USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 657 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 78 ASN : amide:sc= 0.248 K(o=1.2,f=-5) USER MOD Set 1.2: A 80 LYS NZ :NH3+ -179:sc= 0.98 (180deg=-0.041) USER MOD Set 2.1: A 5 HIS : no HE2:sc= 1.71 K(o=2.5,f=-6.6!) USER MOD Set 2.2: A 6 SER OG : rot -111:sc= 0.798 USER MOD Single : A 4 LYS NZ :NH3+ 146:sc= -0.186 (180deg=-1.55!) USER MOD Single : A 8 SER OG : rot -39:sc= 0.0562 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -1.93! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 136:sc= -0.0956 (180deg=-0.404) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -170:sc= -0.332 USER MOD Single : A 34 ASN : amide:sc= 0.621 K(o=0.62,f=-6!) USER MOD Single : A 35 LYS NZ :NH3+ -165:sc= -0.0503 (180deg=-0.273) USER MOD Single : A 44 THR OG1 : rot -84:sc= 0.79 USER MOD Single : A 46 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-6.7!) USER MOD Single : A 50 SER OG : rot -140:sc= -0.403 USER MOD Single : A 54 TYR OH : rot 15:sc= 1.03 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -170:sc= 0.737 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0513) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 160:sc= -0.0729 (180deg=-0.489) USER MOD Single : A 85 GLN :FLIP amide:sc= -1.49! C(o=-2.7!,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 2 14.371 11.363 -9.450 1.00 0.00 N ATOM 2 CA GLU A 2 13.078 11.827 -8.993 1.00 0.00 C ATOM 3 C GLU A 2 12.595 10.937 -7.880 1.00 0.00 C ATOM 4 O GLU A 2 12.775 9.715 -7.937 1.00 0.00 O ATOM 5 CB GLU A 2 12.065 11.815 -10.141 1.00 0.00 C ATOM 6 CG GLU A 2 10.723 12.423 -9.781 1.00 0.00 C ATOM 7 CD GLU A 2 10.875 13.850 -9.342 1.00 0.00 C ATOM 8 OE1 GLU A 2 11.196 14.087 -8.167 1.00 0.00 O ATOM 9 OE2 GLU A 2 10.718 14.755 -10.177 1.00 0.00 O ATOM 0 HA GLU A 2 13.178 12.850 -8.631 1.00 0.00 H new ATOM 0 HB2 GLU A 2 12.484 12.358 -10.988 1.00 0.00 H new ATOM 0 HB3 GLU A 2 11.911 10.786 -10.467 1.00 0.00 H new ATOM 0 HG2 GLU A 2 10.056 12.373 -10.641 1.00 0.00 H new ATOM 0 HG3 GLU A 2 10.259 11.842 -8.984 1.00 0.00 H new ATOM 16 N LEU A 3 11.997 11.539 -6.890 1.00 0.00 N ATOM 17 CA LEU A 3 11.421 10.840 -5.777 1.00 0.00 C ATOM 18 C LEU A 3 10.201 11.553 -5.287 1.00 0.00 C ATOM 19 O LEU A 3 10.155 12.786 -5.253 1.00 0.00 O ATOM 20 CB LEU A 3 12.402 10.635 -4.604 1.00 0.00 C ATOM 21 CG LEU A 3 13.398 9.477 -4.718 1.00 0.00 C ATOM 22 CD1 LEU A 3 14.314 9.452 -3.507 1.00 0.00 C ATOM 23 CD2 LEU A 3 12.656 8.148 -4.835 1.00 0.00 C ATOM 0 H LEU A 3 11.895 12.552 -6.834 1.00 0.00 H new ATOM 0 HA LEU A 3 11.157 9.850 -6.149 1.00 0.00 H new ATOM 0 HB2 LEU A 3 12.969 11.557 -4.473 1.00 0.00 H new ATOM 0 HB3 LEU A 3 11.817 10.489 -3.696 1.00 0.00 H new ATOM 0 HG LEU A 3 13.999 9.625 -5.615 1.00 0.00 H new ATOM 0 HD11 LEU A 3 15.017 8.624 -3.600 1.00 0.00 H new ATOM 0 HD12 LEU A 3 14.864 10.391 -3.448 1.00 0.00 H new ATOM 0 HD13 LEU A 3 13.719 9.323 -2.603 1.00 0.00 H new ATOM 0 HD21 LEU A 3 13.377 7.335 -4.915 1.00 0.00 H new ATOM 0 HD22 LEU A 3 12.037 7.998 -3.951 1.00 0.00 H new ATOM 0 HD23 LEU A 3 12.024 8.161 -5.723 1.00 0.00 H new ATOM 35 N LYS A 4 9.205 10.778 -4.980 1.00 0.00 N ATOM 36 CA LYS A 4 7.990 11.245 -4.339 1.00 0.00 C ATOM 37 C LYS A 4 8.285 11.906 -2.995 1.00 0.00 C ATOM 38 O LYS A 4 9.213 11.516 -2.296 1.00 0.00 O ATOM 39 CB LYS A 4 6.980 10.081 -4.164 1.00 0.00 C ATOM 40 CG LYS A 4 7.609 8.675 -4.034 1.00 0.00 C ATOM 41 CD LYS A 4 8.524 8.468 -2.834 1.00 0.00 C ATOM 42 CE LYS A 4 7.817 8.485 -1.488 1.00 0.00 C ATOM 43 NZ LYS A 4 8.754 8.117 -0.402 1.00 0.00 N ATOM 0 H LYS A 4 9.204 9.776 -5.169 1.00 0.00 H new ATOM 0 HA LYS A 4 7.543 11.998 -4.988 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.377 10.275 -3.277 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.301 10.080 -5.017 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.805 7.941 -3.985 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.177 8.466 -4.941 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.039 7.514 -2.947 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.288 9.245 -2.838 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.405 9.477 -1.300 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.978 7.789 -1.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.510 8.644 0.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.685 7.096 -0.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.726 8.352 -0.688 1.00 0.00 H new ATOM 57 N HIS A 5 7.507 12.895 -2.648 1.00 0.00 N ATOM 58 CA HIS A 5 7.694 13.600 -1.376 1.00 0.00 C ATOM 59 C HIS A 5 6.882 12.925 -0.252 1.00 0.00 C ATOM 60 O HIS A 5 7.278 12.938 0.919 1.00 0.00 O ATOM 61 CB HIS A 5 7.301 15.103 -1.505 1.00 0.00 C ATOM 62 CG HIS A 5 5.827 15.344 -1.715 1.00 0.00 C ATOM 63 ND1 HIS A 5 5.138 14.953 -2.834 1.00 0.00 N ATOM 64 CD2 HIS A 5 4.905 15.857 -0.875 1.00 0.00 C ATOM 65 CE1 HIS A 5 3.862 15.206 -2.654 1.00 0.00 C ATOM 66 NE2 HIS A 5 3.648 15.766 -1.472 1.00 0.00 N ATOM 0 H HIS A 5 6.734 13.242 -3.216 1.00 0.00 H new ATOM 0 HA HIS A 5 8.752 13.547 -1.118 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.618 15.628 -0.604 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.851 15.540 -2.339 1.00 0.00 H new ATOM 0 HD1 HIS A 5 5.549 14.535 -3.669 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.107 16.271 0.102 1.00 0.00 H new ATOM 0 HE1 HIS A 5 3.088 14.986 -3.375 1.00 0.00 H new ATOM 74 N SER A 6 5.763 12.327 -0.617 1.00 0.00 N ATOM 75 CA SER A 6 4.865 11.717 0.341 1.00 0.00 C ATOM 76 C SER A 6 4.120 10.587 -0.336 1.00 0.00 C ATOM 77 O SER A 6 4.420 10.249 -1.487 1.00 0.00 O ATOM 78 CB SER A 6 3.849 12.767 0.811 1.00 0.00 C ATOM 79 OG SER A 6 3.030 13.198 -0.274 1.00 0.00 O ATOM 0 H SER A 6 5.453 12.251 -1.586 1.00 0.00 H new ATOM 0 HA SER A 6 5.431 11.337 1.192 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.225 12.348 1.600 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.373 13.621 1.239 1.00 0.00 H new ATOM 0 HG SER A 6 3.242 14.129 -0.494 1.00 0.00 H new ATOM 85 N ILE A 7 3.181 9.990 0.372 1.00 0.00 N ATOM 86 CA ILE A 7 2.295 9.003 -0.211 1.00 0.00 C ATOM 87 C ILE A 7 1.271 9.683 -1.153 1.00 0.00 C ATOM 88 O ILE A 7 0.828 9.097 -2.124 1.00 0.00 O ATOM 89 CB ILE A 7 1.543 8.193 0.873 1.00 0.00 C ATOM 90 CG1 ILE A 7 0.697 7.095 0.218 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.679 9.111 1.731 1.00 0.00 C ATOM 92 CD1 ILE A 7 -0.016 6.213 1.194 1.00 0.00 C ATOM 0 H ILE A 7 3.012 10.174 1.361 1.00 0.00 H new ATOM 0 HA ILE A 7 2.914 8.312 -0.783 1.00 0.00 H new ATOM 0 HB ILE A 7 2.275 7.720 1.527 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.037 7.560 -0.440 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.342 6.479 -0.409 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.160 8.521 2.486 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.311 9.852 2.221 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.052 9.617 1.100 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.592 5.463 0.653 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.712 5.718 1.836 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.688 6.815 1.805 1.00 0.00 H new ATOM 104 N SER A 8 0.958 10.954 -0.875 1.00 0.00 N ATOM 105 CA SER A 8 -0.049 11.702 -1.621 1.00 0.00 C ATOM 106 C SER A 8 0.512 12.112 -2.989 1.00 0.00 C ATOM 107 O SER A 8 -0.193 12.656 -3.851 1.00 0.00 O ATOM 108 CB SER A 8 -0.485 12.933 -0.796 1.00 0.00 C ATOM 109 OG SER A 8 -1.600 13.600 -1.372 1.00 0.00 O ATOM 0 H SER A 8 1.398 11.489 -0.126 1.00 0.00 H new ATOM 0 HA SER A 8 -0.925 11.077 -1.795 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.736 12.619 0.217 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.350 13.629 -0.716 1.00 0.00 H new ATOM 0 HG SER A 8 -1.508 13.609 -2.348 1.00 0.00 H new ATOM 115 N ASP A 9 1.791 11.856 -3.156 1.00 0.00 N ATOM 116 CA ASP A 9 2.488 12.072 -4.405 1.00 0.00 C ATOM 117 C ASP A 9 2.029 10.988 -5.383 1.00 0.00 C ATOM 118 O ASP A 9 1.835 11.234 -6.580 1.00 0.00 O ATOM 119 CB ASP A 9 3.980 11.924 -4.151 1.00 0.00 C ATOM 120 CG ASP A 9 4.862 12.506 -5.225 1.00 0.00 C ATOM 121 OD1 ASP A 9 4.797 12.088 -6.377 1.00 0.00 O ATOM 122 OD2 ASP A 9 5.695 13.362 -4.887 1.00 0.00 O ATOM 0 H ASP A 9 2.386 11.486 -2.415 1.00 0.00 H new ATOM 0 HA ASP A 9 2.281 13.062 -4.811 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.222 12.402 -3.202 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.213 10.865 -4.043 1.00 0.00 H new ATOM 127 N TYR A 10 1.813 9.794 -4.833 1.00 0.00 N ATOM 128 CA TYR A 10 1.344 8.644 -5.583 1.00 0.00 C ATOM 129 C TYR A 10 -0.124 8.790 -5.852 1.00 0.00 C ATOM 130 O TYR A 10 -0.865 9.321 -5.020 1.00 0.00 O ATOM 131 CB TYR A 10 1.499 7.342 -4.775 1.00 0.00 C ATOM 132 CG TYR A 10 2.891 6.802 -4.570 1.00 0.00 C ATOM 133 CD1 TYR A 10 3.769 7.375 -3.665 1.00 0.00 C ATOM 134 CD2 TYR A 10 3.311 5.673 -5.263 1.00 0.00 C ATOM 135 CE1 TYR A 10 5.007 6.850 -3.467 1.00 0.00 C ATOM 136 CE2 TYR A 10 4.561 5.137 -5.062 1.00 0.00 C ATOM 137 CZ TYR A 10 5.409 5.727 -4.162 1.00 0.00 C ATOM 138 OH TYR A 10 6.673 5.204 -3.954 1.00 0.00 O ATOM 0 H TYR A 10 1.962 9.602 -3.842 1.00 0.00 H new ATOM 0 HA TYR A 10 1.933 8.597 -6.499 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.054 7.503 -3.793 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.910 6.569 -5.269 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.466 8.250 -3.109 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.643 5.208 -5.973 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.680 7.314 -2.762 1.00 0.00 H new ATOM 0 HE2 TYR A 10 4.872 4.259 -5.609 1.00 0.00 H new ATOM 0 HH TYR A 10 6.797 4.414 -4.520 1.00 0.00 H new ATOM 148 N THR A 11 -0.557 8.328 -6.976 1.00 0.00 N ATOM 149 CA THR A 11 -1.950 8.280 -7.240 1.00 0.00 C ATOM 150 C THR A 11 -2.450 6.958 -6.719 1.00 0.00 C ATOM 151 O THR A 11 -1.637 6.096 -6.303 1.00 0.00 O ATOM 152 CB THR A 11 -2.250 8.394 -8.746 1.00 0.00 C ATOM 153 OG1 THR A 11 -1.599 7.336 -9.454 1.00 0.00 O ATOM 154 CG2 THR A 11 -1.787 9.726 -9.298 1.00 0.00 C ATOM 0 H THR A 11 0.038 7.978 -7.727 1.00 0.00 H new ATOM 0 HA THR A 11 -2.446 9.120 -6.753 1.00 0.00 H new ATOM 0 HB THR A 11 -3.329 8.320 -8.880 1.00 0.00 H new ATOM 0 HG1 THR A 11 -1.795 7.413 -10.411 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.013 9.777 -10.363 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.303 10.534 -8.779 