291 8.652 1.00 0.00 O ATOM 0 H TYR A 20 -1.122 4.441 5.789 1.00 0.00 H new ATOM 0 HA TYR A 20 1.667 5.226 5.306 1.00 0.00 H new ATOM 0 HB2 TYR A 20 1.253 5.625 7.747 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.493 4.052 7.891 1.00 0.00 H new ATOM 0 HD1 TYR A 20 1.863 1.987 7.798 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.666 5.847 7.703 1.00 0.00 H new ATOM 0 HE1 TYR A 20 4.107 0.961 8.368 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.903 4.809 8.277 1.00 0.00 H new ATOM 0 HH TYR A 20 6.973 2.994 8.705 1.00 0.00 H new ATOM 334 N GLY A 21 1.602 3.071 4.137 1.00 0.00 N ATOM 335 CA GLY A 21 1.744 1.774 3.501 1.00 0.00 C ATOM 336 C GLY A 21 3.218 1.381 3.380 1.00 0.00 C ATOM 337 O GLY A 21 4.104 2.207 3.594 1.00 0.00 O ATOM 0 H GLY A 21 1.961 3.855 3.592 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.209 1.021 4.080 1.00 0.00 H new ATOM 0 HA3 GLY A 21 1.288 1.798 2.511 1.00 0.00 H new ATOM 341 N GLY A 22 3.435 0.120 3.035 1.00 0.00 N ATOM 342 CA GLY A 22 4.787 -0.392 2.883 1.00 0.00 C ATOM 343 C GLY A 22 4.842 -1.484 1.813 1.00 0.00 C ATOM 344 O GLY A 22 3.806 -1.968 1.361 1.00 0.00 O ATOM 0 H GLY A 22 2.698 -0.562 2.856 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.460 0.422 2.612 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.137 -0.792 3.834 1.00 0.00 H new ATOM 348 N TYR A 23 6.062 -1.841 1.440 1.00 0.00 N ATOM 349 CA TYR A 23 6.266 -2.868 0.432 1.00 0.00 C ATOM 350 C TYR A 23 7.067 -4.042 0.998 1.00 0.00 C ATOM 351 O TYR A 23 8.269 -3.924 1.229 1.00 0.00 O ATOM 352 CB TYR A 23 7.074 -2.207 -0.686 1.00 0.00 C ATOM 353 CG TYR A 23 8.472 -1.758 -0.260 1.00 0.00 C ATOM 354 CD1 TYR A 23 8.639 -0.569 0.421 1.00 0.00 C ATOM 355 CD2 TYR A 23 9.569 -2.541 -0.555 1.00 0.00 C ATOM 356 CE1 TYR A 23 9.955 -0.145 0.821 1.00 0.00 C ATOM 357 CE2 TYR A 23 10.887 -2.119 -0.153 1.00 0.00 C ATOM 358 CZ TYR A 23 11.014 -0.942 0.515 1.00 0.00 C ATOM 359 OH TYR A 23 12.258 -0.542 0.893 1.00 0.00 O ATOM 0 H TYR A 23 6.919 -1.438 1.818 1.00 0.00 H new ATOM 0 HA TYR A 23 5.310 -3.258 0.083 1.00 0.00 H new ATOM 0 HB2 TYR A 23 7.166 -2.907 -1.517 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.523 -1.343 -1.057 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.781 0.044 0.654 1.00 0.00 H new ATOM 0 HD2 TYR A 23 9.440 -3.471 -1.088 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.098 0.785 1.352 1.00 0.00 H new ATOM 0 HE2 TYR A 23 11.753 -2.724 -0.377 1.00 0.00 H new ATOM 0 HH TYR A 23 12.917 -1.210 0.609 1.00 0.00 H new ATOM 369 N THR A 24 6.368 -5.149 1.206 1.00 0.00 N ATOM 370 CA THR A 24 6.998 -6.343 1.742 1.00 0.00 C ATOM 371 C THR A 24 6.082 -7.554 1.567 1.00 0.00 C ATOM 372 O THR A 24 4.975 -7.430 1.045 1.00 0.00 O ATOM 373 CB THR A 24 7.370 -6.068 3.202 1.00 0.00 C ATOM 374 OG1 THR A 24 8.539 -6.852 3.416 1.00 0.00 O ATOM 375 CG2 THR A 24 6.349 -6.646 4.184 1.00 0.00 C ATOM 0 H THR A 24 5.371 -5.243 1.013 1.00 0.00 H new ATOM 0 HA THR A 24 7.912 -6.585 1.199 1.00 0.00 H new ATOM 0 HB THR A 24 7.457 -4.993 3.358 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.849 -6.732 4.338 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.660 -6.423 5.205 1.00 0.00 H new ATOM 0 HG22 THR A 24 5.372 -6.201 3.997 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.287 -7.726 4.051 1.00 0.00 H new ATOM 383 N THR A 25 6.577 -8.700 2.012 1.00 0.00 N ATOM 384 CA THR A 25 5.815 -9.934 1.911 1.00 0.00 C ATOM 385 C THR A 25 5.674 -10.588 3.287 1.00 0.00 C ATOM 386 O THR A 25 6.664 -10.793 3.986 1.00 0.00 O ATOM 387 CB THR A 25 6.504 -10.831 0.880 1.00 0.00 C ATOM 388 OG1 THR A 25 7.641 -11.343 1.570 1.00 0.00 O ATOM 389 CG2 THR A 25 7.101 -10.036 -0.282 1.00 0.00 C ATOM 0 H THR A 25 7.496 -8.800 2.443 1.00 0.00 H new ATOM 0 HA THR A 25 4.797 -9.744 1.570 1.00 0.00 H new ATOM 0 HB THR A 25 5.788 -11.556 0.494 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.677 -10.959 2.471 1.00 0.00 H new ATOM 0 HG21 THR A 25 7.578 -10.720 -0.984 1.00 0.00 H new ATOM 0 HG22 THR A 25 6.310 -9.486 -0.791 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.842 -9.334 0.100 1.00 0.00 H new ATOM 397 N GLU A 26 4.433 -10.898 3.635 1.00 0.00 N ATOM 398 CA GLU A 26 4.148 -11.523 4.915 1.00 0.00 C ATOM 399 C GLU A 26 4.188 -10.483 6.034 1.00 0.00 C ATOM 400 O GLU A 26 5.106 -10.483 6.854 1.00 0.00 O ATOM 401 CB GLU A 26 5.124 -12.667 5.193 1.00 0.00 C ATOM 402 CG GLU A 26 4.376 -13.983 5.421 1.00 0.00 C ATOM 403 CD GLU A 26 4.262 -14.298 6.913 1.00 0.00 C ATOM 404 OE1 GLU A 26 3.943 -13.355 7.669 1.00 0.00 O ATOM 405 OE2 GLU A 26 4.496 -15.474 7.265 1.00 0.00 O ATOM 0 H GLU A 26 3.614 -10.728 3.052 1.00 0.00 H new ATOM 0 HA GLU A 26 3.144 -11.946 4.877 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.811 -12.776 4.354 1.00 0.00 H new ATOM 0 HB3 GLU A 26 5.727 -12.431 6.070 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.380 -13.920 4.982 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.898 -14.794 4.913 1.00 0.00 H new ATOM 412 N PRO A 27 3.154 -9.598 6.035 1.00 0.00 N ATOM 413 CA PRO A 27 3.064 -8.555 7.042 1.00 0.00 C ATOM 414 C PRO A 27 2.618 -9.130 8.389 1.00 0.00 C ATOM 415 O PRO A 27 2.991 -8.614 9.441 1.00 0.00 O ATOM 416 CB PRO A 27 2.080 -7.544 6.474 1.00 0.00 C ATOM 417 CG PRO A 27 1.308 -8.280 5.390 1.00 0.00 C ATOM 418 CD PRO A 27 2.049 -9.569 5.081 1.00 0.00 C ATOM 0 HA PRO A 27 4.026 -8.084 7.247 1.00 0.00 H new ATOM 0 HB2 PRO A 27 1.409 -7.174 7.249 1.00 0.00 H new ATOM 0 HB3 PRO A 27 2.601 -6.679 6.064 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.293 -8.494 5.724 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.226 -7.663 4.495 1.00 0.00 H new ATOM 0 HD2 PRO A 27 1.400 -10.437 5.200 1.00 0.00 H new ATOM 0 HD3 PRO A 27 2.412 -9.581 4.053 1.00 0.00 H new ATOM 426 N GLU A 28 1.827 -10.189 8.311 1.00 0.00 N ATOM 427 CA GLU A 28 1.327 -10.839 9.511 1.00 0.00 C ATOM 428 C GLU A 28 2.450 -10.995 10.538 1.00 0.00 C ATOM 429 O GLU A 28 2.272 -10.671 11.710 1.00 0.00 O ATOM 430 CB GLU A 28 0.696 -12.193 9.178 1.00 0.00 C ATOM 431 CG GLU A 28 -0.693 -12.015 8.561 1.00 0.00 C ATOM 432 CD GLU A 28 -1.790 -12.254 9.601 1.00 0.00 C ATOM 433 OE1 GLU A 28 -1.905 -11.405 10.511 1.00 0.00 O ATOM 434 OE2 GLU A 28 -2.487 -13.283 9.463 1.00 0.00 O ATOM 0 H GLU A 28 1.520 -10.614 7.436 1.00 0.00 H new ATOM 0 HA GLU A 28 0.550 -10.210 9.945 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.338 -12.737 8.485 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.621 -12.796 10.083 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.787 -11.009 8.153 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.817 -12.709 7.730 1.00 0.00 H new ATOM 441 N ARG A 29 3.582 -11.490 10.059 1.00 0.00 N ATOM 442 CA ARG A 29 4.734 -11.692 10.920 1.00 0.00 C ATOM 443 C ARG A 29 5.347 -10.345 11.312 1.00 0.00 C ATOM 444 O ARG A 29 5.518 -10.058 12.495 1.00 0.00 O ATOM 445 CB ARG A 29 5.797 -12.547 10.229 1.00 0.00 C ATOM 446 CG ARG A 29 5.679 -14.014 10.648 1.00 0.00 C ATOM 447 CD ARG A 29 6.374 -14.930 9.638 1.00 0.00 C ATOM 448 NE ARG A 29 7.716 -15.308 10.139 1.00 0.00 N ATOM 449 CZ ARG A 29 8.531 -16.174 9.521 1.00 0.00 C ATOM 450 NH1 ARG A 29 8.147 -16.756 8.376 1.00 0.00 N ATOM 451 NH2 ARG A 29 9.730 -16.457 10.047 1.00 0.00 N ATOM 0 H ARG A 29 3.726 -11.757 9.085 1.00 0.00 H new ATOM 0 HA ARG A 29 4.391 -12.213 11.814 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.689 -12.464 9.148 