USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 640 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 4 LYS NZ :NH3+ 162:sc= 1.4 (180deg=1.14) USER MOD Set 1.2: A 10 TYR OH : rot 180:sc= 0.276 USER MOD Set 2.1: A 5 HIS : no HE2:sc= 0.559 K(o=0.56,f=-4.3!) USER MOD Set 2.2: A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -25:sc= 1.07 USER MOD Single : A 11 THR OG1 : rot -88:sc= 1.16 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00728) USER MOD Single : A 23 CYS SG : rot 70:sc= 1.09 USER MOD Single : A 29 THR OG1 : rot -170:sc= -0.215 USER MOD Single : A 34 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 35 LYS NZ :NH3+ -135:sc= 0.924 (180deg=0.0168) USER MOD Single : A 44 THR OG1 : rot -148:sc= -0.929! USER MOD Single : A 46 HIS : no HD1:sc= -1.15 K(o=-1.2,f=-7!) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0118 USER MOD Single : A 54 TYR OH : rot 64:sc= 1.24 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -170:sc= 0.757 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -159:sc= 1.15 (180deg=0.978) USER MOD Single : A 78 ASN : amide:sc= 1.2 K(o=1.2,f=-0.014) USER MOD Single : A 80 LYS NZ :NH3+ 163:sc= 1.24 (180deg=0.923) USER MOD Single : A 81 SER OG : rot 180:sc= 0.00381 USER MOD Single : A 84 LYS NZ :NH3+ 177:sc= 1.32 (180deg=1.23) USER MOD Single : A 85 GLN :FLIP amide:sc= -0.368 F(o=-3!,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 4 9.592 10.210 -4.641 1.00 0.00 N ATOM 36 CA LYS A 4 8.392 10.785 -4.052 1.00 0.00 C ATOM 37 C LYS A 4 8.636 11.338 -2.653 1.00 0.00 C ATOM 38 O LYS A 4 9.619 10.980 -1.986 1.00 0.00 O ATOM 39 CB LYS A 4 7.276 9.723 -4.008 1.00 0.00 C ATOM 40 CG LYS A 4 7.698 8.340 -3.458 1.00 0.00 C ATOM 41 CD LYS A 4 7.957 8.309 -1.950 1.00 0.00 C ATOM 42 CE LYS A 4 8.006 6.882 -1.405 1.00 0.00 C ATOM 43 NZ LYS A 4 8.953 5.996 -2.124 1.00 0.00 N ATOM 0 HA LYS A 4 8.089 11.622 -4.681 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.459 10.104 -3.396 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.884 9.590 -5.016 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.919 7.616 -3.695 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.601 8.017 -3.976 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.900 8.812 -1.734 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.174 8.866 -1.436 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.284 6.915 -0.351 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.007 6.449 -1.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.164 5.164 -1.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.527 5.688 -3.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.833 6.514 -2.319 1.00 0.00 H new ATOM 57 N HIS A 5 7.744 12.169 -2.202 1.00 0.00 N ATOM 58 CA HIS A 5 7.851 12.707 -0.864 1.00 0.00 C ATOM 59 C HIS A 5 6.904 11.974 0.105 1.00 0.00 C ATOM 60 O HIS A 5 7.136 11.973 1.318 1.00 0.00 O ATOM 61 CB HIS A 5 7.597 14.238 -0.843 1.00 0.00 C ATOM 62 CG HIS A 5 6.181 14.655 -1.141 1.00 0.00 C ATOM 63 ND1 HIS A 5 5.612 14.588 -2.380 1.00 0.00 N ATOM 64 CD2 HIS A 5 5.210 15.107 -0.310 1.00 0.00 C ATOM 65 CE1 HIS A 5 4.350 14.978 -2.281 1.00 0.00 C ATOM 66 NE2 HIS A 5 4.045 15.312 -1.038 1.00 0.00 N ATOM 0 H HIS A 5 6.935 12.492 -2.732 1.00 0.00 H new ATOM 0 HA HIS A 5 8.873 12.541 -0.525 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.874 14.623 0.138 1.00 0.00 H new ATOM 0 HB3 HIS A 5 8.259 14.710 -1.569 1.00 0.00 H new ATOM 0 HD1 HIS A 5 6.079 14.289 -3.236 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.324 15.280 0.750 1.00 0.00 H new ATOM 0 HE1 HIS A 5 3.658 15.018 -3.109 1.00 0.00 H new ATOM 74 N SER A 6 5.847 11.344 -0.421 1.00 0.00 N ATOM 75 CA SER A 6 4.867 10.678 0.434 1.00 0.00 C ATOM 76 C SER A 6 4.002 9.710 -0.371 1.00 0.00 C ATOM 77 O SER A 6 4.215 9.532 -1.571 1.00 0.00 O ATOM 78 CB SER A 6 3.958 11.738 1.055 1.00 0.00 C ATOM 79 OG SER A 6 3.246 12.429 0.039 1.00 0.00 O ATOM 0 H SER A 6 5.653 11.283 -1.420 1.00 0.00 H new ATOM 0 HA SER A 6 5.400 10.117 1.202 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.257 11.268 1.745 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.553 12.443 1.636 1.00 0.00 H new ATOM 0 HG SER A 6 2.666 13.105 0.448 1.00 0.00 H new ATOM 85 N ILE A 7 3.028 9.098 0.306 1.00 0.00 N ATOM 86 CA ILE A 7 2.031 8.246 -0.332 1.00 0.00 C ATOM 87 C ILE A 7 1.064 9.097 -1.154 1.00 0.00 C ATOM 88 O ILE A 7 0.561 8.666 -2.173 1.00 0.00 O ATOM 89 CB ILE A 7 1.223 7.418 0.705 1.00 0.00 C ATOM 90 CG1 ILE A 7 0.148 6.575 0.014 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.604 8.315 1.774 1.00 0.00 C ATOM 92 CD1 ILE A 7 -0.615 5.694 0.954 1.00 0.00 C ATOM 0 H ILE A 7 2.911 9.182 1.316 1.00 0.00 H new ATOM 0 HA ILE A 7 2.567 7.552 -0.979 1.00 0.00 H new ATOM 0 HB ILE A 7 1.920 6.742 1.201 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.550 7.238 -0.497 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.618 5.956 -0.751 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.046 7.704 2.483 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.393 8.852 2.300 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.070 9.031 1.303 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.360 5.126 0.397 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.072 5.006 1.447 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.114 6.308 1.704 1.00 0.00 H new ATOM 104 N SER A 8 0.851 10.330 -0.729 1.00 0.00 N ATOM 105 CA SER A 8 -0.052 11.203 -1.417 1.00 0.00 C ATOM 106 C SER A 8 0.634 11.823 -2.639 1.00 0.00 C ATOM 107 O SER A 8 0.055 12.631 -3.362 1.00 0.00 O ATOM 108 CB SER A 8 -0.622 12.233 -0.439 1.00 0.00 C ATOM 109 OG SER A 8 -1.217 11.560 0.655 1.00 0.00 O ATOM 0 H SER A 8 1.297 10.739 0.092 1.00 0.00 