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.712 9.827 -9.150 1.00 0.00 H new ATOM 162 N GLU A 12 -3.737 6.777 -6.755 1.00 0.00 N ATOM 163 CA GLU A 12 -4.366 5.568 -6.300 1.00 0.00 C ATOM 164 C GLU A 12 -3.813 4.382 -7.096 1.00 0.00 C ATOM 165 O GLU A 12 -3.440 3.364 -6.538 1.00 0.00 O ATOM 166 CB GLU A 12 -5.851 5.722 -6.532 1.00 0.00 C ATOM 167 CG GLU A 12 -6.727 4.653 -5.955 1.00 0.00 C ATOM 168 CD GLU A 12 -8.159 4.934 -6.282 1.00 0.00 C ATOM 169 OE1 GLU A 12 -8.663 6.012 -5.908 1.00 0.00 O ATOM 170 OE2 GLU A 12 -8.809 4.104 -6.925 1.00 0.00 O ATOM 0 H GLU A 12 -4.392 7.475 -7.107 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.170 5.387 -5.243 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.164 6.681 -6.119 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.027 5.765 -7.607 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.438 3.680 -6.353 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.594 4.607 -4.874 1.00 0.00 H new ATOM 177 N ALA A 13 -3.685 4.589 -8.385 1.00 0.00 N ATOM 178 CA ALA A 13 -3.209 3.580 -9.303 1.00 0.00 C ATOM 179 C ALA A 13 -1.710 3.283 -9.131 1.00 0.00 C ATOM 180 O ALA A 13 -1.308 2.120 -9.175 1.00 0.00 O ATOM 181 CB ALA A 13 -3.525 3.983 -10.724 1.00 0.00 C ATOM 0 H ALA A 13 -3.912 5.477 -8.833 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.733 2.653 -9.071 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.162 3.216 -11.409 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.603 4.093 -10.840 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.038 4.931 -10.950 1.00 0.00 H new ATOM 187 N GLU A 14 -0.887 4.324 -8.914 1.00 0.00 N ATOM 188 CA GLU A 14 0.573 4.127 -8.710 1.00 0.00 C ATOM 189 C GLU A 14 0.823 3.370 -7.440 1.00 0.00 C ATOM 190 O GLU A 14 1.722 2.531 -7.364 1.00 0.00 O ATOM 191 CB GLU A 14 1.338 5.453 -8.637 1.00 0.00 C ATOM 192 CG GLU A 14 1.264 6.320 -9.870 1.00 0.00 C ATOM 193 CD GLU A 14 1.840 5.675 -11.097 1.00 0.00 C ATOM 194 OE1 GLU A 14 3.077 5.670 -11.260 1.00 0.00 O ATOM 195 OE2 GLU A 14 1.073 5.198 -11.944 1.00 0.00 O ATOM 0 H GLU A 14 -1.193 5.296 -8.874 1.00 0.00 H new ATOM 0 HA GLU A 14 0.933 3.566 -9.572 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.958 6.024 -7.790 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.386 5.236 -8.430 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.222 6.577 -10.061 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.793 7.254 -9.679 1.00 0.00 H new ATOM 202 N PHE A 15 0.028 3.654 -6.448 1.00 0.00 N ATOM 203 CA PHE A 15 0.161 2.989 -5.192 1.00 0.00 C ATOM 204 C PHE A 15 -0.411 1.607 -5.298 1.00 0.00 C ATOM 205 O PHE A 15 0.052 0.713 -4.680 1.00 0.00 O ATOM 206 CB PHE A 15 -0.469 3.774 -4.069 1.00 0.00 C ATOM 207 CG PHE A 15 -0.013 3.319 -2.721 1.00 0.00 C ATOM 208 CD1 PHE A 15 -0.691 2.330 -2.036 1.00 0.00 C ATOM 209 CD2 PHE A 15 1.098 3.897 -2.135 1.00 0.00 C ATOM 210 CE1 PHE A 15 -0.269 1.931 -0.796 1.00 0.00 C ATOM 211 CE2 PHE A 15 1.526 3.493 -0.895 1.00 0.00 C ATOM 212 CZ PHE A 15 0.840 2.508 -0.228 1.00 0.00 C ATOM 0 H PHE A 15 -0.721 4.345 -6.489 1.00 0.00 H new ATOM 0 HA PHE A 15 1.220 2.912 -4.947 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.230 4.831 -4.191 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.553 3.683 -4.131 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -1.560 1.868 -2.481 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.635 4.674 -2.658 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.809 1.162 -0.264 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.397 3.947 -0.447 1.00 0.00 H new ATOM 0 HZ PHE A 15 1.174 2.186 0.747 1.00 0.00 H new ATOM 222 N LEU A 16 -1.409 1.436 -6.093 1.00 0.00 N ATOM 223 CA LEU A 16 -1.956 0.112 -6.314 1.00 0.00 C ATOM 224 C LEU A 16 -0.943 -0.749 -7.055 1.00 0.00 C ATOM 225 O LEU A 16 -0.952 -1.967 -6.984 1.00 0.00 O ATOM 226 CB LEU A 16 -3.313 0.233 -7.000 1.00 0.00 C ATOM 227 CG LEU A 16 -4.135 -1.009 -7.152 1.00 0.00 C ATOM 228 CD1 LEU A 16 -5.599 -0.650 -7.116 1.00 0.00 C ATOM 229 CD2 LEU A 16 -3.845 -1.684 -8.444 1.00 0.00 C ATOM 0 H LEU A 16 -1.873 2.185 -6.607 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.140 -0.402 -5.371 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.905 0.960 -6.444 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.149 0.649 -7.994 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.885 -1.684 -6.333 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.198 -1.554 -7.227 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.833 -0.173 -6.164 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.825 0.037 -7.931 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.455 -2.583 -8.530 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.077 -1.009 -9.267 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.790 -1.956 -8.484 1.00 0.00 H new ATOM 241 N GLU A 17 -0.075 -0.102 -7.730 1.00 0.00 N ATOM 242 CA GLU A 17 1.058 -0.740 -8.304 1.00 0.00 C ATOM 243 C GLU A 17 2.138 -1.061 -7.259 1.00 0.00 C ATOM 244 O GLU A 17 2.959 -1.899 -7.510 1.00 0.00 O ATOM 245 CB GLU A 17 1.606 -0.012 -9.526 1.00 0.00 C ATOM 246 CG GLU A 17 0.661 -0.091 -10.718 1.00 0.00 C ATOM 247 CD GLU A 17 1.223 0.508 -11.972 1.00 0.00 C ATOM 248 OE1 GLU A 17 2.281 0.046 -12.440 1.00 0.00 O ATOM 249 OE2 GLU A 17 0.633 1.455 -12.519 1.00 0.00 O ATOM 0 H GLU A 17 -0.126 0.901 -7.906 1.00 0.00 H new ATOM 0 HA GLU A 17 0.704 -1.699 -8.681 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.783 1.034 -9.274 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.570 -0.441 -9.800 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.412 -1.136 -10.905 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.269 0.419 -10.467 1.00 0.00 H new ATOM 256 N PHE A 18 2.113 -0.383 -6.073 1.00 0.00 N ATOM 257 CA PHE A 18 3.094 -0.665 -4.954 1.00 0.00 C ATOM 258 C PHE A 18 3.050 -2.130 -4.638 1.00 0.00 C ATOM 259 O PHE A 18 4.057 -2.817 -4.605 1.00 0.00 O ATOM 260 CB PHE A 18 2.787 0.160 -3.597 1.00 0.00 C ATOM 261 CG PHE A 18 2.072 -0.600 -2.383 1.00 0.00 C ATOM 262 CD1 PHE A 18 0.682 -0.768 -2.319 1.00 0.00 C ATOM 263 CD2 PHE A 18 2.814 -1.134 -1.326 1.00 0.00 C ATOM 264 CE1 PHE A 18 0.072 -1.434 -1.249 1.00 0.00 C ATOM 265 CE2 PHE A 18 2.197 -1.792 -0.268 1.00 0.00 C ATOM 266 CZ PHE A 18 0.835 -1.940 -0.234 1.00 0.00 C ATOM 0 H PHE A 18 1.440 0.353 -5.859 1.00 0.00 H new ATOM 0 HA PHE A 18 4.075 -0.347 -5.306 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.734 0.555 -3.229 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.167 1.016 -3.863 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.066 -0.374 -3.114 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.889 -1.033 -1.331 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.002 -1.548 -1.226 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.798 -2.191 0.536 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.366 -2.455 0.592 1.00 0.00 H new ATOM 276 N VAL A 19 1.855 -2.591 -4.475 1.00 0.00 N ATOM 277 CA VAL A 19 1.590 -3.924 -4.044 1.00 0.00 C ATOM 278 C VAL A 19 1.892 -4.927 -5.142 1.00 0.00 C ATOM 279 O VAL A 19 2.447 -5.995 -4.891 1.00 0.00 O ATOM 280 CB VAL A 19 0.140 -4.043 -3.494 1.00 0.00 C ATOM 281 CG1 VAL A 19 -0.887 -3.640 -4.511 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.134 -5.404 -2.901 1.00 0.00 C ATOM 0 H VAL A 19 1.014 -2.038 -4.642 1.00 0.00 H new ATOM 0 HA VAL A 19 2.261 -4.166 -3.220 1.00 0.00 H new ATOM 0 HB VAL A 19 0.055 -3.329 -2.675 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.884 -3.740 -4.081 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.721 -2.604 -4.805 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.804 -4.283 -5.387 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.158 -5.440 -2.530 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.002 -6.168 -3.666 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.557 -5.588 -2.078 1.00 0.00 H new ATOM 292 N LYS A 20 1.572 -4.553 -6.352 1.00 0.00 N ATOM 293 CA LYS A 20 1.864 -5.362 -7.506 1.00 0.00 C ATOM 294 C LYS A 20 3.382 -5.472 -7.694 1.00 0.00 C ATOM 295 O LYS A 20 3.919 -6.532 -8.001 1.00 0.00 O ATOM 296 CB LYS A 20 1.219 -4.731 -8.711 1.00 0.00 C ATOM 297 CG LYS A 20 -0.257 -4.972 -8.727 1.00 0.00 C ATOM 298 CD LYS A 20 -0.993 -3.932 -9.510 1.00 0.00 C ATOM 299 CE LYS A 20 -2.409 -4.370 -9.784 1.00 0.00 C ATOM 300 NZ LYS A 20 -2.509 -5.257 -10.959 1.00 0.00 N ATOM 0 H LYS A 20 1.099 -3.675 -6.566 1.00 0.00 H new ATOM 0 HA LYS A 20 1.467 -6.368 -7.372 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.414 -3.659 -8.711 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.666 -5.136 -9.619 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.458 -5.955 -9.154 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.632 -4.986 -7.704 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.999 -2.992 -8.959 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.476 -3.746 -10.452 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.802 -4.887 -8.908 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.034 -3.491 -9.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.502 -5.530 -11.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.160 -4.757 -11.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.936 -6.110 -10.800 1.00 0.00 H new ATOM 314 N LYS A 21 4.054 -4.357 -7.448 1.00 0.00 N ATOM 315 CA LYS A 21 5.493 -4.229 -7.536 1.00 0.00 C ATOM 316 C LYS A 21 6.151 -5.127 -6.505 1.00 0.00 C ATOM 317 O LYS A 21 7.102 -5.829 -6.808 1.00 0.00 O ATOM 318 CB LYS A 21 5.876 -2.765 -7.308 1.00 0.00 C ATOM 319 CG LYS A 21 7.311 -2.409 -7.594 1.00 0.00 C ATOM 320 CD LYS A 21 7.479 -0.904 -7.507 1.00 0.00 C ATOM 321 CE LYS A 21 8.843 -0.451 -7.972 1.00 0.00 C ATOM 322 NZ LYS A 21 9.123 -0.853 -9.371 1.00 0.00 N ATOM 0 H LYS A 21 3.593 -3.490 -7.173 1.00 0.00 H new ATOM 0 HA LYS A 21 5.838 -4.536 -8.524 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.236 -2.141 -7.931 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.658 -2.510 -6.271 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.970 -2.902 -6.879 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.595 -2.762 -8.585 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.712 -0.420 -8.112 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.323 -0.582 -6.477 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.911 0.634 -7.887 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.606 -0.871 -7.