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.789 -12.172 10.480 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.123 -14.151 11.634 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.627 -14.289 10.730 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.773 -15.824 9.472 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.465 -14.424 8.677 1.00 0.00 H new ATOM 0 HE ARG A 29 8.040 -14.883 11.008 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.234 -16.540 7.975 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.767 -17.415 7.906 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.022 -16.013 10.918 1.00 0.00 H new ATOM 0 HH22 ARG A 29 10.350 -17.116 9.577 1.00 0.00 H new ATOM 465 N ARG A 30 5.661 -9.558 10.295 1.00 0.00 N ATOM 466 CA ARG A 30 6.252 -8.248 10.517 1.00 0.00 C ATOM 467 C ARG A 30 5.424 -7.458 11.533 1.00 0.00 C ATOM 468 O ARG A 30 5.977 -6.767 12.385 1.00 0.00 O ATOM 469 CB ARG A 30 6.339 -7.454 9.212 1.00 0.00 C ATOM 470 CG ARG A 30 7.489 -6.445 9.259 1.00 0.00 C ATOM 471 CD ARG A 30 7.039 -5.077 8.745 1.00 0.00 C ATOM 472 NE ARG A 30 6.153 -4.430 9.739 1.00 0.00 N ATOM 473 CZ ARG A 30 4.816 -4.424 9.662 1.00 0.00 C ATOM 474 NH1 ARG A 30 4.201 -5.031 8.638 1.00 0.00 N ATOM 475 NH2 ARG A 30 4.093 -3.812 10.609 1.00 0.00 N ATOM 0 H ARG A 30 5.518 -9.801 9.315 1.00 0.00 H new ATOM 0 HA ARG A 30 7.260 -8.400 10.904 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.484 -8.137 8.375 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.399 -6.931 9.037 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.854 -6.351 10.282 1.00 0.00 H new ATOM 0 HG3 ARG A 30 8.321 -6.808 8.656 1.00 0.00 H new ATOM 0 HD2 ARG A 30 7.908 -4.447 8.555 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.514 -5.190 7.797 1.00 0.00 H new ATOM 0 HE ARG A 30 6.588 -3.959 10.532 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.751 -5.498 7.917 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.183 -5.026 8.580 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.561 -3.350 11.389 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.075 -3.808 10.550 1.00 0.00 H new ATOM 489 N LEU A 31 4.112 -7.587 11.406 1.00 0.00 N ATOM 490 CA LEU A 31 3.202 -6.894 12.302 1.00 0.00 C ATOM 491 C LEU A 31 3.515 -7.291 13.746 1.00 0.00 C ATOM 492 O LEU A 31 3.870 -6.443 14.565 1.00 0.00 O ATOM 493 CB LEU A 31 1.751 -7.149 11.895 1.00 0.00 C ATOM 494 CG LEU A 31 0.783 -5.979 12.089 1.00 0.00 C ATOM 495 CD1 LEU A 31 -0.536 -6.230 11.354 1.00 0.00 C ATOM 496 CD2 LEU A 31 0.565 -5.687 13.575 1.00 0.00 C ATOM 0 H LEU A 31 3.657 -8.161 10.696 1.00 0.00 H new ATOM 0 HA LEU A 31 3.343 -5.816 12.229 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.735 -7.437 10.844 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.379 -8.000 12.465 1.00 0.00 H new ATOM 0 HG LEU A 31 1.232 -5.089 11.649 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.205 -5.384 11.508 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.342 -6.349 10.288 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.002 -7.136 11.741 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.127 -4.852 13.684 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.148 -6.569 14.062 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.518 -5.432 14.039 1.00 0.00 H new ATOM 508 N THR A 32 3.372 -8.580 14.016 1.00 0.00 N ATOM 509 CA THR A 32 3.634 -9.099 15.348 1.00 0.00 C ATOM 510 C THR A 32 5.104 -8.894 15.721 1.00 0.00 C ATOM 511 O THR A 32 5.449 -8.854 16.901 1.00 0.00 O ATOM 512 CB THR A 32 3.200 -10.566 15.377 1.00 0.00 C ATOM 513 OG1 THR A 32 3.644 -11.035 16.647 1.00 0.00 O ATOM 514 CG2 THR A 32 3.970 -11.425 14.372 1.00 0.00 C ATOM 0 H THR A 32 3.078 -9.281 13.335 1.00 0.00 H new ATOM 0 HA THR A 32 3.061 -8.560 16.102 1.00 0.00 H new ATOM 0 HB THR A 32 2.132 -10.632 15.168 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.402 -11.979 16.750 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.623 -12.456 14.434 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.801 -11.045 13.364 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.035 -11.386 14.601 1.00 0.00 H new ATOM 522 N GLU A 33 5.929 -8.768 14.692 1.00 0.00 N ATOM 523 CA GLU A 33 7.354 -8.567 14.897 1.00 0.00 C ATOM 524 C GLU A 33 7.603 -7.252 15.637 1.00 0.00 C ATOM 525 O GLU A 33 8.652 -7.073 16.256 1.00 0.00 O ATOM 526 CB GLU A 33 8.109 -8.601 13.566 1.00 0.00 C ATOM 527 CG GLU A 33 9.553 -9.066 13.766 1.00 0.00 C ATOM 528 CD GLU A 33 9.629 -10.591 13.856 1.00 0.00 C ATOM 529 OE1 GLU A 33 8.897 -11.243 13.082 1.00 0.00 O ATOM 530 OE2 GLU A 33 10.420 -11.070 14.699 1.00 0.00 O ATOM 0 H GLU A 33 5.639 -8.801 13.715 1.00 0.00 H new ATOM 0 HA GLU A 33 7.733 -9.383 15.512 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.600 -9.271 12.872 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.102 -7.609 13.114 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.170 -8.716 12.938 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.959 -8.624 14.676 1.00 0.00 H new ATOM 537 N HIS A 34 6.624 -6.365 15.549 1.00 0.00 N ATOM 538 CA HIS A 34 6.724 -5.071 16.203 1.00 0.00 C ATOM 539 C HIS A 34 6.001 -5.121 17.550 1.00 0.00 C ATOM 540 O HIS A 34 6.299 -4.332 18.447 1.00 0.00 O ATOM 541 CB HIS A 34 6.202 -3.959 15.290 1.00 0.00 C ATOM 542 CG HIS A 34 5.526 -2.828 16.025 1.00 0.00 C ATOM 543 ND1 HIS A 34 4.219 -2.900 16.474 1.00 0.00 N ATOM 544 CD2 HIS A 34 5.991 -1.597 16.389 1.00 0.00 C ATOM 545 CE1 HIS A 34 3.919 -1.758 17.076 1.00 0.00 C ATOM 546 NE2 HIS A 34 5.019 -0.952 17.022 1.00 0.00 N ATOM 0 H HIS A 34 5.757 -6.516 15.034 1.00 0.00 H new ATOM 0 HA HIS A 34 7.770 -4.838 16.400 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.034 -3.557 14.712 1.00 0.00 H new ATOM 0 HB3 HIS A 34 5.497 -4.388 14.578 1.00 0.00 H new ATOM 0 HD2 HIS A 34 6.982 -1.213 16.195 1.00 0.00 H new ATOM 0 HE1 HIS A 34 2.971 -1.509 17.529 1.00 0.00 H new ATOM 0 HE2 HIS A 34 5.084 -0.009 17.405 1.00 0.00 H new ATOM 554 N ASN A 35 5.065 -6.052 17.651 1.00 0.00 N ATOM 555 CA ASN A 35 4.298 -6.214 18.874 1.00 0.00 C ATOM 556 C ASN A 35 4.990 -7.241 19.773 1.00 0.00 C ATOM 557 O ASN A 35 4.387 -7.749 20.717 1.00 0.00 O ATOM 558 CB ASN A 35 2.886 -6.722 18.575 1.00 0.00 C ATOM 559 CG ASN A 35 1.855 -5.604 18.739 1.00 0.00 C ATOM 560 OD1 ASN A 35 1.757 -4.962 19.771 1.00 0.00 O ATOM 561 ND2 ASN A 35 1.091 -5.411 17.666 1.00 0.00 N ATOM 0 H ASN A 35 4.820 -6.703 16.905 1.00 0.00 H new ATOM 0 HA ASN A 35 4.235 -5.242 19.364 1.00 0.00 H new ATOM 0 HB2 ASN A 35 2.844 -7.114 17.559 1.00 0.00 H new ATOM 0 HB3 ASN A 35 2.643 -7.547 19.245 1.00 0.00 H new ATOM 0 HD21 ASN A 35 0.370 -4.689 17.676 1.00 0.00 H new ATOM 0 HD22 ASN A 35 1.226 -5.985 16.834 1.00 0.00 H new ATOM 568 N SER A 36 6.244 -7.514 19.448 1.00 0.00 N ATOM 569 CA SER A 36 7.024 -8.471 20.214 1.00 0.00 C ATOM 570 C SER A 36 7.674 -7.775 21.412 1.00 0.00 C ATOM 571 O SER A 36 7.509 -8.209 22.552 1.00 0.00 O ATOM 572 CB SER A 36 8.092 -9.135 19.343 1.00 0.00 C ATOM 573 OG SER A 36 8.473 -10.414 19.846 1.00 0.00 O ATOM 0 H SER A 36 6.740 -7.089 18.664 1.00 0.00 H new ATOM 0 HA SER A 36 6.352 -9.250 20.574 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.715 -9.243 18.326 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.969 -8.490 19.290 1.00 0.00 H new ATOM 0 HG SER A 36 9.155 -10.806 19.261 1.00 0.00 H new ATOM 579 N GLY A 37 8.402 -6.708 21.115 1.00 