H new ATOM 0 HA SER A 8 -0.901 10.640 -1.804 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.170 12.894 -0.087 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.360 12.859 -0.941 1.00 0.00 H new ATOM 0 HG SER A 8 -1.495 10.663 0.375 1.00 0.00 H new ATOM 115 N ASP A 9 1.880 11.415 -2.854 1.00 0.00 N ATOM 116 CA ASP A 9 2.627 11.770 -4.047 1.00 0.00 C ATOM 117 C ASP A 9 2.391 10.663 -5.084 1.00 0.00 C ATOM 118 O ASP A 9 2.731 10.781 -6.260 1.00 0.00 O ATOM 119 CB ASP A 9 4.109 11.856 -3.722 1.00 0.00 C ATOM 120 CG ASP A 9 4.926 12.619 -4.744 1.00 0.00 C ATOM 121 OD1 ASP A 9 4.404 13.018 -5.808 1.00 0.00 O ATOM 122 OD2 ASP A 9 6.099 12.900 -4.449 1.00 0.00 O ATOM 0 H ASP A 9 2.399 10.827 -2.201 1.00 0.00 H new ATOM 0 HA ASP A 9 2.301 12.737 -4.430 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.229 12.332 -2.749 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.509 10.846 -3.634 1.00 0.00 H new ATOM 127 N TYR A 10 1.807 9.586 -4.627 1.00 0.00 N ATOM 128 CA TYR A 10 1.427 8.498 -5.482 1.00 0.00 C ATOM 129 C TYR A 10 0.012 8.685 -5.862 1.00 0.00 C ATOM 130 O TYR A 10 -0.798 9.145 -5.048 1.00 0.00 O ATOM 131 CB TYR A 10 1.519 7.138 -4.772 1.00 0.00 C ATOM 132 CG TYR A 10 2.894 6.609 -4.534 1.00 0.00 C ATOM 133 CD1 TYR A 10 3.718 7.165 -3.590 1.00 0.00 C ATOM 134 CD2 TYR A 10 3.362 5.523 -5.255 1.00 0.00 C ATOM 135 CE1 TYR A 10 4.955 6.676 -3.371 1.00 0.00 C ATOM 136 CE2 TYR A 10 4.617 5.020 -5.039 1.00 0.00 C ATOM 137 CZ TYR A 10 5.416 5.601 -4.095 1.00 0.00 C ATOM 138 OH TYR A 10 6.686 5.114 -3.867 1.00 0.00 O ATOM 0 H TYR A 10 1.581 9.441 -3.643 1.00 0.00 H new ATOM 0 HA TYR A 10 2.103 8.498 -6.337 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.012 7.219 -3.810 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.968 6.406 -5.362 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.370 8.009 -3.012 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.727 5.066 -5.999 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.588 7.131 -2.623 1.00 0.00 H new ATOM 0 HE2 TYR A 10 4.971 4.173 -5.608 1.00 0.00 H new ATOM 0 HH TYR A 10 6.856 4.353 -4.460 1.00 0.00 H new ATOM 148 N THR A 11 -0.302 8.377 -7.068 1.00 0.00 N ATOM 149 CA THR A 11 -1.661 8.309 -7.446 1.00 0.00 C ATOM 150 C THR A 11 -2.167 6.963 -6.951 1.00 0.00 C ATOM 151 O THR A 11 -1.345 6.094 -6.555 1.00 0.00 O ATOM 152 CB THR A 11 -1.820 8.424 -8.966 1.00 0.00 C ATOM 153 OG1 THR A 11 -1.013 7.434 -9.607 1.00 0.00 O ATOM 154 CG2 THR A 11 -1.416 9.811 -9.449 1.00 0.00 C ATOM 0 H THR A 11 0.367 8.168 -7.809 1.00 0.00 H new ATOM 0 HA THR A 11 -2.230 9.133 -7.015 1.00 0.00 H new ATOM 0 HB THR A 11 -2.868 8.264 -9.220 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.112 7.791 -9.753 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.537 9.869 -10.531 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.048 10.561 -8.972 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.374 9.997 -9.190 1.00 0.00 H new ATOM 162 N GLU A 12 -3.462 6.763 -6.958 1.00 0.00 N ATOM 163 CA GLU A 12 -4.026 5.533 -6.459 1.00 0.00 C ATOM 164 C GLU A 12 -3.509 4.348 -7.266 1.00 0.00 C ATOM 165 O GLU A 12 -3.203 3.312 -6.715 1.00 0.00 O ATOM 166 CB GLU A 12 -5.547 5.604 -6.461 1.00 0.00 C ATOM 167 CG GLU A 12 -6.228 4.426 -5.796 1.00 0.00 C ATOM 168 CD GLU A 12 -7.698 4.649 -5.652 1.00 0.00 C ATOM 169 OE1 GLU A 12 -8.091 5.495 -4.851 1.00 0.00 O ATOM 170 OE2 GLU A 12 -8.496 3.983 -6.331 1.00 0.00 O ATOM 0 H GLU A 12 -4.146 7.436 -7.304 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.709 5.389 -5.426 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.857 6.519 -5.957 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.894 5.675 -7.492 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.052 3.525 -6.383 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.787 4.258 -4.813 1.00 0.00 H new ATOM 177 N ALA A 13 -3.326 4.558 -8.556 1.00 0.00 N ATOM 178 CA ALA A 13 -2.815 3.517 -9.447 1.00 0.00 C ATOM 179 C ALA A 13 -1.358 3.165 -9.128 1.00 0.00 C ATOM 180 O ALA A 13 -1.024 2.000 -8.999 1.00 0.00 O ATOM 181 CB ALA A 13 -2.956 3.926 -10.897 1.00 0.00 C ATOM 0 H ALA A 13 -3.524 5.445 -9.019 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.418 2.624 -9.280 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.568 3.134 -11.538 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.008 4.096 -11.126 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.393 4.843 -11.073 1.00 0.00 H new ATOM 187 N GLU A 14 -0.507 4.179 -8.970 1.00 0.00 N ATOM 188 CA GLU A 14 0.926 3.961 -8.649 1.00 0.00 C ATOM 189 C GLU A 14 1.088 3.273 -7.319 1.00 0.00 C ATOM 190 O GLU A 14 1.970 2.431 -7.142 1.00 0.00 O ATOM 191 CB GLU A 14 1.678 5.268 -8.615 1.00 0.00 C ATOM 192 CG GLU A 14 1.793 5.958 -9.938 1.00 0.00 C ATOM 193 CD GLU A 14 2.338 7.334 -9.774 1.00 0.00 C ATOM 194 OE1 GLU A 14 3.558 7.502 -9.674 1.00 0.00 O ATOM 195 OE2 GLU A 14 1.539 8.286 -9.732 1.00 0.00 O ATOM 0 H GLU A 14 -0.772 5.160 -9.056 1.00 0.00 H new ATOM 0 HA GLU A 14 1.335 3.326 -9.435 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.183 5.938 -7.913 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.680 5.085 -8.228 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.442 5.382 -10.598 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.814 6.005 -10.415 1.00 0.00 H new ATOM 202 N PHE A 15 0.253 3.628 -6.390 1.00 0.00 N ATOM 203 CA PHE A 15 0.275 3.001 -5.103 1.00 0.00 C ATOM 204 C PHE A 15 -0.316 1.617 -5.198 1.00 0.00 C ATOM 205 O PHE A 15 0.079 0.732 -4.511 1.00 0.00 O ATOM 206 CB PHE A 15 -0.432 3.841 -4.062 1.00 0.00 C ATOM 207 CG PHE A 15 -0.381 3.241 -2.702 1.00 0.00 C ATOM 208 CD1 PHE A 15 0.691 3.473 -1.868 1.00 0.00 C ATOM 209 CD2 PHE A 15 -1.411 2.442 -2.261 1.00 0.00 C ATOM 210 CE1 PHE A 15 0.729 2.914 -0.614 1.00 0.00 C ATOM 211 CE2 PHE A 15 -1.387 1.890 -1.024 1.00 0.00 C ATOM 212 CZ PHE A 15 -0.319 2.121 -0.192 1.00 0.00 C ATOM 0 H PHE A 15 -0.456 4.353 -6.500 1.00 0.00 H new ATOM 0 HA PHE A 15 1.312 2.912 -4.778 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.021 4.832 -4.034 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.473 3.974 -4.356 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.506 4.098 -2.202 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.252 2.252 -2.911 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.572 3.093 0.037 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.206 1.269 -0.693 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.299 1.681 0.794 1.00 0.00 H new ATOM 222 N LEU A 16 -1.251 1.439 -6.045 1.00 0.00 N ATOM 223 CA LEU A 16 -1.829 0.129 -6.248 1.00 0.00 C ATOM 224 C LEU A 16 -0.816 -0.779 -6.926 1.00 0.00 C ATOM 225 O LEU A 16 -0.866 -2.002 -6.819 1.00 0.00 O ATOM 226 CB LEU A 16 -3.149 0.289 -6.993 1.00 0.00 C ATOM 227 CG LEU A 16 -4.030 -0.903 -7.110 1.00 0.00 C ATOM 228 CD1 LEU A 16 -5.472 -0.468 -7.044 1.00 0.00 C ATOM 229 CD2 LEU A 16 -3.816 -1.582 -8.396 1.00 0.00 C ATOM 0 H LEU A 16 -1.651 2.177 -6.625 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.067 -0.362 -5.304 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.717 1.078 -6.501 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.924 0.639 -8.000 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.793 -1.585 -6.293 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.120 -1.341 -7.130 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.659 0.030 -6.093 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.682 0.221 -7.862 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.470 -2.451 -8.462 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.042 -0.895 -9.212 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.777 -1.903 -8.469 1.00 0.00 H new ATOM 241 N GLU A 17 0.102 -0.171 -7.583 1.00 0.00 N ATOM 242 CA GLU A 17 1.233 -0.864 -8.096 1.00 0.00 C ATOM 243 C GLU A 17 2.222 -1.204 -6.973 1.00 0.00 C ATOM 244 O GLU A 17 3.003 -2.100 -7.136 1.00 0.00 O ATOM 245 CB GLU A 17 1.933 -0.109 -9.212 1.00 0.00 C ATOM 246 CG GLU A 17 1.109 0.061 -10.469 1.00 0.00 C ATOM 247 CD GLU A 17 1.922 0.657 -11.575 1.00 0.00 C ATOM 248 OE1 GLU A 17 2.686 -0.083 -12.217 1.00 0.00 O ATOM 249 OE2 GLU A 17 1.839 1.877 -11.818 1.00 0.00 O ATOM 0 H GLU A 17 0.093 0.829 -7.783 1.00 0.00 H new ATOM 0 HA GLU A 17 0.856 -1.790 -8.530 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.218 0.877 -8.844 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.855 -0.633 -9.465 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.717 -0.906 -10.783 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.251 0.700 -10.260 1.00 0.00 H new ATOM 256 N PHE A 18 2.151 -0.485 -5.810 1.00 0.00 N ATOM 257 CA PHE A 18 3.050 -0.754 -4.630 1.00 0.00 C ATOM 258 C PHE A 18 2.933 -2.198 -4.281 1.00 0.00 C ATOM 259 O PHE A 18 3.903 -2.938 -4.244 1.00 0.00 O ATOM 260 CB PHE A 18 2.683 0.134 -3.319 1.00 0.00 C ATOM 261 CG PHE A 18 1.943 -0.577 -2.087 1.00 0.00 C ATOM 262 CD1 PHE A 18 0.541 -0.680 -2.001 1.00 0.00 C ATOM 263 CD2 PHE A 18 2.673 -1.131 -1.045 1.00 0.00 C ATOM 264 CE1 PHE A 18 -0.080 -1.319 -0.904 1.00 0.00 C ATOM 265 CE2 PHE A 18 2.052 -1.758 0.034 1.00 0.00 C ATOM 266 CZ PHE A 18 0.684 -1.850 0.100 1.00 0.00 C ATOM 0 H PHE A 18 1.490 0.277 -5.661 1.00 0.00 H new ATOM 0 HA PHE A 18 4.064 -0.479 -4.921 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.610 0.565 -2.942 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.056 0.963 -3.647 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.071 -0.263 -2.788 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.751 -1.075 -1.071 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.157 -1.388 -0.858 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.654 -2.176 0.827 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.213 -2.339 0.940 1.00 0.00 H new ATOM 276 N VAL A 19 1.717 -2.586 -4.129 1.00 0.00 N ATOM 277 CA VAL A 19 1.370 -3.873 -3.655 1.00 0.00 C ATOM 278 C VAL A 19 1.631 -4.942 -4.695 1.00 0.00 C ATOM 279 O VAL A 19 2.175 -5.997 -4.379 1.00 0.00 O ATOM 280 CB VAL A 19 -0.090 -3.878 -3.115 1.00 0.00 C ATOM 281 CG1 VAL A 19 -1.087 -3.422 -4.146 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.466 -5.195 -2.487 1.00 0.00 C ATOM 0 H VAL A 19 0.912 -1.995 -4.339 1.00 0.00 H new ATOM 0 HA VAL A 19 2.018 -4.123 -2.815 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.124 -3.139 -2.314 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.089 -3.444 -3.718 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.848 -2.405 -4.458 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.047 -4.086 -5.010 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.493 -5.146 -2.126 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.379 -5.990 -3.228 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.202 -5.404 -1.651 1.00 0.00 H new ATOM 292 N LYS A 20 1.296 -4.641 -5.929 1.00 0.00 N ATOM 293 CA LYS A 20 1.550 -5.536 -7.038 1.00 0.00 C ATOM 294 C LYS A 20 3.050 -5.745 -7.204 1.00 0.00 C ATOM 295 O LYS A 20 3.505 -6.846 -7.437 1.00 0.00 O ATOM 296 CB LYS A 20 0.959 -4.948 -8.299 1.00 0.00 C ATOM 297 CG LYS A 20 -0.532 -5.094 -8.351 1.00 0.00 C ATOM 298 CD LYS A 20 -1.157 -4.120 -9.299 1.00 0.00 C ATOM 299 CE LYS A 20 -2.616 -4.449 -9.541 1.00 0.00 C ATOM 300 NZ LYS A 20 -2.805 -5.476 -10.581 1.00 0.00 N ATOM 0 H LYS A 20 0.839 -3.768 -6.194 1.00 0.00 H new ATOM 0 HA LYS A 20 1.086 -6.502 -6.841 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.221 -3.892 -8.362 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.400 -5.438 -9.167 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.787 -6.110 -8.654 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.946 -4.946 -7.354 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.071 -3.111 -8.896 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.617 -4.133 -10.246 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.065 -4.794 -8.610 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.145 -3.542 -9.