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.552 -0.055 -9.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.778 -1.660 -9.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.235 -1.126 -9.838 1.00 0.00 H new ATOM 336 N ILE A 22 5.620 -5.117 -5.296 1.00 0.00 N ATOM 337 CA ILE A 22 6.107 -5.993 -4.239 1.00 0.00 C ATOM 338 C ILE A 22 5.893 -7.443 -4.652 1.00 0.00 C ATOM 339 O ILE A 22 6.798 -8.272 -4.551 1.00 0.00 O ATOM 340 CB ILE A 22 5.372 -5.737 -2.891 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.583 -4.289 -2.444 1.00 0.00 C ATOM 342 CG2 ILE A 22 5.861 -6.707 -1.810 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.851 -3.916 -1.187 1.00 0.00 C ATOM 0 H ILE A 22 4.848 -4.511 -5.018 1.00 0.00 H new ATOM 0 HA ILE A 22 7.167 -5.784 -4.093 1.00 0.00 H new ATOM 0 HB ILE A 22 4.306 -5.908 -3.042 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.649 -4.120 -2.293 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.265 -3.624 -3.247 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.333 -6.509 -0.877 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.667 -7.732 -2.126 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.932 -6.571 -1.657 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.056 -2.874 -0.942 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.780 -4.050 -1.337 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.185 -4.553 -0.368 1.00 0.00 H new ATOM 355 N CYS A 23 4.705 -7.719 -5.166 1.00 0.00 N ATOM 356 CA CYS A 23 4.310 -9.046 -5.572 1.00 0.00 C ATOM 357 C CYS A 23 5.250 -9.608 -6.660 1.00 0.00 C ATOM 358 O CYS A 23 5.613 -10.784 -6.622 1.00 0.00 O ATOM 359 CB CYS A 23 2.853 -9.044 -6.054 1.00 0.00 C ATOM 360 SG CYS A 23 2.168 -10.680 -6.406 1.00 0.00 S ATOM 0 H CYS A 23 3.983 -7.014 -5.312 1.00 0.00 H new ATOM 0 HA CYS A 23 4.388 -9.701 -4.704 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.235 -8.562 -5.296 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.784 -8.435 -6.956 1.00 0.00 H new ATOM 0 HG CYS A 23 0.936 -10.558 -6.802 1.00 0.00 H new ATOM 366 N ARG A 24 5.660 -8.764 -7.602 1.00 0.00 N ATOM 367 CA ARG A 24 6.540 -9.197 -8.686 1.00 0.00 C ATOM 368 C ARG A 24 8.010 -9.239 -8.270 1.00 0.00 C ATOM 369 O ARG A 24 8.754 -10.125 -8.683 1.00 0.00 O ATOM 370 CB ARG A 24 6.367 -8.324 -9.909 1.00 0.00 C ATOM 371 CG ARG A 24 6.717 -6.893 -9.686 1.00 0.00 C ATOM 372 CD ARG A 24 6.417 -6.084 -10.884 1.00 0.00 C ATOM 373 NE ARG A 24 7.186 -6.517 -12.041 1.00 0.00 N ATOM 374 CZ ARG A 24 6.723 -6.605 -13.286 1.00 0.00 C ATOM 375 NH1 ARG A 24 5.454 -6.284 -13.564 1.00 0.00 N ATOM 376 NH2 ARG A 24 7.527 -7.023 -14.249 1.00 0.00 N ATOM 0 H ARG A 24 5.399 -7.779 -7.638 1.00 0.00 H new ATOM 0 HA ARG A 24 6.244 -10.217 -8.933 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.987 -8.718 -10.715 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.332 -8.386 -10.244 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.159 -6.507 -8.833 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.775 -6.807 -9.440 1.00 0.00 H new ATOM 0 HD2 ARG A 24 5.353 -6.152 -11.110 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.633 -5.036 -10.677 1.00 0.00 H new ATOM 0 HE ARG A 24 8.161 -6.774 -11.885 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.833 -5.969 -12.819 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.108 -6.355 -14.521 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.492 -7.274 -14.035 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.182 -7.094 -15.206 1.00 0.00 H new ATOM 390 N ALA A 25 8.417 -8.315 -7.410 1.00 0.00 N ATOM 391 CA ALA A 25 9.812 -8.201 -6.947 1.00 0.00 C ATOM 392 C ALA A 25 10.069 -9.157 -5.776 1.00 0.00 C ATOM 393 O ALA A 25 11.039 -9.010 -5.033 1.00 0.00 O ATOM 394 CB ALA A 25 10.112 -6.766 -6.531 1.00 0.00 C ATOM 0 H ALA A 25 7.794 -7.616 -7.006 1.00 0.00 H new ATOM 0 HA ALA A 25 10.474 -8.475 -7.769 1.00 0.00 H new ATOM 0 HB1 ALA A 25 11.145 -6.694 -6.191 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.963 -6.102 -7.382 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.443 -6.474 -5.722 1.00 0.00 H new ATOM 400 N GLU A 26 9.222 -10.161 -5.706 1.00 0.00 N ATOM 401 CA GLU A 26 9.076 -11.112 -4.624 1.00 0.00 C ATOM 402 C GLU A 26 10.351 -11.757 -4.088 1.00 0.00 C ATOM 403 O GLU A 26 10.390 -12.116 -2.912 1.00 0.00 O ATOM 404 CB GLU A 26 8.095 -12.218 -5.033 1.00 0.00 C ATOM 405 CG GLU A 26 8.479 -12.988 -6.298 1.00 0.00 C ATOM 406 CD GLU A 26 7.617 -14.215 -6.515 1.00 0.00 C ATOM 407 OE1 GLU A 26 7.861 -15.238 -5.854 1.00 0.00 O ATOM 408 OE2 GLU A 26 6.672 -14.179 -7.339 1.00 0.00 O ATOM 0 H GLU A 26 8.566 -10.349 -6.464 1.00 0.00 H new ATOM 0 HA GLU A 26 8.706 -10.505 -3.798 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.004 -12.925 -4.209 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.111 -11.773 -5.181 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.391 -12.329 -7.162 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.524 -13.289 -6.233 1.00 0.00 H new ATOM 415 N GLY A 27 11.386 -11.904 -4.874 1.00 0.00 N ATOM 416 CA GLY A 27 12.430 -12.705 -4.355 1.00 0.00 C ATOM 417 C GLY A 27 13.830 -12.357 -4.718 1.00 0.00 C ATOM 418 O GLY A 27 14.372 -12.850 -5.700 1.00 0.00 O ATOM 0 H GLY A 27 11.515 -11.508 -5.805 1.00 0.00 H new ATOM 0 HA2 GLY A 27 12.354 -12.688 -3.268 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.250 -13.733 -4.671 1.00 0.00 H new ATOM 422 N ALA A 28 14.411 -11.503 -3.942 1.00 0.00 N ATOM 423 CA ALA A 28 15.853 -11.347 -3.948 1.00 0.00 C ATOM 424 C ALA A 28 16.332 -11.943 -2.636 1.00 0.00 C ATOM 425 O ALA A 28 17.420 -12.490 -2.530 1.00 0.00 O ATOM 426 CB ALA A 28 16.252 -9.895 -4.058 1.00 0.00 C ATOM 0 H ALA A 28 13.919 -10.894 -3.288 1.00 0.00 H new ATOM 0 HA ALA A 28 16.301 -11.846 -4.807 1.00 0.00 H new ATOM 0 HB1 ALA A 28 17.339 -9.816 -4.060 1.00 0.00 H new ATOM 0 HB2 ALA A 28 15.856 -9.478 -4.984 1.00 0.00 H new ATOM 0 HB3 ALA A 28 15.849 -9.342 -3.210 1.00 0.00 H new ATOM 432 N THR A 29 15.443 -11.819 -1.667 1.00 0.00 N ATOM 433 CA THR A 29 15.476 -12.327 -0.317 1.00 0.00 C ATOM 434 C THR A 29 14.109 -11.968 0.220 1.00 0.00 C ATOM 435 O THR A 29 13.418 -11.133 -0.409 1.00 0.00 O ATOM 436 CB THR A 29 16.557 -11.641 0.572 1.00 0.00 C ATOM 437 OG1 THR A 29 16.641 -10.239 0.269 1.00 0.00 O ATOM 438 CG2 THR A 29 17.923 -12.308 0.480 1.00 0.00 C ATOM 0 H THR A 29 14.582 -11.298 -1.833 1.00 0.00 H new ATOM 0 HA THR A 29 15.717 -13.390 -0.307 1.00 0.00 H new ATOM 0 HB THR A 29 16.235 -11.761 1.606 1.00 0.00 H new ATOM 0 HG1 THR A 29 17.424 -9.854 0.715 1.00 0.00 H new ATOM 0 HG21 THR A 29 18.629 -11.782 1.123 1.00 0.00 H new ATOM 0 HG22 THR A 29 17.843 -13.346 0.802 1.00 0.00 H new ATOM 0 HG23 THR A 29 18.276 -12.274 -0.551 1.00 0.00 H new ATOM 446 N GLU A 30 13.691 -12.545 1.318 1.00 0.00 N ATOM 447 CA GLU A 30 12.398 -12.191 1.889 1.00 0.00 C ATOM 448 C GLU A 30 12.461 -10.769 2.459 1.00 0.00 C ATOM 449 O GLU A 30 11.471 -10.034 2.450 1.00 0.00 O ATOM 450 CB GLU A 30 11.924 -13.212 2.953 1.00 0.00 C ATOM 451 CG GLU A 30 12.682 -13.207 4.288 1.00 0.00 C ATOM 452 CD GLU A 30 14.143 -13.542 4.162 1.00 0.00 C ATOM 453 OE1 GLU A 30 14.495 -14.725 4.201 1.00 0.00 O ATOM 454 OE2 GLU A 30 14.967 -12.607 4.027 1.00 0.00 O ATOM 0 H GLU A 30 14.212 -13.253 1.835 1.00 0.00 H new ATOM 0 HA GLU A 30 11.655 -12.221 1.093 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.869 -13.027 3.158 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.995 -14.211 2.523 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.583 -12.223 4.747 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.213 -13.922 4.964 1.00 0.00 H new ATOM 461 N GLU A 31 13.644 -10.387 2.926 1.00 0.00 N ATOM 462 CA GLU A 31 13.881 -9.051 3.418 1.00 0.00 C ATOM 463 C GLU A 31 13.793 -8.015 2.295 1.00 0.00 C ATOM 464 O GLU A 31 13.357 -6.906 2.530 1.00 0.00 O ATOM 465 CB GLU A 31 15.216 -8.940 4.171 1.00 0.00 C ATOM 466 CG GLU A 31 16.417 -9.374 3.364 1.00 0.00 C ATOM 467 CD GLU A 31 17.722 -9.122 4.060 1.00 0.00 C ATOM 468 OE1 GLU A 31 18.158 -9.972 4.855 1.00 0.00 O ATOM 469 OE2 GLU A 31 18.350 -8.068 3.804 1.00 0.00 O ATOM 0 H GLU A 31 14.459 -10.999 2.971 1.00 0.00 H new ATOM 0 HA GLU A 31 13.088 -8.835 4.134 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.358 -7.906 4.487 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.162 -9.545 5.076 1.00 0.00 H new ATOM 0 HG2 GLU A 31 16.331 -10.438 3.141 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.414 -8.847 2.410 1.00 0.00 H new ATOM 476 N ASP A 32 14.176 -8.398 1.065 1.00 0.00 N ATOM 477 CA ASP A 32 14.114 -7.469 -0.090 1.00 0.00 C ATOM 478 C ASP A 32 12.661 -7.151 -0.411 1.00 0.00 C ATOM 479 O ASP A 32 12.318 -6.058 -0.854 1.00 0.00 O ATOM 480 CB ASP A 32 14.817 -8.051 -1.328 1.00 0.00 C ATOM 481 CG ASP A 32 15.005 -7.017 -2.438 1.00 0.00 C ATOM 482 OD1 ASP A 32 15.742 -6.016 -2.228 1.00 0.00 O ATOM 483 OD2 ASP A 32 14.417 -7.178 -3.538 1.00 0.00 O ATOM 0 H ASP A 32 14.528 -9.329 0.841 1.00 0.00 H new ATOM 0 HA ASP A 32 14.639 -6.553 0.183 1.00 0.00 H new ATOM 0 HB2 ASP A 32 15.790 -8.446 -1.036 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.235 -8.889 -1.712 1.00 0.00 H new ATOM 488 N ASP A 33 11.825 -8.118 -0.157 1.00 0.00 N ATOM 489 CA ASP A 33 10.376 -7.992 -0.301 1.00 0.00 C ATOM 490 C ASP A 33 9.845 -7.098 0.817 1.00 0.00 C ATOM 491 O ASP A 33 9.276 -6.024 0.577 1.00 0.00 O ATOM 492 CB ASP A 33 9.769 -9.400 -0.194 1.00 0.00 C ATOM 493 CG ASP A 33 8.253 -9.459 -0.159 1.00 0.00 C ATOM 494 OD1 ASP A 33 7.654 -9.300 0.929 1.00 0.00 O ATOM 495 OD2 ASP A 33 7.651 -9.773 -1.195 1.00 0.00 O ATOM 0 H ASP A 33 12.123 -9.039 0.163 1.00 0.00 H new ATOM 0 HA ASP A 33 10.111 -7.548 -1.261 1.00 0.00 H new ATOM 0 HB2 ASP A 33 10.118 -9.992 -1.040 1.00 0.00 H new ATOM 0 HB3 ASP A 33 10.154 -9.875 0.708 1.00 0.00 H new ATOM 500 N ASN A 34 10.143 -7.519 2.027 1.00 0.00 N ATOM 501 CA ASN A 34 9.720 -6.878 3.276 1.00 0.00 C ATOM 502 C ASN A 34 10.133 -5.401 3.363 1.00 0.00 C ATOM 503 O ASN A 34 9.347 -4.561 3.785 1.00 0.00 O ATOM 504 CB ASN A 34 10.289 -7.698 4.441 1.00 0.00 C ATOM 505 CG ASN A 34 10.117 -7.120 5.826 1.00 0.00 C ATOM 506 OD1 ASN A 34 9.162 -6.444 6.129 1.00 0.00 O ATOM 507 ND2 ASN A 34 11.054 -7.416 6.682 1.00 0.00 N ATOM 0 H ASN A 34 10.710 -8.352 2.186 1.00 0.00 H new ATOM 0 HA ASN A 34 8.631 -6.866 3.318 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.823 -8.683 4.423 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.354 -7.846 4.264 1.00 0.00 H new ATOM 0 HD21 ASN A 34 10.995 -7.075 7.641 1.00 0.00 H new ATOM 0 HD22 ASN A 34 11.847 -7.989 6.393 1.00 0.00 H new ATOM 514 N LYS A 35 11.343 -5.076 2.926 1.00 0.00 N ATOM 515 CA LYS A 35 11.815 -3.694 2.983 1.00 0.00 C ATOM 516 C LYS A 35 10.975 -2.759 2.111 1.00 0.00 C ATOM 517 O LYS A 35 10.861 -1.565 2.418 1.00 0.00 O ATOM 518 CB LYS A 35 13.301 -3.568 2.644 1.00 0.00 C ATOM 519 CG LYS A 35 13.671 -4.042 1.254 1.00 0.00 C ATOM 520 CD LYS A 35 15.164 -3.969 1.021 1.00 0.00 C ATOM 521 CE LYS A 35 15.669 -2.537 0.896 1.00 0.00 C ATOM 522 NZ LYS A 35 15.090 -1.832 -0.279 1.00 0.00 N ATOM 0 H LYS A 35 12.010 -5.740 2.532 1.00 0.00 H new ATOM 0 HA LYS A 35 11.691 -3.380 4.019 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.597 -2.524 2.749 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.877 -4.138 3.374 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.330 -5.068 1.116 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.156 -3.432 0.512 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.681 -4.462 1.844 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.414 -4.519 0.113 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.422 -1.987 1.804 1.00 0.00 H new ATOM 0 HE3 LYS A 35 16.756 -2.544 0.