0.00 N ATOM 580 CA GLY A 37 9.076 -5.948 22.154 1.00 0.00 C ATOM 581 C GLY A 37 10.094 -4.978 21.548 1.00 0.00 C ATOM 582 O GLY A 37 11.299 -5.155 21.712 1.00 0.00 O ATOM 0 H GLY A 37 8.540 -6.352 20.169 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.342 -5.393 22.738 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.580 -6.629 22.839 1.00 0.00 H new ATOM 773 N ARG A 49 -1.650 1.624 16.784 1.00 0.00 N ATOM 774 CA ARG A 49 -2.026 0.247 17.055 1.00 0.00 C ATOM 775 C ARG A 49 -3.040 -0.239 16.017 1.00 0.00 C ATOM 776 O ARG A 49 -2.840 -1.277 15.388 1.00 0.00 O ATOM 777 CB ARG A 49 -2.630 0.104 18.453 1.00 0.00 C ATOM 778 CG ARG A 49 -1.805 -0.856 19.311 1.00 0.00 C ATOM 779 CD ARG A 49 -2.659 -1.467 20.425 1.00 0.00 C ATOM 780 NE ARG A 49 -1.797 -1.884 21.553 1.00 0.00 N ATOM 781 CZ ARG A 49 -2.260 -2.364 22.716 1.00 0.00 C ATOM 782 NH1 ARG A 49 -3.580 -2.490 22.909 1.00 0.00 N ATOM 783 NH2 ARG A 49 -1.404 -2.716 23.684 1.00 0.00 N ATOM 0 HA ARG A 49 -1.122 -0.360 16.999 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.675 1.081 18.935 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.654 -0.261 18.375 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.396 -1.649 18.685 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.959 -0.325 19.746 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.396 -0.741 20.769 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.211 -2.325 20.042 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.787 -1.801 21.439 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.231 -2.221 22.172 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.934 -2.855 23.793 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.399 -2.619 23.537 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -1.757 -3.081 24.569 1.00 0.00 H new ATOM 797 N PRO A 50 -4.135 0.553 15.866 1.00 0.00 N ATOM 798 CA PRO A 50 -5.181 0.214 14.916 1.00 0.00 C ATOM 799 C PRO A 50 -4.731 0.501 13.481 1.00 0.00 C ATOM 800 O PRO A 50 -4.450 1.648 13.133 1.00 0.00 O ATOM 801 CB PRO A 50 -6.381 1.042 15.340 1.00 0.00 C ATOM 802 CG PRO A 50 -5.832 2.154 16.218 1.00 0.00 C ATOM 803 CD PRO A 50 -4.404 1.790 16.594 1.00 0.00 C ATOM 0 HA PRO A 50 -5.427 -0.848 14.921 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -6.900 1.450 14.473 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.102 0.433 15.886 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -5.856 3.106 15.688 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -6.444 2.272 17.112 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.706 2.577 16.309 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -4.301 1.647 17.670 1.00 0.00 H new ATOM 811 N VAL A 51 -4.678 -0.558 12.689 1.00 0.00 N ATOM 812 CA VAL A 51 -4.268 -0.434 11.299 1.00 0.00 C ATOM 813 C VAL A 51 -5.143 -1.340 10.432 1.00 0.00 C ATOM 814 O VAL A 51 -5.143 -2.558 10.603 1.00 0.00 O ATOM 815 CB VAL A 51 -2.775 -0.738 11.166 1.00 0.00 C ATOM 816 CG1 VAL A 51 -1.932 0.346 11.844 1.00 0.00 C ATOM 817 CG2 VAL A 51 -2.443 -2.121 11.727 1.00 0.00 C ATOM 0 H VAL A 51 -4.912 -1.507 12.982 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.410 0.588 10.947 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.528 -0.740 10.104 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.874 0.106 11.735 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.135 1.310 11.377 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.186 0.395 12.903 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.375 -2.311 11.619 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.714 -2.160 12.782 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.003 -2.880 11.180 1.00 0.00 H new ATOM 827 N ILE A 52 -5.867 -0.711 9.518 1.00 0.00 N ATOM 828 CA ILE A 52 -6.744 -1.446 8.622 1.00 0.00 C ATOM 829 C ILE A 52 -6.180 -1.389 7.201 1.00 0.00 C ATOM 830 O ILE A 52 -5.451 -0.460 6.856 1.00 0.00 O ATOM 831 CB ILE A 52 -8.180 -0.928 8.734 1.00 0.00 C ATOM 832 CG1 ILE A 52 -8.336 0.415 8.018 1.00 0.00 C ATOM 833 CG2 ILE A 52 -8.624 -0.853 10.196 1.00 0.00 C ATOM 834 CD1 ILE A 52 -9.780 0.628 7.559 1.00 0.00 C ATOM 0 H ILE A 52 -5.864 0.299 9.378 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.784 -2.497 8.907 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.839 -1.638 8.234 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -8.040 1.224 8.686 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -7.668 0.452 7.157 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -9.648 -0.482 10.247 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -8.575 -1.846 10.642 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -7.966 -0.177 10.742 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -9.863 1.590 7.053 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -10.065 -0.169 6.872 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -10.443 0.615 8.424 1.00 0.00 H new ATOM 846 N MET A 53 -6.536 -2.395 6.416 1.00 0.00 N ATOM 847 CA MET A 53 -6.073 -2.471 5.041 1.00 0.00 C ATOM 848 C MET A 53 -7.152 -1.982 4.072 1.00 0.00 C ATOM 849 O MET A 53 -8.167 -2.650 3.879 1.00 0.00 O ATOM 850 CB MET A 53 -5.703 -3.918 4.706 1.00 0.00 C ATOM 851 CG MET A 53 -4.184 -4.106 4.692 1.00 0.00 C ATOM 852 SD MET A 53 -3.757 -5.678 5.419 1.00 0.00 S ATOM 853 CE MET A 53 -2.296 -5.212 6.331 1.00 0.00 C ATOM 0 H MET A 53 -7.140 -3.164 6.706 1.00 0.00 H new ATOM 0 HA MET A 53 -5.198 -1.829 4.935 1.00 0.00 H new ATOM 0 HB2 MET A 53 -6.150 -4.590 5.439 1.00 0.00 H new ATOM 0 HB3 MET A 53 -6.115 -4.187 3.734 1.00 0.00 H new ATOM 0 HG2 MET A 53 -3.813 -4.057 3.668 1.00 0.00 H new ATOM 0 HG3 MET A 53 -3.704 -3.298 5.245 1.00 0.00 H new ATOM 0 HE1 MET A 53 -1.661 -6.087 6.472 1.00 0.00 H new ATOM 0 HE2 MET A 53 -1.748 -4.451 5.776 1.00 0.00 H new ATOM 0 HE3 MET A 53 -2.586 -4.813 7.303 1.00 0.00 H new ATOM 863 N ILE A 54 -6.894 -0.822 3.488 1.00 0.00 N ATOM 864 CA ILE A 54 -7.830 -0.236 2.543 1.00 0.00 C ATOM 865 C ILE A 54 -7.270 -0.370 1.126 1.00 0.00 C ATOM 866 O ILE A 54 -7.988 -0.165 0.148 1.00 0.00 O ATOM 867 CB ILE A 54 -8.160 1.204 2.938 1.00 0.00 C ATOM 868 CG1 ILE A 54 -7.116 2.178 2.390 1.00 0.00 C ATOM 869 CG2 ILE A 54 -8.322 1.333 4.455 1.00 0.00 C ATOM 870 CD1 ILE A 54 -5.761 1.969 3.069 1.00 0.00 C ATOM 0 H ILE A 54 -6.051 -0.272 3.650 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.778 -0.774 2.564 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.116 1.470 2.487 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.013 2.038 1.314 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -7.452 3.203 2.548 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.556 2.367 4.709 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.131 0.684 4.791 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.394 1.040 4.946 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.037 2.674 2.661 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.862 2.133 4.142 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.417 0.951 2.889 1.00 0.00 H new ATOM 882 N HIS A 55 -5.992 -0.716 1.059 1.00 0.00 N ATOM 883 CA HIS A 55 -5.327 -0.880 -0.222 1.00 0.00 C ATOM 884 C HIS A 55 -4.658 -2.254 -0.280 1.00 0.00 C ATOM 885 O HIS A 55 -4.284 -2.811 0.752 1.00 0.00 O ATOM 886 CB HIS A 55 -4.348 0.267 -0.477 1.00 0.00 C ATOM 887 CG HIS A 55 -5.013 1.588 -0.781 1.00 0.00 C ATOM 888 ND1 HIS A 55 -5.970 1.734 -1.770 1.00 0.00 N ATOM 889 CD2 HIS A 55 -4.852 2.819 -0.216 1.00 0.00 C ATOM 890 CE1 HIS A 55 -6.359 3.001 -1.792 1.00 0.00 C ATOM 891 NE2 HIS A 55 -5.665 3.671 -0.828 1.00 0.00 N ATOM 0 H HIS A 55 -5.400 -0.887 1.872 1.00 0.00 H new ATOM 0 HA HIS A 55 -6.062 -0.838 -1.025 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -3.709 0.387 0.398 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -3.699 -0.002 -1.311 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -4.177 3.060 0.592 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -7.096 3.428 -2.456 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -5.756 4.664 -0.613 1.00 0.00 H new ATOM 899 N THR A 56 -4.528 -2.764 -1.496 1.00 0.00 N ATOM 900 CA THR A 56 -3.910 -4.062 -1.703 1.00 0.00 C ATOM 901 C THR A 56 -3.394 -4.185 -3.137 1.00 0.00 C ATOM 902 O THR A 56 -4.180 -4.217 -4.084 1.00 0.00 O ATOM 903 CB THR A 56 -4.935 -5.137 -1.331 1.00 0.00 C ATOM 904 OG1 THR A 56 -6.146 -4.684 -1.931 1.00 0.00 O ATOM 905 CG2 THR A 56 -5.245 -5.156 0.167 1.00 0.00 C ATOM 0 H THR A 56 -4.841 -2.301 -2.349 1.00 0.00 H new ATOM 0 HA THR A 56 -3.035 -4.190 -1.065 1.00 0.00 H new ATOM 0 HB THR A 56 -4.563 -6.115 -1.637 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.962 -4.366 -2.840 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.977 -5.936 0.377 1.00 0.00 H new ATOM 0 HG22 THR A 56 -4.331 -5.357 0.725 1.00 0.00 H new ATOM 0 HG23 THR A 56 -5.649 -4.189 0.467 1.00 0.00 H new ATOM 913 N GLU A 57 -2.076 -4.251 -3.255 1.00 0.00 N ATOM 914 CA GLU A 57 -1.446 -4.370 -4.558 1.00 0.00 C ATOM 915 C GLU A 57 -0.173 -5.214 -4.457 1.00 0.00 C ATOM 916 O GLU A 57 0.407 -5.342 -3.380 1.00 0.00 O ATOM 917 CB GLU A 57 -1.144 -2.992 -5.149 1.00 0.00 C ATOM 918 CG GLU A 57 -1.818 -2.820 -6.512 1.00 0.00 C ATOM 919 CD GLU A 57 -2.122 -1.348 -6.793 1.00 0.00 C ATOM 920 OE1 GLU A 57 -1.152 -0.560 -6.803 1.00 0.00 O ATOM 921 OE2 GLU A 57 -3.319 -1.043 -6.989 1.00 0.00 O ATOM 0 H GLU A 57 -1.427 -4.224 -2.469 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.140 -4.873 -5.231 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.491 -2.216 -4.467 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.066 -2.865 -5.254 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.171 -3.217 -7.294 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -2.742 -3.397 -6.540 1.00 0.00 H new ATOM 928 N LYS A 58 0.224 -5.767 -5.594 1.00 0.00 N ATOM 929 CA LYS A 58 1.417 -6.594 -5.646 1.00 0.00 C ATOM 930 C LYS A 58 2.239 -6.218 -6.882 1.00 0.00 C ATOM 931 O LYS A 58 1.694 -6.086 -7.976 1.00 0.00 O ATOM 932 CB LYS A 58 1.045 -8.076 -5.583 1.00 0.00 C ATOM 933 CG LYS A 58 0.226 -8.490 -6.808 1.00 0.00 C ATOM 934 CD LYS A 58 -0.790 -9.575 -6.446 1.00 0.00 C ATOM 935 CE LYS A 58 -2.217 -9.111 -6.744 1.00 0.00 C ATOM 936 NZ LYS A 58 -2.688 -9.677 -8.029 1.00 0.00 N ATOM 0 H LYS A 58 -0.259 -5.658 -6.486 1.00 0.00 H new ATOM 0 HA LYS A 58 2.046 -6.410 -4.775 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.951 -8.680 -5.526 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.473 -8.273 -4.676 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.293 -7.621 -7.214 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.892 -8.857 -7.589 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.574 -10.483 -7.009 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.699 -9.826 -5.389 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.882 -9.420 -5.938 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.251 -8.022 -6.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.658 -9.352 -8.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.063 -9.361 -8.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.675 -10.716 -7.977 1.00 0.00 H new ATOM 950 N PHE A 59 3.536 -6.057 -6.664 1.00 0.00 N ATOM 951 CA PHE A 59 4.437 -5.699 -7.747 1.00 0.00 C ATOM 952 C PHE A 59 5.630 -6.656 -7.804 1.00 0.00 C ATOM 953 O PHE A 59 6.405 -6.747 -6.852 1.00 0.00 O ATOM 954 CB PHE A 59 4.945 -4.285 -7.457 1.00 0.00 C ATOM 955 CG PHE A 59 3.839 -3.285 -7.113 1.00 0.00 C ATOM 956 CD1 PHE A 59 2.674 -3.292 -7.815 1.00 0.00 C ATOM 957 CD2 PHE A 59 4.022 -2.390 -6.106 1.00 0.00 C ATOM 958 CE1 PHE A 59 1.648 -2.364 -7.496 1.00 0.00 C ATOM 959 CE2 PHE A 59 2.995 -1.462 -5.787 1.00 0.00 C ATOM 960 CZ PHE A 59 1.830 -1.468 -6.490 1.00 0.00 C ATOM 0 H PHE A 59 3.984 -6.168 -5.755 1.00 0.00 H new ATOM 0 HA PHE A 59 3.914 -5.755 -8.702 1.00 0.00 H new ATOM 0 HB2 PHE A 59 5.653 -4.327 -6.629 1.00 0.00 H new ATOM 0 HB3 PHE A 59 5.492 -3.921 -8.327 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.530 -4.003 -8.615 1.00 0.00 H new ATOM 0 HD2 PHE A 59 4.947 -2.385 -5.549 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.723 -2.370 -8.053 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.139 -0.752 -4.986 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.050 -0.761 -6.249 1.00 0.00 H new ATOM 970 N GLU A 60 5.743 -7.344 -8.931 1.00 0.00 N ATOM 971 CA GLU A 60 6.828 -8.289 -9.126 1.00 0.00 C ATOM 972 C GLU A 60 8.132 -7.546 -9.424 1.00 0.00 C ATOM 973 O GLU A 60 9.203 -7.964 -8.985 1.00 0.00 O ATOM 974 CB GLU A 60 6.496 -9.283 -10.240 1.00 0.00 C ATOM 975 CG GLU A 60 7.436 -10.490 -10.194 1.00 0.00 C ATOM 976 CD GLU A 60 6.989 -11.569 -11.183 1.00 0.00 C ATOM 977 OE1 GLU A 60 6.064 -12.327 -10.819 1.00 0.00 O ATOM 978 OE2 GLU A 60 7.584 -11.613 -12.283 1.00 0.00 O ATOM 0 H GLU A 60 5.100 -7.265 -9.719 1.00 0.00 H new ATOM 0 HA GLU A 60 6.959 -8.857 -8.205 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.463 -9.617 -10.139 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.578 -8.790 -11.209 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.452 -10.174 -10.430 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.456 -10.902 -9.185 1.00 0.00 H new ATOM 985 N THR A 61 7.999 -6.458 -10.167 1.00 0.00 N ATOM 986 CA THR A 61 9.153 -5.653 -10.530 1.00 0.00 C ATOM 987 C THR A 61 9.236 -4.410 -9.642 1.00 0.00 C ATOM 988 O THR A 61 8.232 -3.975 -9.082 1.00 0.00 O ATOM 989 CB THR A 61 9.053 -5.328 -12.022 1.00 0.00 C ATOM 990 OG1 THR A 61 7.809 -4.646 -12.146 1.00 0.00 O ATOM 991 CG2 THR A 61 8.880 -6.580 -12.884 1.00 0.00 C ATOM 0 H THR A 61 7.109 -6.114 -10.528 1.00 0.00 H new ATOM 0 HA THR A 61 10.083 -6.197 -10.363 1.00 0.00 H new ATOM 0 HB THR A 61 9.948 -4.792 -12.337 1.00 0.00 H new ATOM 0 HG1 THR A 61 7.665 -4.397 -13.083 1.00 0.00 H new ATOM 0 HG21 THR A 61 8.814 -6.293 -13.933 1.00 0.00 H new ATOM 0 HG22 THR A 61 9.735 -7.241 -12.741 1.00 0.00 H new ATOM 0 HG23 THR A 61 7.967 -7.099 -12.592 1.00 0.00 H new ATOM 999 N ARG A 62 10.444 -3.874 -9.540 1.00 0.00 N ATOM 1000 CA ARG A 62 10.672 -2.689 -8.729 1.00 0.00 C ATOM 1001 C ARG A 62 10.348 -1.428 -9.531 1.00 0.00 C ATOM 1002 O ARG A 62 9.779 -0.477 -8.998 1.00 0.00 O ATOM 1003 CB ARG A 62 12.122 -2.623 -8.247 1.00 0.00 C ATOM 1004 CG ARG A 62 12.189 -2.542 -6.722 1.00 0.00 C ATOM 1005 CD ARG A 62 12.640 -1.154 -6.265 1.00 0.00 C ATOM 1006 NE ARG A 62 14.071 -1.183 -5.891 1.00 0.00 N ATOM 1007 CZ ARG A 62 14.765 -0.106 -5.497 1.00 0.00 C ATOM 1008 NH1 ARG A 62 14.166 1.091 -5.426 1.00 0.00 N ATOM 1009 NH2 ARG A 62 16.061 -0.226 -5.175 1.00 0.00 N ATOM 0 H ARG A 62 11.275 -4.238 -10.005 1.00 0.00 H new ATOM 0 HA ARG A 62 10.016 -2.749 -7.861 1.00 0.00 H new ATOM 0 HB2 ARG A 62 12.664 -3.503 -8.592 1.00 0.00 H new ATOM 0 HB3 ARG A 62 12.615 -1.754 -8.683 1.00 0.00 H new ATOM 0 HG2 ARG A 62 11.210 -2.767 -6.299 