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.821 -5.662 -10.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.402 -5.139 -11.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.325 -6.353 -10.294 1.00 0.00 H new ATOM 314 N LYS A 21 3.802 -4.672 -7.031 1.00 0.00 N ATOM 315 CA LYS A 21 5.253 -4.676 -7.127 1.00 0.00 C ATOM 316 C LYS A 21 5.842 -5.565 -6.055 1.00 0.00 C ATOM 317 O LYS A 21 6.710 -6.350 -6.329 1.00 0.00 O ATOM 318 CB LYS A 21 5.796 -3.255 -6.963 1.00 0.00 C ATOM 319 CG LYS A 21 7.288 -3.093 -7.210 1.00 0.00 C ATOM 320 CD LYS A 21 7.762 -1.673 -6.892 1.00 0.00 C ATOM 321 CE LYS A 21 6.975 -0.600 -7.661 1.00 0.00 C ATOM 322 NZ LYS A 21 7.033 -0.785 -9.123 1.00 0.00 N ATOM 0 H LYS A 21 3.414 -3.754 -6.815 1.00 0.00 H new ATOM 0 HA LYS A 21 5.535 -5.058 -8.108 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.259 -2.598 -7.647 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.573 -2.914 -5.952 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.838 -3.807 -6.597 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.512 -3.327 -8.251 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.664 -1.493 -5.822 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.821 -1.585 -7.134 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.934 -0.619 -7.338 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.370 0.384 -7.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.529 -0.006 -9.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.026 -0.791 -9.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.586 -1.689 -9.377 1.00 0.00 H new ATOM 336 N ILE A 22 5.359 -5.440 -4.838 1.00 0.00 N ATOM 337 CA ILE A 22 5.834 -6.286 -3.741 1.00 0.00 C ATOM 338 C ILE A 22 5.556 -7.746 -4.081 1.00 0.00 C ATOM 339 O ILE A 22 6.417 -8.614 -3.950 1.00 0.00 O ATOM 340 CB ILE A 22 5.138 -5.920 -2.411 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.368 -4.440 -2.113 1.00 0.00 C ATOM 342 CG2 ILE A 22 5.669 -6.792 -1.270 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.688 -3.930 -0.886 1.00 0.00 C ATOM 0 H ILE A 22 4.640 -4.766 -4.574 1.00 0.00 H new ATOM 0 HA ILE A 22 6.905 -6.126 -3.616 1.00 0.00 H new ATOM 0 HB ILE A 22 4.067 -6.104 -2.501 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.440 -4.267 -2.015 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.028 -3.856 -2.968 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.168 -6.520 -0.341 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.475 -7.841 -1.494 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.742 -6.636 -1.162 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.912 -2.871 -0.760 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.611 -4.064 -0.985 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.044 -4.482 -0.016 1.00 0.00 H new ATOM 355 N CYS A 23 4.372 -7.973 -4.585 1.00 0.00 N ATOM 356 CA CYS A 23 3.929 -9.275 -4.980 1.00 0.00 C ATOM 357 C CYS A 23 4.789 -9.867 -6.120 1.00 0.00 C ATOM 358 O CYS A 23 5.219 -11.016 -6.042 1.00 0.00 O ATOM 359 CB CYS A 23 2.465 -9.195 -5.412 1.00 0.00 C ATOM 360 SG CYS A 23 1.319 -8.760 -4.088 1.00 0.00 S ATOM 0 H CYS A 23 3.678 -7.240 -4.734 1.00 0.00 H new ATOM 0 HA CYS A 23 4.035 -9.941 -4.124 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.374 -8.459 -6.211 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.169 -10.157 -5.830 1.00 0.00 H new ATOM 0 HG CYS A 23 1.501 -7.519 -3.747 1.00 0.00 H new ATOM 366 N ARG A 24 5.063 -9.075 -7.145 1.00 0.00 N ATOM 367 CA ARG A 24 5.718 -9.588 -8.345 1.00 0.00 C ATOM 368 C ARG A 24 7.233 -9.328 -8.428 1.00 0.00 C ATOM 369 O ARG A 24 7.970 -10.133 -8.965 1.00 0.00 O ATOM 370 CB ARG A 24 5.055 -9.017 -9.583 1.00 0.00 C ATOM 371 CG ARG A 24 5.314 -7.554 -9.828 1.00 0.00 C ATOM 372 CD ARG A 24 4.668 -7.140 -11.096 1.00 0.00 C ATOM 373 NE ARG A 24 5.171 -7.921 -12.228 1.00 0.00 N ATOM 374 CZ ARG A 24 4.490 -8.199 -13.335 1.00 0.00 C ATOM 375 NH1 ARG A 24 3.282 -7.692 -13.527 1.00 0.00 N ATOM 376 NH2 ARG A 24 5.033 -8.973 -14.258 1.00 0.00 N ATOM 0 H ARG A 24 4.845 -8.079 -7.173 1.00 0.00 H new ATOM 0 HA ARG A 24 5.599 -10.670 -8.286 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.395 -9.581 -10.452 1.00 0.00 H new ATOM 0 HB3 ARG A 24 3.979 -9.172 -9.504 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.925 -6.962 -9.000 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.387 -7.367 -9.877 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.588 -7.266 -11.015 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.852 -6.080 -11.272 1.00 0.00 H new ATOM 0 HE ARG A 24 6.123 -8.282 -12.161 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.867 -7.083 -12.822 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.767 -7.911 -14.380 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.969 -9.353 -14.119 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.516 -9.190 -15.110 1.00 0.00 H new ATOM 390 N ALA A 25 7.669 -8.228 -7.895 1.00 0.00 N ATOM 391 CA ALA A 25 9.023 -7.724 -8.076 1.00 0.00 C ATOM 392 C ALA A 25 9.857 -7.874 -6.815 1.00 0.00 C ATOM 393 O ALA A 25 10.829 -7.141 -6.637 1.00 0.00 O ATOM 394 CB ALA A 25 8.979 -6.268 -8.527 1.00 0.00 C ATOM 0 H ALA A 25 