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 15.640 -0.970 -0.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 15.122 -2.457 -1.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.103 -1.575 -0.078 1.00 0.00 H new ATOM 536 N LEU A 36 10.391 -3.277 1.019 1.00 0.00 N ATOM 537 CA LEU A 36 9.499 -2.445 0.219 1.00 0.00 C ATOM 538 C LEU A 36 8.258 -2.213 1.015 1.00 0.00 C ATOM 539 O LEU A 36 7.841 -1.082 1.220 1.00 0.00 O ATOM 540 CB LEU A 36 9.109 -3.079 -1.128 1.00 0.00 C ATOM 541 CG LEU A 36 10.215 -3.308 -2.151 1.00 0.00 C ATOM 542 CD1 LEU A 36 9.615 -3.885 -3.425 1.00 0.00 C ATOM 543 CD2 LEU A 36 10.954 -2.008 -2.452 1.00 0.00 C ATOM 0 H LEU A 36 10.517 -4.232 0.684 1.00 0.00 H new ATOM 0 HA LEU A 36 10.028 -1.521 -0.012 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.639 -4.040 -0.922 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.351 -2.446 -1.590 1.00 0.00 H new ATOM 0 HG LEU A 36 10.936 -4.015 -1.739 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.405 -4.049 -4.157 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.126 -4.833 -3.200 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.883 -3.187 -3.831 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.739 -2.197 -3.185 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.253 -1.275 -2.852 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.399 -1.622 -1.535 1.00 0.00 H new ATOM 555 N VAL A 37 7.723 -3.305 1.521 1.00 0.00 N ATOM 556 CA VAL A 37 6.514 -3.306 2.312 1.00 0.00 C ATOM 557 C VAL A 37 6.598 -2.285 3.446 1.00 0.00 C ATOM 558 O VAL A 37 5.715 -1.446 3.602 1.00 0.00 O ATOM 559 CB VAL A 37 6.251 -4.701 2.927 1.00 0.00 C ATOM 560 CG1 VAL A 37 4.976 -4.668 3.699 1.00 0.00 C ATOM 561 CG2 VAL A 37 6.192 -5.786 1.864 1.00 0.00 C ATOM 0 H VAL A 37 8.125 -4.233 1.390 1.00 0.00 H new ATOM 0 HA VAL A 37 5.696 -3.042 1.641 1.00 0.00 H new ATOM 0 HB VAL A 37 7.081 -4.942 3.591 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.788 -5.650 4.133 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.052 -3.927 4.495 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.155 -4.403 3.034 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.006 -6.750 2.338 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.387 -5.565 1.163 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.141 -5.822 1.328 1.00 0.00 H new ATOM 571 N ARG A 38 7.687 -2.327 4.179 1.00 0.00 N ATOM 572 CA ARG A 38 7.867 -1.465 5.327 1.00 0.00 C ATOM 573 C ARG A 38 7.912 0.017 4.963 1.00 0.00 C ATOM 574 O ARG A 38 7.394 0.840 5.709 1.00 0.00 O ATOM 575 CB ARG A 38 9.096 -1.850 6.153 1.00 0.00 C ATOM 576 CG ARG A 38 9.101 -3.286 6.676 1.00 0.00 C ATOM 577 CD ARG A 38 7.769 -3.652 7.294 1.00 0.00 C ATOM 578 NE ARG A 38 7.794 -4.945 7.978 1.00 0.00 N ATOM 579 CZ ARG A 38 6.955 -5.297 8.961 1.00 0.00 C ATOM 580 NH1 ARG A 38 5.912 -4.532 9.247 1.00 0.00 N ATOM 581 NH2 ARG A 38 7.126 -6.449 9.617 1.00 0.00 N ATOM 0 H ARG A 38 8.470 -2.956 3.999 1.00 0.00 H new ATOM 0 HA ARG A 38 6.981 -1.619 5.943 1.00 0.00 H new ATOM 0 HB2 ARG A 38 9.987 -1.699 5.543 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.172 -1.170 7.002 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.326 -3.972 5.859 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.892 -3.403 7.417 1.00 0.00 H new ATOM 0 HD2 ARG A 38 7.478 -2.877 8.003 1.00 0.00 H new ATOM 0 HD3 ARG A 38 7.007 -3.673 6.515 1.00 0.00 H new ATOM 0 HE ARG A 38 8.497 -5.624 7.687 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.748 -3.675 8.719 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.273 -4.800 9.996 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.899 -7.067 9.370 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.483 -6.711 10.364 1.00 0.00 H new ATOM 595 N GLU A 39 8.496 0.377 3.818 1.00 0.00 N ATOM 596 CA GLU A 39 8.537 1.794 3.471 1.00 0.00 C ATOM 597 C GLU A 39 7.156 2.253 3.060 1.00 0.00 C ATOM 598 O GLU A 39 6.743 3.376 3.358 1.00 0.00 O ATOM 599 CB GLU A 39 9.572 2.145 2.393 1.00 0.00 C ATOM 600 CG GLU A 39 9.248 1.708 0.973 1.00 0.00 C ATOM 601 CD GLU A 39 10.255 2.250 0.005 1.00 0.00 C ATOM 602 OE1 GLU A 39 11.391 1.727 -0.035 1.00 0.00 O ATOM 603 OE2 GLU A 39 9.955 3.257 -0.686 1.00 0.00 O ATOM 0 H GLU A 39 8.927 -0.259 3.146 1.00 0.00 H new ATOM 0 HA GLU A 39 8.861 2.327 4.365 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.712 3.226 2.394 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.525 1.700 2.678 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.233 0.620 0.917 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.251 2.055 0.700 1.00 0.00 H new ATOM 610 N PHE A 40 6.419 1.361 2.427 1.00 0.00 N ATOM 611 CA PHE A 40 5.075 1.653 2.040 1.00 0.00 C ATOM 612 C PHE A 40 4.173 1.724 3.267 1.00 0.00 C ATOM 613 O PHE A 40 3.232 2.522 3.310 1.00 0.00 O ATOM 614 CB PHE A 40 4.565 0.681 0.984 1.00 0.00 C ATOM 615 CG PHE A 40 5.217 0.855 -0.382 1.00 0.00 C ATOM 616 CD1 PHE A 40 4.956 1.978 -1.152 1.00 0.00 C ATOM 617 CD2 PHE A 40 6.056 -0.114 -0.901 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.524 2.128 -2.407 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.630 0.028 -2.148 1.00 0.00 C ATOM 620 CZ PHE A 40 6.363 1.147 -2.905 1.00 0.00 C ATOM 0 H PHE A 40 6.741 0.427 2.174 1.00 0.00 H new ATOM 0 HA PHE A 40 5.057 2.635 1.568 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.736 -0.338 1.330 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.487 0.806 0.880 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.301 2.746 -0.768 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.266 -0.999 -0.319 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.312 3.009 -2.995 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.288 -0.738 -2.530 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.807 1.258 -3.883 1.00 0.00 H new ATOM 630 N GLU A 41 4.472 0.910 4.280 1.00 0.00 N ATOM 631 CA GLU A 41 3.813 1.011 5.567 1.00 0.00 C ATOM 632 C GLU A 41 4.097 2.337 6.241 1.00 0.00 C ATOM 633 O GLU A 41 3.284 2.820 6.973 1.00 0.00 O ATOM 634 CB GLU A 41 4.191 -0.106 6.510 1.00 0.00 C ATOM 635 CG GLU A 41 3.432 -1.389 6.315 1.00 0.00 C ATOM 636 CD GLU A 41 3.687 -2.344 7.440 1.00 0.00 C ATOM 637 OE1 GLU A 41 4.834 -2.451 7.896 1.00 0.00 O ATOM 638 OE2 GLU A 41 2.734 -3.001 7.919 1.00 0.00 O ATOM 0 H GLU A 41 5.173 0.171 4.225 1.00 0.00 H new ATOM 0 HA GLU A 41 2.748 0.932 5.350 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.256 -0.311 6.398 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.039 0.236 7.534 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.365 -1.177 6.249 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.725 -1.848 5.371 1.00 0.00 H new ATOM 645 N ARG A 42 5.254 2.918 5.991 1.00 0.00 N ATOM 646 CA ARG A 42 5.589 4.227 6.572 1.00 0.00 C ATOM 647 C ARG A 42 4.872 5.333 5.818 1.00 0.00 C ATOM 648 O ARG A 42 4.482 6.348 6.392 1.00 0.00 O ATOM 649 CB ARG A 42 7.093 4.461 6.551 1.00 0.00 C ATOM 650 CG ARG A 42 7.873 3.459 7.365 1.00 0.00 C ATOM 651 CD ARG A 42 9.371 3.636 7.183 1.00 0.00 C ATOM 652 NE ARG A 42 10.132 2.675 7.986 1.00 0.00 N ATOM 653 CZ ARG A 42 11.340 2.182 7.677 1.00 0.00 C ATOM 654 NH1 ARG A 42 11.945 2.526 6.543 1.00 0.00 N ATOM 655 NH2 ARG A 42 11.940 1.347 8.511 1.00 0.00 N ATOM 0 H ARG A 42 5.980 2.518 5.396 1.00 0.00 H new ATOM 0 HA ARG A 42 5.259 4.236 7.611 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.443 4.429 5.519 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.301 5.463 6.927 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.618 3.569 8.419 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.587 2.449 7.071 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.627 3.514 6.130 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.654 4.650 7.464 1.00 0.00 H new ATOM 0 HE ARG A 42 9.706 2.353 8.855 1.00 0.00 H new ATOM 0 HH11 ARG A 42 11.490 3.172 5.898 1.00 0.00 H new ATOM 0 HH12 ARG A 42 12.864 2.144 6.319 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.483 1.082 9.384 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.859 0.969 8.281 1.00 0.00 H new ATOM 669 N LEU A 43 4.700 5.129 4.531 1.00 0.00 N ATOM 670 CA LEU A 43 3.959 6.052 3.698 1.00 0.00 C ATOM 671 C LEU A 43 2.494 6.086 4.105 1.00 0.00 C ATOM 672 O LEU A 43 1.874 7.151 4.181 1.00 0.00 O ATOM 673 CB LEU A 43 4.089 5.664 2.222 1.00 0.00 C ATOM 674 CG LEU A 43 5.454 5.886 1.583 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.449 5.394 0.154 1.00 0.00 C ATOM 676 CD2 LEU A 43 5.824 7.360 1.626 1.00 0.00 C ATOM 0 H LEU A 43 5.069 4.320 4.032 1.00 0.00 H new ATOM 0 HA LEU A 43 4.379 7.048 3.836 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.832 4.610 2.122 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.349 6.228 1.654 1.00 0.00 H new ATOM 0 HG LEU A 43 6.197 5.322 2.147 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.430 5.559 -0.291 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.217 4.329 0.137 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.696 5.939 -0.416 