1.00 0.00 H new ATOM 0 HG3 ARG A 62 12.880 -3.295 -6.344 1.00 0.00 H new ATOM 0 HD2 ARG A 62 12.479 -0.430 -7.063 1.00 0.00 H new ATOM 0 HD3 ARG A 62 12.040 -0.830 -5.415 1.00 0.00 H new ATOM 0 HE ARG A 62 14.559 -2.077 -5.936 1.00 0.00 H new ATOM 0 HH11 ARG A 62 13.180 1.183 -5.672 1.00 0.00 H new ATOM 0 HH12 ARG A 62 14.696 1.909 -5.126 1.00 0.00 H new ATOM 0 HH21 ARG A 62 16.518 -1.136 -5.230 1.00 0.00 H new ATOM 0 HH22 ARG A 62 16.590 0.593 -4.875 1.00 0.00 H new ATOM 1023 N SER A 63 10.727 -1.459 -10.801 1.00 0.00 N ATOM 1024 CA SER A 63 10.484 -0.329 -11.682 1.00 0.00 C ATOM 1025 C SER A 63 9.045 0.163 -11.516 1.00 0.00 C ATOM 1026 O SER A 63 8.805 1.367 -11.429 1.00 0.00 O ATOM 1027 CB SER A 63 10.753 -0.700 -13.142 1.00 0.00 C ATOM 1028 OG SER A 63 12.144 -0.665 -13.454 1.00 0.00 O ATOM 0 H SER A 63 11.200 -2.249 -11.240 1.00 0.00 H new ATOM 0 HA SER A 63 11.170 0.472 -11.407 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.362 -1.698 -13.341 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.217 -0.012 -13.796 1.00 0.00 H new ATOM 0 HG SER A 63 12.275 -0.909 -14.394 1.00 0.00 H new ATOM 1034 N GLU A 64 8.127 -0.790 -11.480 1.00 0.00 N ATOM 1035 CA GLU A 64 6.719 -0.468 -11.327 1.00 0.00 C ATOM 1036 C GLU A 64 6.418 -0.074 -9.879 1.00 0.00 C ATOM 1037 O GLU A 64 5.603 0.812 -9.629 1.00 0.00 O ATOM 1038 CB GLU A 64 5.837 -1.637 -11.772 1.00 0.00 C ATOM 1039 CG GLU A 64 5.624 -1.616 -13.287 1.00 0.00 C ATOM 1040 CD GLU A 64 4.610 -0.541 -13.684 1.00 0.00 C ATOM 1041 OE1 GLU A 64 3.489 -0.589 -13.138 1.00 0.00 O ATOM 1042 OE2 GLU A 64 4.983 0.304 -14.526 1.00 0.00 O ATOM 0 H GLU A 64 8.331 -1.787 -11.554 1.00 0.00 H new ATOM 0 HA GLU A 64 6.490 0.382 -11.969 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.300 -2.579 -11.479 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.874 -1.584 -11.265 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.573 -1.428 -13.789 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.274 -2.592 -13.622 1.00 0.00 H new ATOM 1049 N ALA A 65 7.092 -0.753 -8.963 1.00 0.00 N ATOM 1050 CA ALA A 65 6.909 -0.487 -7.546 1.00 0.00 C ATOM 1051 C ALA A 65 7.283 0.968 -7.254 1.00 0.00 C ATOM 1052 O ALA A 65 6.495 1.710 -6.666 1.00 0.00 O ATOM 1053 CB ALA A 65 7.738 -1.478 -6.728 1.00 0.00 C ATOM 0 H ALA A 65 7.767 -1.488 -9.175 1.00 0.00 H new ATOM 0 HA ALA A 65 5.866 -0.624 -7.261 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.600 -1.278 -5.665 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.414 -2.495 -6.951 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.792 -1.369 -6.984 1.00 0.00 H new ATOM 1059 N THR A 66 8.484 1.334 -7.677 1.00 0.00 N ATOM 1060 CA THR A 66 8.971 2.686 -7.467 1.00 0.00 C ATOM 1061 C THR A 66 8.112 3.689 -8.240 1.00 0.00 C ATOM 1062 O THR A 66 7.946 4.830 -7.812 1.00 0.00 O ATOM 1063 CB THR A 66 10.449 2.723 -7.860 1.00 0.00 C ATOM 1064 OG1 THR A 66 10.881 4.022 -7.464 1.00 0.00 O ATOM 1065 CG2 THR A 66 10.652 2.707 -9.376 1.00 0.00 C ATOM 0 H THR A 66 9.134 0.717 -8.164 1.00 0.00 H new ATOM 0 HA THR A 66 8.891 2.976 -6.419 1.00 0.00 H new ATOM 0 HB THR A 66 10.964 1.871 -7.417 1.00 0.00 H new ATOM 0 HG1 THR A 66 11.830 4.131 -7.681 1.00 0.00 H new ATOM 0 HG21 THR A 66 11.718 2.735 -9.601 1.00 0.00 H new ATOM 0 HG22 THR A 66 10.217 1.798 -9.792 1.00 0.00 H new ATOM 0 HG23 THR A 66 10.166 3.577 -9.817 1.00 0.00 H new ATOM 1073 N LYS A 67 7.588 3.225 -9.366 1.00 0.00 N ATOM 1074 CA LYS A 67 6.751 4.067 -10.203 1.00 0.00 C ATOM 1075 C LYS A 67 5.420 4.324 -9.492 1.00 0.00 C ATOM 1076 O LYS A 67 4.889 5.433 -9.542 1.00 0.00 O ATOM 1077 CB LYS A 67 6.594 3.453 -11.595 1.00 0.00 C ATOM 1078 CG LYS A 67 5.684 4.310 -12.474 1.00 0.00 C ATOM 1079 CD LYS A 67 6.033 4.143 -13.955 1.00 0.00 C ATOM 1080 CE LYS A 67 6.752 5.384 -14.491 1.00 0.00 C ATOM 1081 NZ LYS A 67 6.319 5.673 -15.877 1.00 0.00 N ATOM 0 H LYS A 67 7.727 2.278 -9.717 1.00 0.00 H new ATOM 0 HA LYS A 67 7.223 5.037 -10.359 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.572 3.355 -12.065 1.00 0.00 H new ATOM 0 HB3 LYS A 67 6.180 2.448 -11.508 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.644 4.030 -12.308 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.781 5.358 -12.190 1.00 0.00 H new ATOM 0 HD2 LYS A 67 6.666 3.266 -14.087 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.123 3.968 -14.530 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.539 6.240 -13.851 1.00 0.00 H new ATOM 0 HE3 LYS A 67 7.830 5.227 -14.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 6.815 6.517 -16.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.544 4.861 -16.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 5.293 5.843 -15.892 1.00 0.00 H new ATOM 1095 N ALA A 68 4.921 3.282 -8.845 1.00 0.00 N ATOM 1096 CA ALA A 68 3.663 3.380 -8.124 1.00 0.00 C ATOM 1097 C ALA A 68 3.823 4.359 -6.960 1.00 0.00 C ATOM 1098 O ALA A 68 2.862 5.012 -6.557 1.00 0.00 O ATOM 1099 CB ALA A 68 3.230 1.988 -7.660 1.00 0.00 C ATOM 0 H ALA A 68 5.365 2.365 -8.805 1.00 0.00 H new ATOM 0 HA ALA A 68 2.877 3.766 -8.774 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.286 2.062 -7.119 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.102 1.339 -8.526 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.993 1.570 -7.003 1.00 0.00 H new ATOM 1105 N GLU A 69 5.045 4.430 -6.451 1.00 0.00 N ATOM 1106 CA GLU A 69 5.343 5.319 -5.340 1.00 0.00 C ATOM 1107 C GLU A 69 5.371 6.773 -5.818 1.00 0.00 C ATOM 1108 O GLU A 69 4.705 7.632 -5.241 1.00 0.00 O ATOM 1109 CB GLU A 69 6.663 4.935 -4.672 1.00 0.00 C ATOM 1110 CG GLU A 69 6.614 5.206 -3.166 1.00 0.00 C ATOM 1111 CD GLU A 69 6.736 6.702 -2.873 1.00 0.00 C ATOM 1112 OE1 GLU A 69 5.722 7.404 -3.077 1.00 0.00 O ATOM 1113 OE2 GLU A 69 7.839 7.110 -2.452 1.00 0.00 O ATOM 0 H GLU A 69 5.840 3.887 -6.787 1.00 0.00 H new ATOM 0 HA GLU A 69 4.554 5.218 -4.595 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.871 3.880 -4.849 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.480 5.500 -5.121 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.678 4.827 -2.755 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.422 4.668 -2.670 1.00 0.00 H new ATOM 1120 N ALA A 70 6.149 7.004 -6.865 1.00 0.00 N ATOM 1121 CA ALA A 70 6.273 8.338 -7.425 1.00 0.00 C ATOM 1122 C ALA A 70 4.881 8.956 -7.573 1.00 0.00 C ATOM 1123 O ALA A 70 4.675 10.120 -7.233 1.00 0.00 O ATOM 1124 CB ALA A 70 7.024 8.265 -8.756 1.00 0.00 C ATOM 0 H ALA A 70 6.700 6.289 -7.340 1.00 0.00 H new ATOM 0 HA ALA A 70 6.850 8.981 -6.760 1.00 0.00 H new ATOM 0 HB1 ALA A 70 7.117 9.266 -9.177 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.017 7.847 -8.591 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.474 7.630 -9.450 1.00 0.00 H new ATOM 1130 N ALA A 71 3.961 8.149 -8.081 1.00 0.00 N ATOM 1131 CA ALA A 71 2.596 8.602 -8.278 1.00 0.00 C ATOM 1132 C ALA A 71 1.967 8.919 -6.920 1.00 0.00 C ATOM 1133 O ALA A 71 1.421 10.003 -6.723 1.00 0.00 O ATOM 1134 CB ALA A 71 1.811 7.537 -9.048 1.00 0.00 C ATOM 0 H ALA A 71 4.135 7.184 -8.362 1.00 0.00 H new ATOM 0 HA ALA A 71 2.577 9.516 -8.872 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.786 7.877 -9.196 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.281 7.368 -10.017 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.806 6.607 -8.480 1.00 0.00 H new ATOM 1140 N PHE A 72 2.064 7.953 -6.017 1.00 0.00 N ATOM 1141 CA PHE A 72 