7.090 -7.631 -7.305 1.00 0.00 H new ATOM 0 HA ALA A 25 9.504 -8.323 -8.849 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.995 -5.898 -8.660 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.440 -6.196 -9.471 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.471 -5.668 -7.772 1.00 0.00 H new ATOM 400 N GLU A 26 9.444 -8.821 -5.955 1.00 0.00 N ATOM 401 CA GLU A 26 10.044 -9.156 -4.615 1.00 0.00 C ATOM 402 C GLU A 26 11.592 -9.015 -4.514 1.00 0.00 C ATOM 403 O GLU A 26 12.126 -8.825 -3.430 1.00 0.00 O ATOM 404 CB GLU A 26 9.632 -10.584 -4.220 1.00 0.00 C ATOM 405 CG GLU A 26 10.087 -11.656 -5.208 1.00 0.00 C ATOM 406 CD GLU A 26 9.611 -13.038 -4.843 1.00 0.00 C ATOM 407 OE1 GLU A 26 8.529 -13.447 -5.296 1.00 0.00 O ATOM 408 OE2 GLU A 26 10.333 -13.763 -4.126 1.00 0.00 O ATOM 0 H GLU A 26 8.643 -9.414 -6.170 1.00 0.00 H new ATOM 0 HA GLU A 26 9.647 -8.410 -3.926 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.044 -10.812 -3.237 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.547 -10.626 -4.128 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.721 -11.403 -6.203 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.176 -11.655 -5.260 1.00 0.00 H new ATOM 415 N GLY A 27 12.287 -9.169 -5.617 1.00 0.00 N ATOM 416 CA GLY A 27 13.699 -8.964 -5.632 1.00 0.00 C ATOM 417 C GLY A 27 14.420 -10.255 -5.711 1.00 0.00 C ATOM 418 O GLY A 27 14.932 -10.630 -6.777 1.00 0.00 O ATOM 0 H GLY A 27 11.886 -9.437 -6.516 1.00 0.00 H new ATOM 0 HA2 GLY A 27 13.971 -8.339 -6.482 1.00 0.00 H new ATOM 0 HA3 GLY A 27 14.002 -8.428 -4.733 1.00 0.00 H new ATOM 422 N ALA A 28 14.428 -10.961 -4.616 1.00 0.00 N ATOM 423 CA ALA A 28 15.087 -12.243 -4.529 1.00 0.00 C ATOM 424 C ALA A 28 14.692 -12.914 -3.260 1.00 0.00 C ATOM 425 O ALA A 28 14.088 -13.994 -3.250 1.00 0.00 O ATOM 426 CB ALA A 28 16.604 -12.079 -4.545 1.00 0.00 C ATOM 0 H ALA A 28 13.976 -10.666 -3.751 1.00 0.00 H new ATOM 0 HA ALA A 28 14.787 -12.842 -5.389 1.00 0.00 H new ATOM 0 HB1 ALA A 28 17.077 -13.059 -4.478 1.00 0.00 H new ATOM 0 HB2 ALA A 28 16.908 -11.592 -5.472 1.00 0.00 H new ATOM 0 HB3 ALA A 28 16.913 -11.469 -3.696 1.00 0.00 H new ATOM 432 N THR A 29 15.026 -12.263 -2.202 1.00 0.00 N ATOM 433 CA THR A 29 14.794 -12.731 -0.896 1.00 0.00 C ATOM 434 C THR A 29 13.552 -12.067 -0.336 1.00 0.00 C ATOM 435 O THR A 29 13.110 -11.025 -0.848 1.00 0.00 O ATOM 436 CB THR A 29 15.999 -12.349 -0.052 1.00 0.00 C ATOM 437 OG1 THR A 29 16.273 -10.954 -0.274 1.00 0.00 O ATOM 438 CG2 THR A 29 17.218 -13.180 -0.426 1.00 0.00 C ATOM 0 H THR A 29 15.487 -11.353 -2.232 1.00 0.00 H new ATOM 0 HA THR A 29 14.648 -13.811 -0.892 1.00 0.00 H new ATOM 0 HB THR A 29 15.781 -12.538 0.999 1.00 0.00 H new ATOM 0 HG1 THR A 29 17.134 -10.721 0.132 1.00 0.00 H new ATOM 0 HG21 THR A 29 18.064 -12.884 0.194 1.00 0.00 H new ATOM 0 HG22 THR A 29 17.002 -14.236 -0.265 1.00 0.00 H new ATOM 0 HG23 THR A 29 17.462 -13.015 -1.475 1.00 0.00 H new ATOM 446 N GLU A 30 13.018 -12.612 0.736 1.00 0.00 N ATOM 447 CA GLU A 30 11.827 -12.056 1.335 1.00 0.00 C ATOM 448 C GLU A 30 12.165 -10.805 2.152 1.00 0.00 C ATOM 449 O GLU A 30 11.287 -10.095 2.639 1.00 0.00 O ATOM 450 CB GLU A 30 11.100 -13.103 2.172 1.00 0.00 C ATOM 451 CG GLU A 30 11.856 -13.594 3.381 1.00 0.00 C ATOM 452 CD GLU A 30 11.121 -14.687 4.090 1.00 0.00 C ATOM 453 OE1 GLU A 30 9.948 -14.491 4.467 1.00 0.00 O ATOM 454 OE2 GLU A 30 11.707 -15.757 4.310 1.00 0.00 O ATOM 0 H GLU A 30 13.389 -13.436 1.208 1.00 0.00 H new ATOM 0 HA GLU A 30 11.148 -11.752 0.538 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.149 -12.685 2.503 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.869 -13.957 1.536 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.837 -13.956 3.074 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.023 -12.764 4.067 1.00 0.00 H new ATOM 461 N GLU A 31 13.445 -10.541 2.297 1.00 0.00 N ATOM 462 CA GLU A 31 13.884 -9.357 2.981 1.00 0.00 C ATOM 463 C GLU A 31 13.919 -8.174 2.032 1.00 0.00 C ATOM 464 O GLU A 31 13.754 -7.026 2.458 1.00 0.00 O ATOM 465 CB GLU A 31 15.212 -9.587 3.689 1.00 0.00 C ATOM 466 CG GLU A 31 16.367 -9.978 2.794 1.00 0.00 C ATOM 467 CD GLU A 31 17.527 -10.461 3.603 1.00 0.00 C ATOM 468 OE1 GLU A 31 17.600 -11.671 3.870 1.00 0.00 O ATOM 469 OE2 GLU A 31 18.371 -9.637 4.026 1.00 0.00 O ATOM 0 H GLU A 31 14.197 -11.135 1.948 1.00 0.00 H new ATOM 0 HA GLU A 31 13.162 -9.117 3.761 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.481 -8.676 4.224 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.075 -10.367 4.438 1.00 0.00 H new ATOM 0 HG2 GLU A 31 16.049 -10.759 2.104 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.670 -9.123 2.190 1.00 0.00 H new ATOM 476 N ASP A 32 14.098 -8.450 0.741 1.00 0.00 N ATOM 477 CA ASP A 32 14.050 -7.390 -0.266 1.00 0.00 C ATOM 478 C ASP A 32 12.584 -7.011 -0.444 1.00 0.00 C ATOM 479 O ASP A 32 12.222 -5.835 -0.565 1.00 0.00 O ATOM 480 CB ASP A 32 14.677 -7.852 -1.595 1.00 0.00 C ATOM 481 CG ASP A 32 14.903 -6.705 -2.573 1.00 0.00 C ATOM 482 OD1 ASP A 32 15.974 -6.064 -2.520 1.00 0.00 O ATOM 483 OD2 ASP A 32 14.047 -6.416 -3.396 1.00 0.00 O ATOM 0 H ASP A 32 14.275 -9.384 0.371 1.00 0.00 H new ATOM 0 HA ASP A 32 14.631 -6.526 0.058 1.00 0.00 H new ATOM 0 HB2 ASP A 32 15.629 -8.342 -1.391 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.028 -8.596 -2.058 1.00 0.00 H new ATOM 488 N ASP A 33 11.764 -8.040 -0.380 1.00 0.00 N ATOM 489 CA ASP A 33 10.293 -7.969 -0.371 1.00 0.00 C ATOM 490 C ASP A 33 9.805 -7.057 0.759 1.00 0.00 C ATOM 491 O ASP A 33 9.138 -6.040 0.521 1.00 0.00 O ATOM 492 CB ASP A 33 9.782 -9.406 -0.159 1.00 0.00 C ATOM 493 CG ASP A 33 8.295 -9.572 0.106 1.00 0.00 C ATOM 494 OD1 ASP A 33 7.861 -9.430 