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.802 7.503 1.166 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.078 7.938 1.081 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.858 7.697 2.662 1.00 0.00 H new ATOM 688 N THR A 44 1.968 4.946 4.413 1.00 0.00 N ATOM 689 CA THR A 44 0.579 4.816 4.760 1.00 0.00 C ATOM 690 C THR A 44 0.346 5.032 6.230 1.00 0.00 C ATOM 691 O THR A 44 -0.695 5.583 6.641 1.00 0.00 O ATOM 692 CB THR A 44 0.101 3.419 4.368 1.00 0.00 C ATOM 693 OG1 THR A 44 1.004 2.438 4.895 1.00 0.00 O ATOM 694 CG2 THR A 44 0.083 3.309 2.888 1.00 0.00 C ATOM 0 H THR A 44 2.488 4.069 4.433 1.00 0.00 H new ATOM 0 HA THR A 44 0.019 5.580 4.221 1.00 0.00 H new ATOM 0 HB THR A 44 -0.899 3.251 4.769 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.758 2.324 4.280 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.257 2.314 2.601 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.594 4.057 2.476 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.087 3.475 2.499 1.00 0.00 H new ATOM 702 N GLU A 45 1.347 4.624 7.009 1.00 0.00 N ATOM 703 CA GLU A 45 1.289 4.527 8.454 1.00 0.00 C ATOM 704 C GLU A 45 0.241 3.490 8.783 1.00 0.00 C ATOM 705 O GLU A 45 -0.383 3.494 9.847 1.00 0.00 O ATOM 706 CB GLU A 45 1.021 5.874 9.112 1.00 0.00 C ATOM 707 CG GLU A 45 2.080 6.903 8.788 1.00 0.00 C ATOM 708 CD GLU A 45 1.865 8.198 9.493 1.00 0.00 C ATOM 709 OE1 GLU A 45 2.379 8.371 10.618 1.00 0.00 O ATOM 710 OE2 GLU A 45 1.190 9.083 8.935 1.00 0.00 O ATOM 0 H GLU A 45 2.251 4.343 6.630 1.00 0.00 H new ATOM 0 HA GLU A 45 2.254 4.219 8.857 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.049 6.245 8.788 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.968 5.742 10.193 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.059 6.507 9.057 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.092 7.078 7.712 1.00 0.00 H new ATOM 717 N HIS A 46 0.100 2.546 7.855 1.00 0.00 N ATOM 718 CA HIS A 46 -0.889 1.550 7.958 1.00 0.00 C ATOM 719 C HIS A 46 -0.360 0.367 8.785 1.00 0.00 C ATOM 720 O HIS A 46 0.679 -0.212 8.481 1.00 0.00 O ATOM 721 CB HIS A 46 -1.425 1.110 6.568 1.00 0.00 C ATOM 722 CG HIS A 46 -2.680 0.315 6.685 1.00 0.00 C ATOM 723 ND1 HIS A 46 -2.712 -0.953 7.174 1.00 0.00 N ATOM 724 CD2 HIS A 46 -3.961 0.714 6.596 1.00 0.00 C ATOM 725 CE1 HIS A 46 -3.982 -1.262 7.423 1.00 0.00 C ATOM 726 NE2 HIS A 46 -4.783 -0.293 7.073 1.00 0.00 N ATOM 0 H HIS A 46 0.683 2.476 7.021 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.746 1.971 8.483 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.609 1.991 5.954 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.666 0.518 6.057 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.295 1.667 6.214 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.308 -2.195 7.859 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -5.801 -0.280 7.137 1.00 0.00 H new ATOM 734 N PRO A 47 -1.105 0.005 9.819 1.00 0.00 N ATOM 735 CA PRO A 47 -0.735 -1.024 10.798 1.00 0.00 C ATOM 736 C PRO A 47 -0.645 -2.401 10.233 1.00 0.00 C ATOM 737 O PRO A 47 0.245 -3.171 10.557 1.00 0.00 O ATOM 738 CB PRO A 47 -1.899 -0.983 11.769 1.00 0.00 C ATOM 739 CG PRO A 47 -3.014 -0.338 11.063 1.00 0.00 C ATOM 740 CD PRO A 47 -2.399 0.600 10.132 1.00 0.00 C ATOM 0 HA PRO A 47 0.252 -0.823 11.215 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -2.173 -1.989 12.088 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -1.635 -0.425 12.667 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -3.621 -1.073 10.535 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -3.674 0.178 11.761 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.006 0.725 9.235 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.285 1.587 10.580 1.00 0.00 H new ATOM 748 N ASP A 48 -1.539 -2.689 9.357 1.00 0.00 N ATOM 749 CA ASP A 48 -1.676 -3.997 8.859 1.00 0.00 C ATOM 750 C ASP A 48 -1.151 -3.992 7.465 1.00 0.00 C ATOM 751 O ASP A 48 -1.420 -4.886 6.707 1.00 0.00 O ATOM 752 CB ASP A 48 -3.158 -4.439 8.831 1.00 0.00 C ATOM 753 CG ASP A 48 -3.917 -4.161 10.113 1.00 0.00 C ATOM 754 OD1 ASP A 48 -3.729 -4.879 11.101 1.00 0.00 O ATOM 755 OD2 ASP A 48 -4.716 -3.197 10.150 1.00 0.00 O ATOM 0 H ASP A 48 -2.197 -2.015 8.967 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.132 -4.690 9.501 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.661 -3.931 8.008 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.202 -5.508 8.621 1.00 0.00 H new ATOM 760 N GLY A 49 -0.381 -2.941 7.137 1.00 0.00 N ATOM 761 CA GLY A 49 0.140 -2.756 5.758 1.00 0.00 C ATOM 762 C GLY A 49 0.826 -3.955 5.214 1.00 0.00 C ATOM 763 O GLY A 49 0.599 -4.331 4.073 1.00 0.00 O ATOM 0 H GLY A 49 -0.104 -2.211 7.793 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.687 -2.491 5.099 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.835 -1.916 5.751 1.00 0.00 H new ATOM 767 N SER A 50 1.609 -4.577 6.020 1.00 0.00 N ATOM 768 CA SER A 50 2.289 -5.785 5.591 1.00 0.00 C ATOM 769 C SER A 50 1.291 -6.927 5.481 1.00 0.00 C ATOM 770 O SER A 50 1.250 -7.648 4.481 1.00 0.00 O ATOM 771 CB SER A 50 3.387 -6.170 6.559 1.00 0.00 C ATOM 772 OG SER A 50 4.282 -5.118 6.779 1.00 0.00 O ATOM 0 H SER A 50 1.806 -4.287 6.978 1.00 0.00 H new ATOM 0 HA SER A 50 2.740 -5.590 4.618 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.944 -6.474 7.507 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.929 -7.032 6.169 1.00 0.00 H new ATOM 0 HG SER A 50 5.196 -5.469 6.822 1.00 0.00 H new ATOM 778 N ASP A 51 0.437 -7.023 6.485 1.00 0.00 N ATOM 779 CA ASP A 51 -0.548 -8.097 6.614 1.00 0.00 C ATOM 780 C ASP A 51 -1.484 -8.131 5.438 1.00 0.00 C ATOM 781 O ASP A 51 -1.884 -9.181 5.022 1.00 0.00 O ATOM 782 CB ASP A 51 -1.358 -7.956 7.901 1.00 0.00 C ATOM 783 CG ASP A 51 -0.505 -7.986 9.134 1.00 0.00 C ATOM 784 OD1 ASP A 51 -0.064 -9.073 9.544 1.00 0.00 O ATOM 785 OD2 ASP A 51 -0.266 -6.917 9.739 1.00 0.00 O ATOM 0 H ASP A 51 0.403 -6.348 7.249 1.00 0.00 H new ATOM 0 HA ASP A 51 0.010 -9.033 6.646 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.915 -7.019 7.873 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.091 -8.761 7.953 1.00 0.00 H new ATOM 790 N LEU A 52 -1.794 -6.964 4.897 1.00 0.00 N ATOM 791 CA LEU A 52 -2.677 -6.827 3.731 1.00 0.00 C ATOM 792 C LEU A 52 -2.103 -7.585 2.543 1.00 0.00 C ATOM 793 O LEU A 52 -2.811 -8.278 1.827 1.00 0.00 O ATOM 794 CB LEU A 52 -2.798 -5.345 3.330 1.00 0.00 C ATOM 795 CG LEU A 52 -3.243 -4.360 4.405 1.00 0.00 C ATOM 796 CD1 LEU A 52 -3.309 -2.960 3.836 1.00 0.00 C ATOM 797 CD2 LEU A 52 -4.573 -4.764 5.006 1.00 0.00 C ATOM 0 H LEU A 52 -1.442 -6.074 5.251 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.654 -7.230 4.000 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.829 -5.018 2.954 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.501 -5.277 2.500 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.505 -4.375 5.207 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.628 -2.266 4.614 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.324 -2.669 3.471 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.023 -2.935 3.012 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.862 -4.041 5.769 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.332 -4.790 4.225 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.483 -5.752 5.458 1.00 0.00 H new ATOM 809 N ILE A 53 -0.799 -7.481 2.395 1.00 0.00 N ATOM 810 CA ILE A 53 -0.089 -8.038 1.244 1.00 0.00 C ATOM 811 C ILE A 53 0.096 -9.520 1.433 1.00 0.00 C ATOM 812 O ILE A 53 0.114 -10.309 0.475 1.00 0.00 O ATOM 813 CB ILE A 53 1.305 -7.385 1.141 1.00 0.00 C ATOM 814 CG1 ILE A 53 1.166 -5.871 1.140 1.00 0.00 C ATOM 815 CG2 ILE A 53 2.055 -7.859 -0.119 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.455 -5.167 1.408 1.00 0.00 C ATOM 0 H ILE A 53 -0.193 -7.009 3.066 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.667 -7.845 0.340 1.00 0.00 H new ATOM 0 HB ILE A 53 1.891 -7.691 2.008 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.776 -5.548 0.175 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.435 -5.578 1.894 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.033 -7.380 -0.162 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.182 -8.941 -0.082 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.481 -7.591 -1.006 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.291 -4.090 1.394 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.835 -5.464 2.385 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.181 -5.433 0.640 1.00 0.00 H new ATOM 828 N TYR A 54 0.215 -9.890 2.662 1.00 0.00 N ATOM 829 CA TYR A 54 0.501 -11.236 3.010 1.00 0.00 C ATOM 830 C TYR A 54 -0.754 -12.091 3.182 1.00 0.00 C ATOM 831 O TYR A 54 -0.788 -13.240 2.744 1.00 0.00 O ATOM 832 CB TYR A 54 1.382 -11.274 4.257 1.00 0.00 C ATOM 833 CG TYR A 54 2.773 -10.678 4.061 1.00 0.00 C ATOM 834 CD1 TYR A 54 3.531 -10.976 2.936 1.00 0.00 C ATOM 835 CD2 TYR A 54 3.319 -9.807 4.994 1.00 0.00 C ATOM 836 CE1 TYR A 54 4.782 -10.426 2.752 1.00 0.00 C ATOM 837 CE2 TYR A 54 4.575 -9.255 4.809 1.00 0.00 C ATOM 838 CZ TYR A 54 5.299 -9.569 3.683 1.00 0.00 C ATOM 839 OH TYR A 54 6.563 -9.037 3.500 1.00 0.00 O ATOM 0 H TYR A 54 0.115 -9.261 3.459 1.00 0.00 H new ATOM 0 HA TYR A 54 1.045 -11.680 2.176 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.879 -10.736 5.060 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.485 -12.309 4.583 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.134 -11.651 2.192 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.754 -9.556 5.880 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.355 -10.673 1.870 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.985 -8.580 5.546 1.00 0.00 H new ATOM 0 HH TYR A 54 6.845 -9.175 2.572 1.00 0.00 H new ATOM 849 N TYR A 55 -1.783 -11.542 3.770 1.00 0.00 N ATOM 850 CA TYR A 55 -2.969 -12.298 4.060 1.00 0.00 C ATOM 851 C TYR A 55 -4.200 -11.523 3.634 1.00 0.00 C ATOM 852 O TYR A 55 -4.313 -10.332 3.914 1.00 0.00 O ATOM 853 CB TYR A 55 -3.086 -12.564 5.576 1.00 0.00 C ATOM 854 CG TYR A 55 -1.878 -13.208 6.213 1.00 0.00 C ATOM 855 CD1 TYR A 55 -1.638 -14.563 6.080 1.00 0.00 C ATOM 856 CD2 TYR A 55 -0.977 -12.449 6.949 1.00 0.00 C ATOM 857 CE1 TYR A 55 -0.532 -15.148 6.658 1.00 0.00 C ATOM 858 CE2 TYR A 55 0.128 -13.025 7.527 1.00 0.00 C ATOM 859 CZ TYR A 55 0.346 -14.376 7.379 1.00 0.00 C ATOM 860 OH TYR A 55 1.452 -14.958 7.961 1.00 0.00 O ATOM 0 H TYR A 55 -1.822 -10.565 4.059 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.901 -13.240 3.516 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.281 -11.618 6.080 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.952 -13.202 5.750 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.328 -15.172 5.515 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.148 -11.389 7.069 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.357 -16.208 6.545 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.821 -12.422 8.094 1.00 0.00 H new ATOM 0 HH TYR A 55 1.971 -14.274 8.434 1.00 0.00 H new ATOM 870 N PRO A 56 -5.125 -12.160 2.919 1.00 0.00 N ATOM 871 CA PRO A 56 -6.418 -11.565 2.649 1.00 0.00 C ATOM 872 C PRO A 56 -7.143 -11.381 3.979 1.00 0.00 C ATOM 873 O PRO A 56 -6.940 -12.175 4.927 1.00 0.00 O ATOM 874 CB PRO A 56 -7.138 -12.596 1.775 1.00 0.00 C ATOM 875 CG PRO A 56 -6.374 -13.868 1.938 1.00 0.00 C ATOM 876 CD PRO A 56 -4.971 -13.481 2.300 1.00 0.00 C ATOM 0 HA PRO A 56 -6.365 -10.594 2.158 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -8.175 -12.719 2.088 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -7.156 -12.281 0.732 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.818 -14.490 2.716 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.390 -14.450 1.017 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.523 -14.197 2.989 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.327 -13.439 1.421 1.00 0.00 H new ATOM 884 N ARG A 57 -7.959 -10.366 4.092 1.00 0.00 N ATOM 885 CA ARG A 57 -8.555 -10.111 5.372 1.00 0.00 C ATOM 886 C ARG A 57 -9.840 -10.886 5.568 1.00 0.00 C ATOM 887 O ARG A 57 -9.812 -12.111 5.636 1.00 0.00 O ATOM 888 CB ARG A 57 -8.724 -8.621 5.642 1.00 0.00 C ATOM 889 CG ARG A 57 -7.434 -7.836 5.504 1.00 0.00 C ATOM 890 CD ARG A 57 -7.553 -6.480 6.148 1.00 0.00 C ATOM 891 NE ARG A 57 -7.648 -6.589 7.606 1.00 0.00 N ATOM 892 CZ ARG A 57 -7.786 -5.565 8.449 1.00 0.00 C ATOM 893 NH1 ARG A 57 -7.983 -4.332 7.985 1.00 0.00 N ATOM 894 NH2 ARG A 57 -7.758 -5.786 9.756 1.00 0.00 N ATOM 0 H ARG A 57 -8.218 -9.725 3.342 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.856 -10.480 6.123 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.464 -8.215 4.952 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.119 -8.484 6.649 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.616 -8.390 5.965 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.186 -7.720 4.449 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.688 -5.872 5.882 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.434 -5.968 5.761 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.605 -7.525 8.009 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.029 -4.167 6.980 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.088 -3.553 8.635 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -7.632 -6.734 10.110 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -7.863 -5.008 10.407 1.00 0.00 H new ATOM 908 N ASP A 58 -10.939 -10.209 5.695 1.00 0.00 N ATOM 909 CA ASP A 58 -12.202 -10.901 5.813 1.00 0.00 C ATOM 910 C ASP A 58 -13.171 -10.492 4.729 1.00 0.00 C ATOM 911 O ASP A 58 -13.465 -11.246 3.809 1.00 0.00 O ATOM 912 CB ASP A 58 -12.822 -10.739 7.196 1.00 0.00 C ATOM 913 CG ASP A 58 -14.054 -11.592 7.347 1.00 0.00 C ATOM 914 OD1 ASP A 58 -13.917 -12.802 7.640 1.00 0.00 O ATOM 915 OD2 ASP A 58 -15.175 -11.080 7.170 1.00 0.00 O ATOM 0 H ASP A 58 -10.997 -9.191 5.720 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.986 -11.961 5.679 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.092 -11.012 7.958 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.079 -9.693 7.361 1.00 0.00 H new ATOM 920 N ASP A 59 -13.631 -9.271 4.837 1.00 0.00 N ATOM 921 CA ASP A 59 -14.636 -8.711 3.937 1.00 0.00 C ATOM 922 C ASP A 59 -13.972 -8.190 2.680 1.00 0.00 C ATOM 923 O ASP A 59 -14.576 -8.158 1.590 1.00 0.00 O ATOM 924 CB ASP A 59 -15.376 -7.569 4.654 1.00 0.00 C ATOM 925 CG ASP A 59 -16.435 -6.887 3.809 1.00 0.00 C ATOM 926 OD1 ASP A 59 -16.123 -5.911 3.117 1.00 0.00 O ATOM 927 OD2 ASP A 59 -17.608 -7.299 3.857 1.00 0.00 O ATOM 0 H ASP A 59 -13.321 -8.621 5.559 1.00 0.00 H new ATOM 0 HA ASP A 59 -15.349 -9.487 3.659 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.845 -7.964 5.555 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.648 -6.824 4.975 1.00 0.00 H new ATOM 932 N ARG A 60 -12.717 -7.836 2.827 1.00 0.00 N ATOM 933 CA ARG A 60 -11.946 -7.266 1.793 1.00 0.00 C ATOM 934 C ARG A 60 -11.571 -8.286 0.744 1.00 0.00 C ATOM 935 O ARG A 60 -11.236 -9.436 1.052 1.00 0.00 O ATOM 936 CB ARG A 60 -10.715 -6.657 2.407 1.00 0.00 C ATOM 937 CG ARG A 60 -9.783 -5.966 1.456 1.00 0.00 C ATOM 938 CD ARG A 60 -10.472 -4.812 0.712 1.00 0.00 C ATOM 939 NE ARG A 60 -11.283 -3.990 1.608 1.00 0.00 N ATOM 940 CZ ARG A 60 -12.562 -3.655 1.395 1.00 0.00 C ATOM 941 NH1 ARG A 60 -13.131 -3.859 0.212 1.00 0.00 N ATOM 942 NH2 ARG A 60 -13.257 -3.082 2.349 1.00 0.00 N ATOM 0 H ARG A 60 -12.206 -7.948 3.703 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.535 -6.501 1.287 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -11.028 -5.939 3.165 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -10.162 -7.443 2.921 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -8.924 -5.581 2.006 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.402 -6.687 0.733 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.718 -4.189 0.232 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.103 -5.216 -0.080 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.841 -3.645 2.460 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -12.593 -4.276 -0.548 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -14.106 -3.599 0.063 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -12.823 -2.892 3.252 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -14.231 -2.827 2.187 1.00 0.00 H new ATOM 956 N GLU A 61 -11.651 -7.838 -0.469 1.00 0.00 N ATOM 957 CA GLU A 61 -11.315 -8.597 -1.643 1.00 0.00 C ATOM 958 C GLU A 61 -9.844 -8.934 -1.640 1.00 0.00 C ATOM 959 O GLU A 61 -8.994 -8.076 -1.339 1.00 0.00 O ATOM 960 CB GLU A 61 -11.639 -7.761 -2.881 1.00 0.00 C ATOM 961 CG GLU A 61 -11.480 -8.486 -4.212 1.00 0.00 C ATOM 962 CD GLU A 61 -12.321 -9.739 -4.295 1.00 0.00 C ATOM 963 OE1 GLU A 61 -13.559 -9.643 -4.196 1.00 0.00 O ATOM 964 OE2 GLU A 61 -11.757 -10.840 -4.460 1.00 0.00 O ATOM 0 H GLU A 61 -11.966 -6.892 -0.683 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.890 -9.523 -1.652 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.666 -7.404 -2.800 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.995 -6.882 -2.885 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.756 -7.813 -5.024 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.431 -8.746 -4.357 1.00 0.00 H new ATOM 971 N ASP A 62 -9.545 -10.157 -1.960 1.00 0.00 N ATOM 972 CA ASP A 62 -8.178 -10.598 -2.062 1.00 0.00 C ATOM 973 C ASP A 62 -7.614 -10.216 -3.418 1.00 0.00 C ATOM 974 O ASP A 62 -7.700 -10.977 -4.371 1.00 0.00 O ATOM 975 CB ASP A 62 -8.062 -12.112 -1.838 1.00 0.00 C ATOM 976 CG ASP A 62 -6.646 -12.629 -2.043 1.00 0.00 C ATOM 977 OD1 ASP A 62 -5.759 -12.330 -1.224 1.00 0.00 O ATOM 978 OD2 ASP A 62 -6.397 -13.344 -3.033 1.00 0.00 O ATOM 0 H ASP A 62 -10.237 -10.880 -2.158 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.599 -10.104 -1.282 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.389 -12.352 -0.826 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.736 -12.629 -2.521 1.00 0.00 H new ATOM 983 N SER A 63 -7.202 -8.993 -3.547 1.00 0.00 N ATOM 984 CA SER A 63 -6.565 -8.547 -4.747 1.00 0.00 C ATOM 985 C SER A 63 -5.577 -7.461 -4.380 1.00 0.00 C ATOM 986 O SER A 63 -5.702 -6.883 -3.288 1.00 0.00 O ATOM 987 CB SER A 63 -7.626 -7.994 -5.700 1.00 0.00 C ATOM 988 OG SER A 63 -8.323 -6.918 -5.088 1.00 0.00 O ATOM 0 H SER A 63 -7.297 -8.278 -2.826 1.00 0.00 H new ATOM 0 HA SER A 63 -6.044 -9.369 -5.238 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.155 -7.654 -6.622 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.327 -8.783 -5.972 1.00 0.00 H new ATOM 0 HG SER A 63 -9.098 -6.676 -5.637 1.00 0.00 H new ATOM 994 N PRO A 64 -4.584 -7.144 -5.255 1.00 0.00 N ATOM 995 CA PRO A 64 -3.699 -5.999 -5.042 1.00 0.00 C ATOM 996 C PRO A 64 -4.532 -4.721 -4.900 1.00 0.00 C ATOM 997 O PRO A 64 -4.179 -3.822 -4.162 1.00 0.00 O ATOM 998 CB PRO A 64 -2.820 -5.977 -6.323 1.00 0.00 C ATOM 999 CG PRO A 64 -2.813 -7.390 -6.763 1.00 0.00 C ATOM 1000 CD PRO A 64 -4.200 -7.906 -6.463 1.00 0.00 C ATOM 0 HA PRO A 64 -3.097 -6.067 -4.136 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.239 -5.321 -7.086 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.813 -5.617 -6.112 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.585 -7.470 -7.826 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -2.055 -7.965 -6.230 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.886 -7.724 -7.290 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.200 -8.980 -6.279 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.687 -4.707 -5.569 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.612 -3.592 -5.505 1.00 0.00 C ATOM 1010 C GLU A 65 -7.208 -3.481 -4.105 1.00 0.00 C ATOM 1011 O GLU A 65 -7.264 -2.398 -3.529 1.00 0.00 O ATOM 1012 CB GLU A 65 -7.752 -3.768 -6.496 1.00 0.00 C ATOM 1013 CG GLU A 65 -7.344 -4.027 -7.929 1.00 0.00 C ATOM 1014 CD GLU A 65 -8.537 -3.997 -8.841 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -9.316 -4.965 -8.853 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -8.735 -2.985 -9.526 1.00 0.00 O ATOM 0 H GLU A 65 -6.000 -5.471 -6.168 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.053 -2.689 -5.752 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.376 -4.596 -6.160 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.372 -2.872 -6.471 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.620 -3.276 -8.246 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.851 -4.996 -8.001 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.645 -4.618 -3.569 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.249 -4.660 -2.251 1.00 0.00 C ATOM 1025 C GLY A 66 -7.277 -4.267 -1.161 1.00 0.00 C ATOM 1026 O GLY A 66 -7.644 -3.580 -0.209 1.00 0.00 O ATOM 0 H GLY A 66 -7.589 -5.524 -4.034 