1.513 8.116 -4.683 1.00 0.00 C ATOM 1142 C PHE A 72 1.910 9.468 -4.087 1.00 0.00 C ATOM 1143 O PHE A 72 1.214 9.998 -3.223 1.00 0.00 O ATOM 1144 CB PHE A 72 2.097 6.998 -3.818 1.00 0.00 C ATOM 1145 CG PHE A 72 1.063 5.976 -3.339 1.00 0.00 C ATOM 1146 CD1 PHE A 72 0.757 4.904 -4.117 1.00 0.00 C ATOM 1147 CD2 PHE A 72 0.451 6.142 -2.136 1.00 0.00 C ATOM 1148 CE1 PHE A 72 -0.203 3.956 -3.673 1.00 0.00 C ATOM 1149 CE2 PHE A 72 -0.509 5.193 -1.693 1.00 0.00 C ATOM 1150 CZ PHE A 72 -0.816 4.121 -2.471 1.00 0.00 C ATOM 0 H PHE A 72 2.517 7.054 -6.184 1.00 0.00 H new ATOM 0 HA PHE A 72 0.425 8.073 -4.722 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.869 6.479 -4.386 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.584 7.441 -2.949 1.00 0.00 H new ATOM 0 HD1 PHE A 72 1.244 4.773 -5.072 1.00 0.00 H new ATOM 0 HD2 PHE A 72 0.694 6.994 -1.518 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -0.446 3.104 -4.291 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -0.995 5.323 -0.738 1.00 0.00 H new ATOM 0 HZ PHE A 72 -1.547 3.401 -2.134 1.00 0.00 H new ATOM 1160 N LYS A 73 3.029 9.987 -4.572 1.00 0.00 N ATOM 1161 CA LYS A 73 3.527 11.267 -4.098 1.00 0.00 C ATOM 1162 C LYS A 73 2.661 12.390 -4.672 1.00 0.00 C ATOM 1163 O LYS A 73 2.373 13.369 -3.985 1.00 0.00 O ATOM 1164 CB LYS A 73 5.016 11.413 -4.417 1.00 0.00 C ATOM 1165 CG LYS A 73 5.799 11.867 -3.184 1.00 0.00 C ATOM 1166 CD LYS A 73 6.713 13.048 -3.517 1.00 0.00 C ATOM 1167 CE LYS A 73 7.856 13.160 -2.506 1.00 0.00 C ATOM 1168 NZ LYS A 73 8.737 14.300 -2.844 1.00 0.00 N ATOM 0 H LYS A 73 3.605 9.544 -5.288 1.00 0.00 H new ATOM 0 HA LYS A 73 3.450 11.328 -3.012 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.410 10.461 -4.772 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.150 12.134 -5.223 1.00 0.00 H new ATOM 0 HG2 LYS A 73 5.105 12.152 -2.393 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.395 11.038 -2.802 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.121 12.925 -4.520 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.134 13.971 -3.520 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.450 13.291 -1.503 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.434 12.236 -2.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.507 14.362 -2.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 9.138 14.159 -3.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.185 15.181 -2.829 1.00 0.00 H new ATOM 1182 N LYS A 74 2.272 12.212 -5.925 1.00 0.00 N ATOM 1183 CA LYS A 74 1.444 13.199 -6.599 1.00 0.00 C ATOM 1184 C LYS A 74 -0.016 12.999 -6.192 1.00 0.00 C ATOM 1185 O LYS A 74 -0.721 13.963 -5.900 1.00 0.00 O ATOM 1186 CB LYS A 74 1.674 13.148 -8.112 1.00 0.00 C ATOM 1187 CG LYS A 74 2.911 13.958 -8.506 1.00 0.00 C ATOM 1188 CD LYS A 74 3.199 13.825 -10.002 1.00 0.00 C ATOM 1189 CE LYS A 74 4.029 12.573 -10.293 1.00 0.00 C ATOM 1190 NZ LYS A 74 4.258 12.430 -11.748 1.00 0.00 N ATOM 0 H LYS A 74 2.514 11.399 -6.492 1.00 0.00 H new ATOM 0 HA LYS A 74 1.725 14.206 -6.290 1.00 0.00 H new ATOM 0 HB2 LYS A 74 1.796 12.113 -8.430 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.798 13.539 -8.630 1.00 0.00 H new ATOM 0 HG2 LYS A 74 2.759 15.007 -8.253 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.773 13.614 -7.934 1.00 0.00 H new ATOM 0 HD2 LYS A 74 2.260 13.779 -10.554 1.00 0.00 H new ATOM 0 HD3 LYS A 74 3.732 14.709 -10.353 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.985 12.634 -9.773 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.514 11.691 -9.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 4.823 11.575 -11.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 3.344 12.350 -12.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.769 13.264 -12.103 1.00 0.00 H new ATOM 1204 N LEU A 75 -0.428 11.739 -6.186 1.00 0.00 N ATOM 1205 CA LEU A 75 -1.793 11.400 -5.820 1.00 0.00 C ATOM 1206 C LEU A 75 -2.111 11.998 -4.449 1.00 0.00 C ATOM 1207 O LEU A 75 -1.208 12.388 -3.712 1.00 0.00 O ATOM 1208 CB LEU A 75 -2.006 9.887 -5.896 1.00 0.00 C ATOM 1209 CG LEU A 75 -1.719 9.235 -7.249 1.00 0.00 C ATOM 1210 CD1 LEU A 75 -1.756 7.709 -7.142 1.00 0.00 C ATOM 1211 CD2 LEU A 75 -2.677 9.757 -8.323 1.00 0.00 C ATOM 0 H LEU A 75 0.159 10.941 -6.429 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.498 11.834 -6.529 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.373 9.413 -5.146 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.039 9.672 -5.624 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.710 9.512 -7.554 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.549 7.271 -8.118 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.003 7.376 -6.427 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.743 7.392 -6.804 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.452 9.278 -9.276 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.704 9.530 -8.036 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.559 10.836 -8.423 1.00 0.00 H new ATOM 1223 N THR A 76 -3.401 12.052 -4.147 1.00 0.00 N ATOM 1224 CA THR A 76 -3.850 12.595 -2.877 1.00 0.00 C ATOM 1225 C THR A 76 -4.828 11.633 -2.200 1.00 0.00 C ATOM 1226 O THR A 76 -5.137 10.573 -2.743 1.00 0.00 O ATOM 1227 CB THR A 76 -4.446 13.981 -3.141 1.00 0.00 C ATOM 1228 OG1 THR A 76 -5.209 14.259 -1.970 1.00 0.00 O ATOM 1229 CG2 THR A 76 -5.483 13.967 -4.266 1.00 0.00 C ATOM 0 H THR A 76 -4.149 11.728 -4.761 1.00 0.00 H new ATOM 0 HA THR A 76 -3.020 12.708 -2.180 1.00 0.00 H new ATOM 0 HB THR A 76 -3.647 14.678 -3.392 1.00 0.00 H new ATOM 0 HG1 THR A 76 -5.629 15.140 -2.055 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.874 14.974 -4.413 1.00 0.00 H new ATOM 0 HG22 THR A 76 -5.015 13.622 -5.188 1.00 0.00 H new ATOM 0 HG23 THR A 76 -6.299 13.296 -4.000 1.00 0.00 H new ATOM 1237 N ARG A 77 -5.286 12.036 -1.024 1.00 0.00 N ATOM 1238 CA ARG A 77 -6.221 11.222 -0.267 1.00 0.00 C ATOM 1239 C ARG A 77 -7.351 10.729 -1.174 1.00 0.00 C ATOM 1240 O ARG A 77 -8.024 9.749 -0.855 1.00 0.00 O ATOM 1241 CB ARG A 77 -6.821 12.012 0.899 1.00 0.00 C ATOM 1242 CG ARG A 77 -7.751 11.132 1.737 1.00 0.00 C ATOM 1243 CD ARG A 77 -9.159 11.726 1.799 1.00 0.00 C ATOM 1244 NE ARG A 77 -10.160 10.642 1.908 1.00 0.00 N ATOM 1245 CZ ARG A 77 -10.461 10.007 3.050 1.00 0.00 C ATOM 1246 NH1 ARG A 77 -9.835 10.343 4.186 1.00 0.00 N ATOM 1247 NH2 ARG A 77 -11.382 9.035 3.054 1.00 0.00 N ATOM 0 H ARG A 77 -5.027 12.915 -0.577 1.00 0.00 H new ATOM 0 HA ARG A 77 -5.671 10.369 0.131 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -6.021 12.403 1.527 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -7.374 12.870 0.516 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -7.793 10.131 1.309 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -7.350 11.031 2.746 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -9.242 12.397 2.654 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -9.351 12.322 0.907 1.00 0.00 H new ATOM 0 HE ARG A 77 -10.652 10.360 1.061 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -9.131 11.081 4.181 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -10.063 9.861 5.056 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -11.855 8.777 2.188 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -11.610 8.552 3.923 1.00 0.00 H new ATOM 1261 N LYS A 78 -7.523 11.430 -2.285 1.00 0.00 N ATOM 1262 CA LYS A 78 -8.559 11.075 -3.240 1.00 0.00 C ATOM 1263 C LYS A 78 -7.947 10.234 -4.362 1.00 0.00 C ATOM 1264 O LYS A 78 -8.170 9.026 -4.429 1.00 0.00 O ATOM 1265 CB LYS A 78 -9.282 12.329 -3.737 1.00 0.00 C ATOM 1266 CG LYS A 78 -10.795 12.110 -3.775 1.00 0.00 C ATOM 1267 CD LYS A 78 -11.491 13.227 -4.559 1.00 0.00 C ATOM 1268 CE LYS A 78 -13.000 12.984 -4.633 1.00 0.00 C ATOM 1269 NZ LYS A 78 -13.674 14.123 -5.296 1.00 0.00 N ATOM 0 H LYS A 78 -6.963 12.242 -2.545 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.323 10.462 -2.762 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.049 13.170 -3.084 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.923 12.589 -4.733 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -11.015 11.146 -4.234 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -11.187 12.075 -2.758 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.296 14.187 -4.082 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -11.078 13.282 -5.566 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -13.200 12.064 -5.183 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -13.403 12.849 -3.