1.267 1.00 0.00 O ATOM 495 OD2 ASP A 33 7.565 -9.988 -0.809 1.00 0.00 O ATOM 0 H ASP A 33 12.108 -8.999 -0.330 1.00 0.00 H new ATOM 0 HA ASP A 33 9.918 -7.554 -1.306 1.00 0.00 H new ATOM 0 HB2 ASP A 33 10.037 -9.991 -1.043 1.00 0.00 H new ATOM 0 HB3 ASP A 33 10.327 -9.840 0.679 1.00 0.00 H new ATOM 500 N ASN A 34 10.201 -7.394 1.977 1.00 0.00 N ATOM 501 CA ASN A 34 9.798 -6.668 3.168 1.00 0.00 C ATOM 502 C ASN A 34 10.258 -5.211 3.153 1.00 0.00 C ATOM 503 O ASN A 34 9.522 -4.326 3.582 1.00 0.00 O ATOM 504 CB ASN A 34 10.330 -7.373 4.405 1.00 0.00 C ATOM 505 CG ASN A 34 9.970 -6.691 5.710 1.00 0.00 C ATOM 506 OD1 ASN A 34 8.896 -6.098 5.867 1.00 0.00 O ATOM 507 ND2 ASN A 34 10.865 -6.758 6.647 1.00 0.00 N ATOM 0 H ASN A 34 10.816 -8.186 2.166 1.00 0.00 H new ATOM 0 HA ASN A 34 8.708 -6.656 3.187 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.945 -8.393 4.422 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.415 -7.443 4.332 1.00 0.00 H new ATOM 0 HD21 ASN A 34 10.694 -6.313 7.549 1.00 0.00 H new ATOM 0 HD22 ASN A 34 11.740 -7.256 6.482 1.00 0.00 H new ATOM 514 N LYS A 35 11.452 -4.928 2.630 1.00 0.00 N ATOM 515 CA LYS A 35 11.911 -3.546 2.639 1.00 0.00 C ATOM 516 C LYS A 35 11.118 -2.651 1.692 1.00 0.00 C ATOM 517 O LYS A 35 11.138 -1.419 1.841 1.00 0.00 O ATOM 518 CB LYS A 35 13.429 -3.372 2.492 1.00 0.00 C ATOM 519 CG LYS A 35 14.050 -3.894 1.221 1.00 0.00 C ATOM 520 CD LYS A 35 15.543 -3.611 1.227 1.00 0.00 C ATOM 521 CE LYS A 35 16.257 -4.209 0.032 1.00 0.00 C ATOM 522 NZ LYS A 35 15.799 -3.653 -1.254 1.00 0.00 N ATOM 0 H LYS A 35 12.091 -5.605 2.213 1.00 0.00 H new ATOM 0 HA LYS A 35 11.696 -3.198 3.649 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.659 -2.310 2.572 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.912 -3.867 3.335 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.874 -4.966 1.132 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.584 -3.422 0.356 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.704 -2.533 1.239 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.980 -4.009 2.143 1.00 0.00 H new ATOM 0 HE2 LYS A 35 17.329 -4.038 0.134 1.00 0.00 H new ATOM 0 HE3 LYS A 35 16.105 -5.288 0.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 15.654 -4.426 -1.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.903 -3.144 -1.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 16.516 -2.996 -1.623 1.00 0.00 H new ATOM 536 N LEU A 36 10.415 -3.249 0.724 1.00 0.00 N ATOM 537 CA LEU A 36 9.477 -2.475 -0.076 1.00 0.00 C ATOM 538 C LEU A 36 8.315 -2.128 0.810 1.00 0.00 C ATOM 539 O LEU A 36 7.976 -0.960 0.975 1.00 0.00 O ATOM 540 CB LEU A 36 8.966 -3.236 -1.312 1.00 0.00 C ATOM 541 CG LEU A 36 9.973 -3.493 -2.424 1.00 0.00 C ATOM 542 CD1 LEU A 36 9.324 -4.285 -3.552 1.00 0.00 C ATOM 543 CD2 LEU A 36 10.522 -2.174 -2.954 1.00 0.00 C ATOM 0 H LEU A 36 10.478 -4.238 0.484 1.00 0.00 H new ATOM 0 HA LEU A 36 9.991 -1.590 -0.450 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.573 -4.197 -0.981 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.130 -2.678 -1.733 1.00 0.00 H new ATOM 0 HG LEU A 36 10.799 -4.077 -2.018 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.056 -4.462 -4.340 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.967 -5.240 -3.167 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.484 -3.720 -3.956 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.241 -2.372 -3.749 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.704 -1.571 -3.347 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.015 -1.634 -2.146 1.00 0.00 H new ATOM 555 N VAL A 37 7.769 -3.164 1.445 1.00 0.00 N ATOM 556 CA VAL A 37 6.633 -3.042 2.364 1.00 0.00 C ATOM 557 C VAL A 37 6.890 -1.942 3.392 1.00 0.00 C ATOM 558 O VAL A 37 6.059 -1.083 3.595 1.00 0.00 O ATOM 559 CB VAL A 37 6.365 -4.379 3.132 1.00 0.00 C ATOM 560 CG1 VAL A 37 5.155 -4.245 4.039 1.00 0.00 C ATOM 561 CG2 VAL A 37 6.170 -5.544 2.178 1.00 0.00 C ATOM 0 H VAL A 37 8.104 -4.121 1.337 1.00 0.00 H new ATOM 0 HA VAL A 37 5.761 -2.797 1.757 1.00 0.00 H new ATOM 0 HB VAL A 37 7.246 -4.584 3.741 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.987 -5.186 4.563 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.331 -3.452 4.765 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.277 -4.001 3.441 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.986 -6.455 2.748 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.317 -5.344 1.529 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.066 -5.671 1.571 1.00 0.00 H new ATOM 571 N ARG A 38 8.074 -1.947 3.979 1.00 0.00 N ATOM 572 CA ARG A 38 8.409 -0.993 5.031 1.00 0.00 C ATOM 573 C ARG A 38 8.371 0.470 4.576 1.00 0.00 C ATOM 574 O ARG A 38 7.983 1.338 5.366 1.00 0.00 O ATOM 575 CB ARG A 38 9.750 -1.301 5.711 1.00 0.00 C ATOM 576 CG ARG A 38 9.856 -2.685 6.345 1.00 0.00 C ATOM 577 CD ARG A 38 8.666 -3.006 7.247 1.00 0.00 C ATOM 578 NE ARG A 38 8.443 -2.013 8.310 1.00 0.00 N ATOM 579 CZ ARG A 38 7.311 -1.917 9.034 1.00 0.00 C ATOM 580 NH1 ARG A 38 6.318 -2.813 8.866 1.00 0.00 N ATOM 581 NH2 ARG A 38 7.185 -0.955 9.941 1.00 0.00 N ATOM 0 H ARG A 38 8.822 -2.600 3.747 1.00 0.00 H new ATOM 0 HA ARG A 38 7.616 -1.121 5.767 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.546 -1.195 4.973 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.928 -0.551 6.482 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.926 -3.437 5.559 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.776 -2.746 6.927 1.00 0.00 H new ATOM 0 HD2 ARG A 38 7.767 -3.078 6.635 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.820 -3.984 7.703 1.00 0.00 H new ATOM 0 HE ARG A 38 9.195 -1.354 8.512 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.422 -3.568 8.188 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.463 -2.736 9.417 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.945 -0.290 10.088 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.329 -0.881 10.490 1.00 0.00 H new ATOM 595 N GLU A 39 8.738 0.761 3.314 1.00 0.00 N ATOM 596 CA GLU A 39 8.718 2.160 2.879 1.00 0.00 C ATOM 597 C GLU A 39 7.292 2.583 2.622 1.00 0.00 C ATOM 598 O GLU A 39 6.892 3.684 2.964 1.00 0.00 O ATOM 599 CB GLU A 39 9.610 2.472 1.639 1.00 0.00 C ATOM 600 CG GLU A 39 9.101 1.963 0.292 1.00 0.00 C ATOM 601 CD GLU A 39 9.908 2.502 -0.866 1.00 0.00 C ATOM 602 OE1 GLU A 39 11.054 2.061 -1.056 1.00 0.00 O ATOM 603 OE2 GLU A 39 9.411 3.381 -1.621 1.00 0.00 O ATOM 0 H GLU A 39 9.037 0.083 2.613 1.00 0.00 H new ATOM 0 HA GLU A 39 9.155 2.738 3.693 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.735 3.553 1.571 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.599 2.047 1.814 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.136 0.874 0.281 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.057 2.249 0.169 1.00 0.00 H new ATOM 610 N PHE A 40 6.517 1.671 2.076 1.00 0.00 N ATOM 611 CA PHE A 40 5.141 1.935 1.756 1.00 0.00 C ATOM 612 C PHE A 40 4.302 2.033 3.015 1.00 0.00 C ATOM 613 O PHE A 40 3.480 2.933 3.152 1.00 0.00 O ATOM 614 CB PHE A 40 4.604 0.896 0.788 1.00 0.00 C ATOM 615 CG PHE A 40 5.237 0.963 -0.584 1.00 0.00 C ATOM 616 CD1 PHE A 40 5.074 2.084 -1.382 1.00 0.00 C ATOM 617 CD2 PHE A 40 5.974 -0.099 -1.079 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.635 2.139 -2.645 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.538 -0.049 -2.338 1.00 0.00 C ATOM 620 CZ PHE A 40 6.368 1.071 -3.121 1.00 0.00 C ATOM 0 H PHE A 40 6.828 0.728 1.844 1.00 0.00 H new ATOM 0 HA PHE A 40 5.080 2.902 1.256 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.768 -0.097 1.206 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.526 1.027 0.689 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.503 2.924 -1.014 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.110 -0.981 -0.470 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.499 3.017 -3.258 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.111 -0.886 -2.708 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.808 1.114 -4.106 1.00 0.00 H new ATOM 630 N GLU A 41 4.566 1.149 3.951 1.00 0.00 N ATOM 631 CA GLU A 41 3.915 1.161 5.235 1.00 0.00 C ATOM 632 C GLU A 41 4.323 2.346 6.095 1.00 0.00 C ATOM 633 O GLU A 41 3.639 2.713 7.049 1.00 0.00 O ATOM 634 CB GLU A 41 4.057 -0.191 5.936 1.00 0.00 C ATOM 635 CG GLU A 41 3.031 -1.154 5.382 1.00 0.00 C ATOM 636 CD GLU A 41 1.696 -0.516 5.507 1.00 0.00 C ATOM 637 OE1 GLU A 41 1.278 -0.305 6.651 1.00 0.00 O ATOM 638 OE2 GLU A 41 1.078 -0.164 4.499 1.00 0.00 O ATOM 0 H GLU A 41 5.245 0.396 3.838 1.00 0.00 H new ATOM 0 HA GLU A 41 2.849 1.309 5.062 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.062 -0.587 5.787 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.918 -0.072 7.011 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.248 -1.385 4.339 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.057 -2.096 5.929 1.00 0.00 H new ATOM 645 N ARG A 42 5.419 2.974 5.731 1.00 0.00 N ATOM 646 CA ARG A 42 5.860 4.184 6.390 1.00 0.00 C ATOM 647 C ARG A 42 5.006 5.333 5.902 1.00 0.00 C ATOM 648 O ARG A 42 4.752 6.302 6.608 1.00 0.00 O ATOM 649 CB ARG A 42 7.312 4.451 6.031 1.00 0.00 C ATOM 650 CG ARG A 42 7.946 5.638 6.747 1.00 0.00 C ATOM 651 CD ARG A 42 7.816 5.512 8.253 1.00 0.00 C ATOM 652 NE ARG A 42 8.457 6.620 8.952 1.00 0.00 N ATOM 653 CZ ARG A 42 8.023 7.168 10.086 1.00 0.00 C ATOM 654 NH1 ARG A 42 6.871 6.783 10.623 1.00 0.00 N ATOM 655 NH2 ARG A 42 8.727 8.122 10.662 1.00 0.00 N ATOM 0 H ARG A 42 6.027 2.663 4.974 1.00 0.00 H new ATOM 0 HA ARG A 42 5.768 4.079 7.471 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.896 3.558 6.254 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.380 4.616 4.956 1.00 0.00 H new ATOM 0 HG2 ARG A 42 9.000 5.707 6.476 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.470 6.561 6.415 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.761 5.475 8.524 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.262 4.572 8.578 1.00 0.00 H new ATOM 0 HE ARG A 42 9.306 7.006 8.539 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.311 6.063 10.167 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.546 7.208 11.492 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.600 8.438 10.239 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.399 8.545 11.530 1.00 0.00 H new ATOM 669 N LEU A 43 4.584 5.203 4.688 1.00 0.00 N ATOM 670 CA LEU A 43 3.788 6.213 4.032 1.00 0.00 C ATOM 671 C LEU A 43 2.318 6.114 4.457 1.00 0.00 C ATOM 672 O LEU A 43 1.688 7.117 4.755 1.00 0.00 O ATOM 673 CB LEU A 43 3.886 6.065 2.517 1.00 0.00 C ATOM 674 CG LEU A 43 5.285 5.978 1.916 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.196 5.641 0.443 1.00 0.00 C ATOM 676 CD2 LEU A 43 6.037 7.284 2.111 1.00 0.00 C ATOM 0 H LEU A 43 4.779 4.387 4.108 1.00 0.00 H new ATOM 0 HA LEU A 43 4.176 7.188 4.328 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.338 5.168 2.229 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.374 6.912 2.061 1.00 0.00 H new ATOM 0 HG LEU A 43 5.833 5.188 2.429 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.200 5.581 0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.693 4.682 0.319 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.632 6.417 -0.074 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.032 7.199 1.675 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.494 8.093 1.622 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.125 