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.109 -3.991 -2.226 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.622 -5.666 -2.057 1.00 0.00 H new ATOM 1030 N ILE A 67 -6.045 -4.694 -1.316 1.00 0.00 N ATOM 1031 CA ILE A 67 -4.955 -4.356 -0.399 1.00 0.00 C ATOM 1032 C ILE A 67 -4.788 -2.836 -0.319 1.00 0.00 C ATOM 1033 O ILE A 67 -4.688 -2.253 0.764 1.00 0.00 O ATOM 1034 CB ILE A 67 -3.645 -5.037 -0.891 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -3.791 -6.564 -0.768 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -2.413 -4.526 -0.139 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -2.680 -7.365 -1.411 1.00 0.00 C ATOM 0 H ILE A 67 -5.757 -5.294 -2.089 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.187 -4.720 0.602 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.489 -4.776 -1.938 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.842 -6.825 0.289 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.739 -6.861 -1.216 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.522 -5.029 -0.516 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.314 -3.451 -0.290 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.524 -4.734 0.925 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.871 -8.429 -1.272 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.639 -7.140 -2.477 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.728 -7.104 -0.948 1.00 0.00 H new ATOM 1049 N VAL A 68 -4.823 -2.212 -1.463 1.00 0.00 N ATOM 1050 CA VAL A 68 -4.699 -0.777 -1.573 1.00 0.00 C ATOM 1051 C VAL A 68 -5.964 -0.092 -1.073 1.00 0.00 C ATOM 1052 O VAL A 68 -5.913 1.014 -0.512 1.00 0.00 O ATOM 1053 CB VAL A 68 -4.404 -0.393 -3.034 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -4.304 1.120 -3.217 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.119 -1.047 -3.431 1.00 0.00 C ATOM 0 H VAL A 68 -4.940 -2.687 -2.358 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.870 -0.441 -0.950 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.225 -0.733 -3.665 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.095 1.347 -4.262 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.246 1.585 -2.926 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.499 1.510 -2.593 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.885 -0.791 -4.464 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.317 -0.698 -2.780 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.217 -2.129 -3.338 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.087 -0.766 -1.223 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.342 -0.202 -0.812 1.00 0.00 C ATOM 1067 C LYS A 69 -8.423 -0.116 0.690 1.00 0.00 C ATOM 1068 O LYS A 69 -8.975 0.839 1.224 1.00 0.00 O ATOM 1069 CB LYS A 69 -9.545 -0.952 -1.344 1.00 0.00 C ATOM 1070 CG LYS A 69 -10.762 -0.085 -1.196 1.00 0.00 C ATOM 1071 CD LYS A 69 -11.985 -0.632 -1.814 1.00 0.00 C ATOM 1072 CE LYS A 69 -13.046 0.443 -1.775 1.00 0.00 C ATOM 1073 NZ LYS A 69 -14.323 -0.016 -2.357 1.00 0.00 N ATOM 0 H LYS A 69 -7.149 -1.701 -1.626 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.373 0.798 -1.244 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.393 -1.214 -2.391 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.679 -1.886 -0.798 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.949 0.078 -0.135 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.553 0.890 -1.636 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.789 -0.938 -2.842 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.320 -1.519 -1.276 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -13.209 0.753 -0.743 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.694 1.319 -2.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -15.022 0.752 -2.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -14.174 -0.288 -3.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -14.673 -0.836 -1.822 1.00 0.00 H new ATOM 1087 N GLU A 70 -7.862 -1.105 1.358 1.00 0.00 N ATOM 1088 CA GLU A 70 -7.779 -1.108 2.804 1.00 0.00 C ATOM 1089 C GLU A 70 -7.099 0.139 3.269 1.00 0.00 C ATOM 1090 O GLU A 70 -7.612 0.854 4.113 1.00 0.00 O ATOM 1091 CB GLU A 70 -6.996 -2.310 3.266 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.777 -3.574 3.260 1.00 0.00 C ATOM 1093 CD GLU A 70 -8.909 -3.512 4.243 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -8.678 -3.708 5.438 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -10.057 -3.261 3.838 1.00 0.00 O ATOM 0 H GLU A 70 -7.452 -1.927 0.914 1.00 0.00 H new ATOM 0 HA GLU A 70 -8.785 -1.151 3.222 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.122 -2.431 2.625 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.628 -2.126 4.275 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -8.169 -3.759 2.260 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.123 -4.411 3.505 1.00 0.00 H new ATOM 1102 N ILE A 71 -5.985 0.416 2.651 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.204 1.585 2.921 1.00 0.00 C ATOM 1104 C ILE A 71 -5.959 2.873 2.609 1.00 0.00 C ATOM 1105 O ILE A 71 -5.949 3.817 3.417 1.00 0.00 O ATOM 1106 CB ILE A 71 -3.890 1.503 2.143 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -3.030 0.478 2.834 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.186 2.855 2.091 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -1.921 -0.065 2.013 1.00 0.00 C ATOM 0 H ILE A 71 -5.587 -0.182 1.927 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.989 1.615 3.989 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.082 1.216 1.109 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.610 0.926 3.735 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.663 -0.349 3.155 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.256 2.760 1.531 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.832 3.583 1.601 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.966 3.190 3.105 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.360 -0.794 2.597 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.328 -0.547 1.125 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.259 0.747 1.713 1.00 0.00 H new ATOM 1121 N LYS A 72 -6.602 2.920 1.452 1.00 0.00 N ATOM 1122 CA LYS A 72 -7.326 4.083 1.048 1.00 0.00 C ATOM 1123 C LYS A 72 -8.482 4.356 1.994 1.00 0.00 C ATOM 1124 O LYS A 72 -8.538 5.405 2.565 1.00 0.00 O ATOM 1125 CB LYS A 72 -7.758 3.998 -0.445 1.00 0.00 C ATOM 1126 CG LYS A 72 -9.138 3.408 -0.773 1.00 0.00 C ATOM 1127 CD LYS A 72 -9.250 3.062 -2.264 1.00 0.00 C ATOM 1128 CE LYS A 72 -9.186 4.297 -3.149 1.00 0.00 C ATOM 1129 NZ LYS A 72 -10.361 5.179 -2.978 1.00 0.00 N ATOM 0 H LYS A 72 -6.628 2.152 0.782 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.661 4.944 1.115 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.720 5.005 -0.859 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.010 3.408 -0.974 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -9.306 2.512 -0.175 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.916 4.122 -0.503 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.446 2.379 -2.538 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.188 2.537 -2.444 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.279 4.857 -2.920 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.116 3.989 -4.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.328 5.941 -3.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.232 4.625 -3.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.350 5.591 -2.023 1.00 0.00 H new ATOM 1143 N GLU A 73 -9.316 3.360 2.230 1.00 0.00 N ATOM 1144 CA GLU A 73 -10.501 3.512 3.055 1.00 0.00 C ATOM 1145 C GLU A 73 -10.184 3.772 4.500 1.00 0.00 C ATOM 1146 O GLU A 73 -10.902 4.512 5.158 1.00 0.00 O ATOM 1147 CB GLU A 73 -11.412 2.312 2.919 1.00 0.00 C ATOM 1148 CG GLU A 73 -12.188 2.290 1.625 1.00 0.00 C ATOM 1149 CD GLU A 73 -13.139 3.449 1.535 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -13.943 3.649 2.463 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -13.131 4.169 0.517 1.00 0.00 O ATOM 0 H GLU A 73 -9.191 2.420 1.854 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.019 4.396 2.684 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.815 1.403 2.991 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.113 2.301 3.754 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.496 2.320 0.784 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.743 1.355 1.548 1.00 0.00 H new ATOM 1158 N TRP A 74 -9.114 3.177 4.981 1.00 0.00 N ATOM 1159 CA TRP A 74 -8.684 3.350 6.351 1.00 0.00 C ATOM 1160 C TRP A 74 -8.310 4.804 6.567 1.00 0.00 C ATOM 1161 O TRP A 74 -8.950 5.510 7.344 1.00 0.00 O ATOM 1162 CB TRP A 74 -7.484 2.445 6.603 1.00 0.00 C ATOM 1163 CG TRP A 74 -7.034 2.301 8.016 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -7.634 1.571 8.988 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -5.853 2.844 8.594 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -6.899 1.615 10.137 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -5.797 2.396 9.928 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -4.839 3.670 8.112 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -4.756 2.737 10.781 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -3.812 4.016 8.947 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -3.770 3.549 10.271 1.00 0.00 C ATOM 0 H TRP A 74 -8.517 2.559 4.432 1.00 0.00 H new ATOM 0 HA TRP A 74 -9.482 3.084 7.044 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -7.721 1.453 6.220 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -6.646 2.822 6.017 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -8.562 1.031 8.870 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -7.134 1.142 11.010 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -4.864 4.031 7.095 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -4.722 2.380 11.800 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.023 4.657 8.583 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -2.943 3.835 10.904 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.351 5.284 5.783 1.00 0.00 N ATOM 1183 CA ARG A 75 -6.859 6.645 5.927 1.00 0.00 C ATOM 1184 C ARG A 75 -7.961 7.644 5.625 1.00 0.00 C ATOM 1185 O ARG A 75 -8.082 8.682 6.296 1.00 0.00 O ATOM 1186 CB ARG A 75 -5.676 6.882 5.016 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.510 5.957 5.289 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.358 