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -14.698 13.944 -5.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -13.497 14.994 -4.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -13.301 14.233 -6.261 1.00 0.00 H new ATOM 1283 N GLN A 79 -7.187 10.906 -5.214 1.00 0.00 N ATOM 1284 CA GLN A 79 -6.540 10.235 -6.329 1.00 0.00 C ATOM 1285 C GLN A 79 -6.061 8.844 -5.907 1.00 0.00 C ATOM 1286 O GLN A 79 -6.056 7.914 -6.712 1.00 0.00 O ATOM 1287 CB GLN A 79 -5.381 11.071 -6.875 1.00 0.00 C ATOM 1288 CG GLN A 79 -5.588 11.394 -8.357 1.00 0.00 C ATOM 1289 CD GLN A 79 -6.491 12.616 -8.530 1.00 0.00 C ATOM 1290 OE1 GLN A 79 -7.697 12.513 -8.674 1.00 0.00 O ATOM 1291 NE2 GLN A 79 -5.841 13.776 -8.510 1.00 0.00 N ATOM 0 H GLN A 79 -7.005 11.908 -5.155 1.00 0.00 H new ATOM 0 HA GLN A 79 -7.270 10.119 -7.130 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -5.296 11.997 -6.306 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -4.444 10.529 -6.745 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -4.624 11.580 -8.831 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -6.031 10.535 -8.862 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -4.829 13.791 -8.385 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -6.355 14.650 -8.619 1.00 0.00 H new ATOM 1300 N LYS A 80 -5.671 8.746 -4.644 1.00 0.00 N ATOM 1301 CA LYS A 80 -5.191 7.484 -4.105 1.00 0.00 C ATOM 1302 C LYS A 80 -6.357 6.497 -4.015 1.00 0.00 C ATOM 1303 O LYS A 80 -6.390 5.501 -4.736 1.00 0.00 O ATOM 1304 CB LYS A 80 -4.472 7.709 -2.775 1.00 0.00 C ATOM 1305 CG LYS A 80 -3.027 8.159 -3.002 1.00 0.00 C ATOM 1306 CD LYS A 80 -2.691 9.379 -2.140 1.00 0.00 C ATOM 1307 CE LYS A 80 -1.220 9.363 -1.719 1.00 0.00 C ATOM 1308 NZ LYS A 80 -1.100 9.157 -0.259 1.00 0.00 N ATOM 0 H LYS A 80 -5.678 9.519 -3.979 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.449 7.042 -4.771 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.004 8.462 -2.193 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.483 6.788 -2.191 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -2.346 7.342 -2.763 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -2.879 8.401 -4.054 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -2.904 10.292 -2.696 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.327 9.390 -1.255 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.693 8.569 -2.249 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -0.745 10.303 -2.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -0.095 9.149 0.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.586 9.929 0.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -1.535 8.249 0.000 1.00 0.00 H new ATOM 1322 N GLU A 81 -7.287 6.809 -3.123 1.00 0.00 N ATOM 1323 CA GLU A 81 -8.451 5.962 -2.930 1.00 0.00 C ATOM 1324 C GLU A 81 -8.938 5.412 -4.272 1.00 0.00 C ATOM 1325 O GLU A 81 -9.285 4.237 -4.377 1.00 0.00 O ATOM 1326 CB GLU A 81 -9.569 6.722 -2.211 1.00 0.00 C ATOM 1327 CG GLU A 81 -10.593 5.755 -1.614 1.00 0.00 C ATOM 1328 CD GLU A 81 -10.403 5.622 -0.101 1.00 0.00 C ATOM 1329 OE1 GLU A 81 -9.232 5.500 0.315 1.00 0.00 O ATOM 1330 OE2 GLU A 81 -11.434 5.643 0.604 1.00 0.00 O ATOM 0 H GLU A 81 -7.257 7.636 -2.527 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.163 5.121 -2.299 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.143 7.340 -1.421 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.064 7.395 -2.911 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.601 6.109 -1.828 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -10.492 4.777 -2.084 1.00 0.00 H new ATOM 1337 N GLN A 82 -8.948 6.288 -5.265 1.00 0.00 N ATOM 1338 CA GLN A 82 -9.386 5.905 -6.597 1.00 0.00 C ATOM 1339 C GLN A 82 -8.280 5.131 -7.317 1.00 0.00 C ATOM 1340 O GLN A 82 -8.497 4.007 -7.769 1.00 0.00 O ATOM 1341 CB GLN A 82 -9.813 7.132 -7.408 1.00 0.00 C ATOM 1342 CG GLN A 82 -11.327 7.340 -7.329 1.00 0.00 C ATOM 1343 CD GLN A 82 -12.076 6.116 -7.857 1.00 0.00 C ATOM 1344 OE1 GLN A 82 -12.092 5.828 -9.042 1.00 0.00 O ATOM 1345 NE2 GLN A 82 -12.697 5.412 -6.914 1.00 0.00 N ATOM 0 H GLN A 82 -8.660 7.262 -5.175 1.00 0.00 H new ATOM 0 HA GLN A 82 -10.255 5.254 -6.499 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -9.300 8.017 -7.032 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.513 7.007 -8.448 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -11.618 7.531 -6.296 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -11.608 8.220 -7.908 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -12.644 5.707 -5.939 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -13.226 4.577 -7.166 1.00 0.00 H new ATOM 1354 N TYR A 83 -7.118 5.762 -7.402 1.00 0.00 N ATOM 1355 CA TYR A 83 -5.978 5.146 -8.060 1.00 0.00 C ATOM 1356 C TYR A 83 -5.932 3.642 -7.781 1.00 0.00 C ATOM 1357 O TYR A 83 -5.568 2.856 -8.655 1.00 0.00 O ATOM 1358 CB TYR A 83 -4.736 5.803 -7.454 1.00 0.00 C ATOM 1359 CG TYR A 83 -3.452 4.990 -7.634 1.00 0.00 C ATOM 1360 CD1 TYR A 83 -3.230 4.301 -8.808 1.00 0.00 C ATOM 1361 CD2 TYR A 83 -2.515 4.947 -6.620 1.00 0.00 C ATOM 1362 CE1 TYR A 83 -2.022 3.537 -8.978 1.00 0.00 C ATOM 1363 CE2 TYR A 83 -1.308 4.183 -6.789 1.00 0.00 C ATOM 1364 CZ TYR A 83 -1.120 3.515 -7.960 1.00 0.00 C ATOM 1365 OH TYR A 83 0.022 2.793 -8.120 1.00 0.00 O ATOM 0 H TYR A 83 -6.941 6.694 -7.026 1.00 0.00 H new ATOM 0 HA TYR A 83 -6.038 5.282 -9.140 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -4.599 6.785 -7.907 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -4.906 5.964 -6.389 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -3.963 4.335 -9.600 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -2.689 5.487 -5.701 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -1.836 2.994 -9.893 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -0.567 4.140 -6.004 1.00 0.00 H new ATOM 0 HH TYR A 83 0.267 2.774 -9.069 1.00 0.00 H new ATOM 1375 N LEU A 84 -6.304 3.287 -6.560 1.00 0.00 N ATOM 1376 CA LEU A 84 -6.309 1.891 -6.155 1.00 0.00 C ATOM 1377 C LEU A 84 -7.665 1.271 -6.497 1.00 0.00 C ATOM 1378 O LEU A 84 -7.731 0.264 -7.201 1.00 0.00 O ATOM 1379 CB LEU A 84 -5.927 1.760 -4.679 1.00 0.00 C ATOM 1380 CG LEU A 84 -4.468 2.061 -4.334 1.00 0.00 C ATOM 1381 CD1 LEU A 84 -4.340 3.403 -3.612 1.00 0.00 C ATOM 1382 CD2 LEU A 84 -3.847 0.916 -3.530 1.00 0.00 C ATOM 