6.256 4.372 1.00 0.00 C ATOM 1189 NE ARG A 75 -3.785 6.306 2.967 1.00 0.00 N ATOM 1190 CZ ARG A 75 -3.350 7.198 2.062 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -2.421 8.090 2.387 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -3.864 7.213 0.847 1.00 0.00 N ATOM 0 H ARG A 75 -6.900 4.749 5.041 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.536 6.783 6.959 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.994 6.757 3.981 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.344 7.914 5.126 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.191 6.064 6.326 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.824 4.922 5.158 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.908 7.209 4.650 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.589 5.493 4.492 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.463 5.611 2.655 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.032 8.101 3.330 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.096 8.764 1.694 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.593 6.546 0.593 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.532 7.891 0.161 1.00 0.00 H new ATOM 1206 N ALA A 76 -8.791 7.288 4.652 1.00 0.00 N ATOM 1207 CA ALA A 76 -9.926 8.089 4.225 1.00 0.00 C ATOM 1208 C ALA A 76 -10.955 8.236 5.346 1.00 0.00 C ATOM 1209 O ALA A 76 -11.601 9.271 5.473 1.00 0.00 O ATOM 1210 CB ALA A 76 -10.581 7.455 2.981 1.00 0.00 C ATOM 0 H ALA A 76 -8.690 6.418 4.129 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.562 9.085 3.972 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.431 8.062 2.668 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.853 7.406 2.172 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -10.923 6.449 3.223 1.00 0.00 H new ATOM 1216 N ALA A 77 -11.086 7.213 6.172 1.00 0.00 N ATOM 1217 CA ALA A 77 -12.080 7.209 7.214 1.00 0.00 C ATOM 1218 C ALA A 77 -11.545 7.932 8.404 1.00 0.00 C ATOM 1219 O ALA A 77 -12.243 8.703 9.065 1.00 0.00 O ATOM 1220 CB ALA A 77 -12.478 5.790 7.579 1.00 0.00 C ATOM 0 H ALA A 77 -10.509 6.372 6.135 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.975 7.718 6.856 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.230 5.814 8.368 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.889 5.290 6.702 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.602 5.245 7.930 1.00 0.00 H new ATOM 1226 N ASN A 78 -10.282 7.691 8.657 1.00 0.00 N ATOM 1227 CA ASN A 78 -9.595 8.250 9.775 1.00 0.00 C ATOM 1228 C ASN A 78 -9.478 9.751 9.659 1.00 0.00 C ATOM 1229 O ASN A 78 -9.678 10.474 10.627 1.00 0.00 O ATOM 1230 CB ASN A 78 -8.192 7.679 9.899 1.00 0.00 C ATOM 1231 CG ASN A 78 -8.080 6.180 10.095 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -7.045 5.609 9.766 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -9.099 5.540 10.602 1.00 0.00 N ATOM 0 H ASN A 78 -9.700 7.088 8.075 1.00 0.00 H new ATOM 0 HA ASN A 78 -10.182 7.994 10.657 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.635 7.947 9.001 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.698 8.169 10.738 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -9.051 4.530 10.737 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -9.943 6.050 10.863 1.00 0.00 H new ATOM 1240 N GLY A 79 -9.177 10.211 8.475 1.00 0.00 N ATOM 1241 CA GLY A 79 -8.950 11.611 8.275 1.00 0.00 C ATOM 1242 C GLY A 79 -7.478 11.885 8.132 1.00 0.00 C ATOM 1243 O GLY A 79 -6.975 12.934 8.542 1.00 0.00 O ATOM 0 H GLY A 79 -9.084 9.636 7.638 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.478 11.948 7.383 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.352 12.176 9.116 1.00 0.00 H new ATOM 1247 N LYS A 80 -6.780 10.923 7.567 1.00 0.00 N ATOM 1248 CA LYS A 80 -5.383 11.023 7.319 1.00 0.00 C ATOM 1249 C LYS A 80 -5.164 11.513 5.893 1.00 0.00 C ATOM 1250 O LYS A 80 -6.111 11.983 5.243 1.00 0.00 O ATOM 1251 CB LYS A 80 -4.744 9.657 7.503 1.00 0.00 C ATOM 1252 CG LYS A 80 -4.705 9.168 8.944 1.00 0.00 C ATOM 1253 CD LYS A 80 -4.083 7.794 9.018 1.00 0.00 C ATOM 1254 CE LYS A 80 -3.886 7.295 10.461 1.00 0.00 C ATOM 1255 NZ LYS A 80 -5.151 7.084 11.200 1.00 0.00 N ATOM 0 H LYS A 80 -7.189 10.038 7.267 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.929 11.728 8.016 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.289 8.931 6.901 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.725 9.691 7.116 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.134 9.866 9.556 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.715 9.139 9.352 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.714 7.087 8.479 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.118 7.811 8.511 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.329 6.358 10.438 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.275 8.016 11.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.939 6.765 12.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.684 7.976 11.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.720 6.362 10.714 1.00 0.00 H new ATOM 1269 N SER A 81 -3.946 11.410 5.416 1.00 0.00 N ATOM 1270 CA SER A 81 -3.610 11.796 4.064 1.00 0.00 C ATOM 1271 C SER A 81 -4.294 10.844 3.050 1.00 0.00 C ATOM 1272 O SER A 81 -4.810 9.776 3.424 1.00 0.00 O ATOM 1273 CB SER A 81 -2.085 11.753 3.905 1.00 0.00 C ATOM 1274 OG SER A 81 -1.664 12.272 2.650 1.00 0.00 O ATOM 0 H SER A 81 -3.157 11.055 5.956 1.00 0.00 H new ATOM 0 HA SER A 81 -3.966 12.807 3.867 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.621 12.326 4.708 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.739 10.724 4.006 1.00 0.00 H new ATOM 0 HG SER A 81 -0.687 12.228 2.589 1.00 0.00 H new ATOM 1280 N GLY A 82 -4.279 11.221 1.792 1.00 0.00 N ATOM 1281 CA GLY A 82 -4.888 10.428 0.759 1.00 0.00 C ATOM 1282 C GLY A 82 -3.962 10.263 -0.408 1.00 0.00 C ATOM 1283 O GLY A 82 -2.784 10.604 -0.308 1.00 0.00 O ATOM 0 H GLY A 82 -3.845 12.083 1.461 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.155 9.449 1.157 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.813 10.902 0.430 1.00 0.00 H new ATOM 1287 N PHE A 83 -4.453 9.705 -1.488 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.673 9.557 -2.673 1.00 0.00 C ATOM 1289 C PHE A 83 -3.884 10.766 -3.560 1.00 0.00 C ATOM 1290 O PHE A 83 -4.737 11.628 -3.265 1.00 0.00 O ATOM 1291 CB PHE A 83 -4.040 8.268 -3.437 1.00 0.00 C ATOM 1292 CG PHE A 83 -3.777 6.992 -2.672 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.486 6.683 -2.305 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -4.806 6.098 -2.312 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -2.205 5.539 -1.609 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -4.508 4.946 -1.612 1.00 0.00 C ATOM 1297 CZ PHE A 83 -3.208 4.668 -1.263 1.00 0.00 C ATOM 0 H PHE A 83 -5.404 9.344 -1.561 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.623 9.481 -2.389 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -5.096 8.306 -3.703 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.477 8.240 -4.370 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.683 7.354 -2.571 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -5.828 6.315 -2.584 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.185 5.319 -1.329 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -5.298 4.262 -1.338 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.976 3.765 -0.717 1.00 0.00 H new ATOM 1307 N LYS A 84 -3.103 10.861 -4.604 1.00 0.00 N ATOM 1308 CA LYS A 84 -3.259 11.907 -5.562 1.00 0.00 C ATOM 1309 C LYS A 84 -4.577 11.705 -6.288 1.00 0.00 C ATOM 1310 O LYS A 84 -4.838 10.648 -6.872 1.00 0.00 O ATOM 1311 CB LYS A 84 -2.104 11.913 -6.554 1.00 0.00 C ATOM 1312 CG LYS A 84 -2.147 13.034 -7.586 1.00 0.00 C ATOM 1313 CD LYS A 84 -1.647 14.347 -7.018 1.00 0.00 C ATOM 1314 CE LYS A 84 -0.126 14.333 -6.867 1.00 0.00 C ATOM 1315 NZ LYS A 84 0.558 14.240 -8.178 1.00 0.00 N ATOM 0 H LYS A 84 -2.343 10.212 -4.808 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.259 12.869 -5.050 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.169 11.986 -5.999 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -2.090 10.957 -7.078 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.540 12.757 -8.448 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -3.169 13.159 -7.943 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.944 15.167 -7.672 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.111 14.528 -6.048 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.196 15.238 -6.353 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.169 13.490 -6.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.540 14.567 -8.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 0.552 13.252 -8.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.062 14.836 -8.871 1.00 0.00 H new ATOM 1329 N GLN A 85 -5.377 12.705 -6.228 1.00 0.00 N ATOM 1330 CA GLN A 85 -6.715 12.718 -6.800 1.00 0.00 C ATOM 1331 C GLN A 85 -6.718 13.552 -8.066 1.00 0.00 C ATOM 1332 O GLN A 85 -7.755 14.026 -8.539 1.00 0.00 O ATOM 1333 CB GLN A 85 -7.729 13.285 -5.777 1.00 0.00 C ATOM 1334 CG GLN A 85 -7.533 14.767 -5.355 1.00 0.00 C ATOM 1335 CD GLN A 85 -6.214 15.060 -4.637 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -5.196 15.493 -5.369 1.00 0.00 O flip ATOM 1337 NE2 GLN A 85 -6.120 14.932 -3.429 1.00 0.00 N flip ATOM 0 H GLN A 85 -5.129 13.580 -5.767 1.00 0.00 H new ATOM 0 HA GLN A 85 -7.010 11.698 -7.046 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.730 13.179 -6.194 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.690 12.667 -4.880 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -7.594 15.394 -6.244 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.357 15.057 -4.703 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -6.917 14.597 -2.888 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -5.244 15.160 -2.959 1.00 0.00 H new ATOM 1346 N GLY A 86 -5.567 13.684 -8.623 1.00 0.00 N ATOM 1347 CA GLY A 86 -5.383 14.502 -9.772 1.00 0.00 C ATOM 1348 C GLY A 86 -5.197 15.925 -9.354 1.00 0.00 C ATOM 1349 O GLY A 86 -4.685 16.157 -8.229 1.00 0.00 O ATOM 1350 OXT GLY A 86 -5.564 16.836 -10.113 1.00 0.00 O ATOM 0 H GLY A 86 -4.718 13.224 -8.293 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.515 14.162 -10.337 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -6.246 14.417 -10.433 1.00 0.00 H new TER 1354 GLY A 86