0 H LEU A 84 -6.604 3.942 -5.838 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.554 1.331 -6.706 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.562 2.430 -4.099 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.154 0.745 -4.354 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.907 2.142 -5.265 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.292 3.592 -3.378 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.718 4.199 -4.254 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.918 3.376 -2.688 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.809 1.155 -3.298 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.404 0.778 -2.603 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.885 -0.002 -4.116 1.00 0.00 H new ATOM 1394 N LYS A 85 -8.714 1.898 -5.985 1.00 0.00 N ATOM 1395 CA LYS A 85 -10.064 1.420 -6.228 1.00 0.00 C ATOM 1396 C LYS A 85 -10.232 1.113 -7.718 1.00 0.00 C ATOM 1397 O LYS A 85 -10.682 0.029 -8.085 1.00 0.00 O ATOM 1398 CB LYS A 85 -11.091 2.415 -5.686 1.00 0.00 C ATOM 1399 CG LYS A 85 -11.362 2.170 -4.201 1.00 0.00 C ATOM 1400 CD LYS A 85 -12.666 2.842 -3.764 1.00 0.00 C ATOM 1401 CE LYS A 85 -13.175 2.246 -2.449 1.00 0.00 C ATOM 1402 NZ LYS A 85 -13.712 3.310 -1.572 1.00 0.00 N ATOM 0 H LYS A 85 -8.656 2.733 -5.403 1.00 0.00 H new ATOM 0 HA LYS A 85 -10.241 0.490 -5.688 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -10.728 3.433 -5.830 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -12.021 2.326 -6.248 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -11.419 1.098 -4.010 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -10.533 2.556 -3.608 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -12.505 3.913 -3.644 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -13.421 2.718 -4.540 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -13.951 1.509 -2.653 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -12.364 1.723 -1.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -14.053 2.889 -0.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -12.962 3.999 -1.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -14.499 3.791 -2.052 1.00 0.00 H new ATOM 1416 N THR A 86 -9.859 2.087 -8.536 1.00 0.00 N ATOM 1417 CA THR A 86 -9.963 1.934 -9.976 1.00 0.00 C ATOM 1418 C THR A 86 -9.494 0.541 -10.400 1.00 0.00 C ATOM 1419 O THR A 86 -9.966 0.001 -11.399 1.00 0.00 O ATOM 1420 CB THR A 86 -9.169 3.068 -10.630 1.00 0.00 C ATOM 1421 OG1 THR A 86 -9.849 3.303 -11.860 1.00 0.00 O ATOM 1422 CG2 THR A 86 -7.767 2.630 -11.057 1.00 0.00 C ATOM 0 H THR A 86 -9.485 2.984 -8.228 1.00 0.00 H new ATOM 0 HA THR A 86 -10.999 2.009 -10.308 1.00 0.00 H new ATOM 0 HB THR A 86 -9.092 3.905 -9.936 1.00 0.00 H new ATOM 0 HG1 THR A 86 -9.401 4.025 -12.348 1.00 0.00 H new ATOM 0 HG21 THR A 86 -7.247 3.471 -11.515 1.00 0.00 H new ATOM 0 HG22 THR A 86 -7.210 2.291 -10.184 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.844 1.815 -11.777 1.00 0.00 H new ATOM 1430 N PHE A 87 -8.570 0.000 -9.620 1.00 0.00 N ATOM 1431 CA PHE A 87 -8.032 -1.320 -9.903 1.00 0.00 C ATOM 1432 C PHE A 87 -8.711 -2.385 -9.039 1.00 0.00 C ATOM 1433 O PHE A 87 -9.124 -3.428 -9.544 1.00 0.00 O ATOM 1434 CB PHE A 87 -6.541 -1.277 -9.561 1.00 0.00 C ATOM 1435 CG PHE A 87 -5.934 -2.648 -9.252 1.00 0.00 C ATOM 1436 CD1 PHE A 87 -5.515 -3.450 -10.268 1.00 0.00 C ATOM 1437 CD2 PHE A 87 -5.813 -3.064 -7.963 1.00 0.00 C ATOM 1438 CE1 PHE A 87 -4.953 -4.722 -9.982 1.00 0.00 C ATOM 1439 CE2 PHE A 87 -5.249 -4.335 -7.677 1.00 0.00 C ATOM 1440 CZ PHE A 87 -4.831 -5.137 -8.693 1.00 0.00 C ATOM 0 H PHE A 87 -8.180 0.451 -8.793 1.00 0.00 H new ATOM 0 HA PHE A 87 -8.203 -1.576 -10.949 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -6.000 -0.831 -10.396 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.395 -0.624 -8.701 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -5.610 -3.119 -11.292 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.146 -2.427 -7.157 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -4.622 -5.360 -10.788 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -5.152 -4.665 -6.653 1.00 0.00 H new ATOM 0 HZ PHE A 87 -4.402 -6.104 -8.476 1.00 0.00 H new ATOM 1450 N HIS A 88 -8.806 -2.085 -7.752 1.00 0.00 N ATOM 1451 CA HIS A 88 -9.427 -3.004 -6.813 1.00 0.00 C ATOM 1452 C HIS A 88 -10.843 -3.337 -7.284 1.00 0.00 C ATOM 1453 O HIS A 88 -11.246 -4.500 -7.277 1.00 0.00 O ATOM 1454 CB HIS A 88 -9.393 -2.435 -5.393 1.00 0.00 C ATOM 1455 CG HIS A 88 -10.061 -3.315 -4.363 1.00 0.00 C ATOM 1456 ND1 HIS A 88 -9.582 -4.568 -4.023 1.00 0.00 N ATOM 1457 CD2 HIS A 88 -11.174 -3.109 -3.604 1.00 0.00 C ATOM 1458 CE1 HIS A 88 -10.381 -5.084 -3.100 1.00 0.00 C ATOM 1459 NE2 HIS A 88 -11.367 -4.179 -2.842 1.00 0.00 N ATOM 0 H HIS A 88 -8.463 -1.218 -7.337 1.00 0.00 H new ATOM 0 HA HIS A 88 -8.862 -3.936 -6.782 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -8.355 -2.275 -5.101 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -9.878 -1.459 -5.392 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -11.794 -2.225 -3.620 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -10.270 -6.052 -2.634 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -12.128 -4.303 -2.174 1.00 0.00 H new ATOM 1467 N LEU A 89 -11.560 -2.298 -7.684 1.00 0.00 N ATOM 1468 CA LEU A 89 -12.924 -2.465 -8.157 1.00 0.00 C ATOM 1469 C LEU A 89 -13.003 -3.713 -9.039 1.00 0.00 C ATOM 1470 O LEU A 89 -13.627 -4.705 -8.664 1.00 0.00 O ATOM 1471 CB LEU A 89 -13.412 -1.192 -8.848 1.00 0.00 C ATOM 1472 CG LEU A 89 -14.408 -0.339 -8.059 1.00 0.00 C ATOM 1473 CD1 LEU A 89 -13.847 0.028 -6.685 1.00 0.00 C ATOM 1474 CD2 LEU A 89 -14.825 0.897 -8.858 1.00 0.00 C ATOM 0 H LEU A 89 -11.222 -1.336 -7.690 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.602 -2.623 -7.318 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -12.545 -0.576 -9.085 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -13.874 -1.471 -9.795 1.00 0.00 H new ATOM 0 HG LEU A 89 -15.307 -0.931 -7.891 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -14.574 0.634 -6.145 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -13.642 -0.882 -6.121 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.924 0.594 -6.808 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -15.533 1.486 -8.275 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.945 1.502 -9.078 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -15.294 0.586 -9.791 1.00 0.00 H new ATOM 1486 N GLU A 90 -12.361 -3.624 -10.194 1.00 0.00 N ATOM 1487 CA GLU A 90 -12.350 -4.732 -11.133 1.00 0.00 C ATOM 1488 C GLU A 90 -11.353 -5.800 -10.680 1.00 0.00 C ATOM 1489 O GLU A 90 -10.221 -5.485 -10.319 1.00 0.00 O ATOM 1490 CB GLU A 90 -12.031 -4.249 -12.549 1.00 0.00 C ATOM 1491 CG GLU A 90 -10.600 -3.715 -12.637 1.00 0.00 C ATOM 1492 CD GLU A 90 -9.696 -4.694 -13.390 1.00 0.00 C ATOM 1493 OE1 GLU A 90 -9.223 -5.648 -12.735 1.00 0.00 O ATOM 1494 OE2 GLU A 90 -9.497 -4.465 -14.603 1.00 0.00 O ATOM 0 H GLU A 90 -11.844 -2.800 -10.501 1.00 0.00 H new ATOM 0 HA GLU A 90 -13.345 -5.176 -11.153 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -12.161 -5.069 -13.255 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -12.733 -3.467 -12.837 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -10.598 -2.750 -13.143 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -10.207 -3.549 -11.634 1.00 0.00 H new