7.498 3.176 1.00 0.00 H new ATOM 688 N THR A 44 1.789 4.906 4.476 1.00 0.00 N ATOM 689 CA THR A 44 0.389 4.658 4.813 1.00 0.00 C ATOM 690 C THR A 44 0.112 4.897 6.272 1.00 0.00 C ATOM 691 O THR A 44 -0.973 5.384 6.638 1.00 0.00 O ATOM 692 CB THR A 44 0.037 3.205 4.503 1.00 0.00 C ATOM 693 OG1 THR A 44 0.994 2.374 5.127 1.00 0.00 O ATOM 694 CG2 THR A 44 0.061 2.981 3.038 1.00 0.00 C ATOM 0 H THR A 44 2.316 4.060 4.258 1.00 0.00 H new ATOM 0 HA THR A 44 -0.212 5.347 4.220 1.00 0.00 H new ATOM 0 HB THR A 44 -0.962 2.976 4.874 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.125 1.565 4.589 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.191 1.942 2.825 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.665 3.637 2.558 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.057 3.199 2.653 1.00 0.00 H new ATOM 702 N GLU A 45 1.105 4.528 7.103 1.00 0.00 N ATOM 703 CA GLU A 45 1.000 4.517 8.532 1.00 0.00 C ATOM 704 C GLU A 45 -0.083 3.491 8.907 1.00 0.00 C ATOM 705 O GLU A 45 -0.625 3.485 10.015 1.00 0.00 O ATOM 706 CB GLU A 45 0.686 5.925 9.075 1.00 0.00 C ATOM 707 CG GLU A 45 0.877 6.051 10.566 1.00 0.00 C ATOM 708 CD GLU A 45 0.636 7.441 11.074 1.00 0.00 C ATOM 709 OE1 GLU A 45 1.548 8.288 10.969 1.00 0.00 O ATOM 710 OE2 GLU A 45 -0.466 7.716 11.601 1.00 0.00 O ATOM 0 H GLU A 45 2.019 4.225 6.766 1.00 0.00 H new ATOM 0 HA GLU A 45 1.947 4.228 8.987 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.325 6.651 8.572 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.344 6.181 8.826 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.200 5.363 11.072 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.892 5.747 10.823 1.00 0.00 H new ATOM 717 N HIS A 46 -0.316 2.553 7.995 1.00 0.00 N ATOM 718 CA HIS A 46 -1.369 1.614 8.156 1.00 0.00 C ATOM 719 C HIS A 46 -0.944 0.489 9.138 1.00 0.00 C ATOM 720 O HIS A 46 0.081 -0.110 9.006 1.00 0.00 O ATOM 721 CB HIS A 46 -1.877 1.073 6.781 1.00 0.00 C ATOM 722 CG HIS A 46 -3.164 0.318 6.906 1.00 0.00 C ATOM 723 ND1 HIS A 46 -3.260 -0.908 7.498 1.00 0.00 N ATOM 724 CD2 HIS A 46 -4.429 0.730 6.702 1.00 0.00 C ATOM 725 CE1 HIS A 46 -4.546 -1.179 7.684 1.00 0.00 C ATOM 726 NE2 HIS A 46 -5.304 -0.225 7.202 1.00 0.00 N ATOM 0 H HIS A 46 0.226 2.440 7.138 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.224 2.121 8.603 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -2.014 1.907 6.093 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -1.118 0.423 6.346 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.717 1.655 6.226 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.919 -2.069 8.169 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.323 -0.191 7.195 1.00 0.00 H new ATOM 734 N PRO A 47 -1.753 0.220 10.130 1.00 0.00 N ATOM 735 CA PRO A 47 -1.446 -0.740 11.190 1.00 0.00 C ATOM 736 C PRO A 47 -1.210 -2.129 10.686 1.00 0.00 C ATOM 737 O PRO A 47 -0.210 -2.765 10.992 1.00 0.00 O ATOM 738 CB PRO A 47 -2.703 -0.727 12.038 1.00 0.00 C ATOM 739 CG PRO A 47 -3.736 -0.017 11.267 1.00 0.00 C ATOM 740 CD PRO A 47 -3.036 0.842 10.317 1.00 0.00 C ATOM 0 HA PRO A 47 -0.529 -0.466 11.712 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -3.024 -1.743 12.268 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.521 -0.228 12.990 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.383 -0.723 10.746 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.373 0.573 11.926 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.580 0.915 9.375 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.931 1.855 10.704 1.00 0.00 H new ATOM 748 N ASP A 48 -2.082 -2.539 9.844 1.00 0.00 N ATOM 749 CA ASP A 48 -2.120 -3.872 9.376 1.00 0.00 C ATOM 750 C ASP A 48 -1.669 -3.870 7.966 1.00 0.00 C ATOM 751 O ASP A 48 -1.946 -4.775 7.238 1.00 0.00 O ATOM 752 CB ASP A 48 -3.554 -4.439 9.435 1.00 0.00 C ATOM 753 CG ASP A 48 -4.139 -4.500 10.822 1.00 0.00 C ATOM 754 OD1 ASP A 48 -4.714 -3.497 11.276 1.00 0.00 O ATOM 755 OD2 ASP A 48 -4.048 -5.563 11.486 1.00 0.00 O ATOM 0 H ASP A 48 -2.809 -1.941 9.451 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.478 -4.492 10.002 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.201 -3.826 8.807 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.554 -5.442 9.009 1.00 0.00 H new ATOM 760 N GLY A 49 -0.973 -2.811 7.589 1.00 0.00 N ATOM 761 CA GLY A 49 -0.529 -2.649 6.186 1.00 0.00 C ATOM 762 C GLY A 49 0.334 -3.743 5.725 1.00 0.00 C ATOM 763 O GLY A 49 0.113 -4.320 4.655 1.00 0.00 O ATOM 0 H GLY A 49 -0.699 -2.052 8.213 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.404 -2.587 5.539 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.007 -1.705 6.088 1.00 0.00 H new ATOM 767 N SER A 50 1.275 -4.062 6.517 1.00 0.00 N ATOM 768 CA SER A 50 2.136 -5.176 6.216 1.00 0.00 C ATOM 769 C SER A 50 1.313 -6.475 6.229 1.00 0.00 C ATOM 770 O SER A 50 1.416 -7.317 5.329 1.00 0.00 O ATOM 771 CB SER A 50 3.286 -5.210 7.209 1.00 0.00 C ATOM 772 OG SER A 50 2.803 -5.052 8.526 1.00 0.00 O ATOM 0 H SER A 50 1.487 -3.577 7.389 1.00 0.00 H new ATOM 0 HA SER A 50 2.566 -5.069 5.220 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.822 -6.155 7.122 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.998 -4.417 6.978 1.00 0.00 H new ATOM 0 HG SER A 50 3.554 -5.078 9.155 1.00 0.00 H new ATOM 778 N ASP A 51 0.413 -6.558 7.187 1.00 0.00 N ATOM 779 CA ASP A 51 -0.454 -7.711 7.377 1.00 0.00 C ATOM 780 C ASP A 51 -1.417 -7.888 6.191 1.00 0.00 C ATOM 781 O ASP A 51 -1.897 -8.951 5.966 1.00 0.00 O ATOM 782 CB ASP A 51 -1.253 -7.585 8.687 1.00 0.00 C ATOM 783 CG ASP A 51 -0.381 -7.345 9.905 1.00 0.00 C ATOM 784 OD1 ASP A 51 0.088 -8.316 10.533 1.00 0.00 O ATOM 785 OD2 ASP A 51 -0.148 -6.165 10.259 1.00 0.00 O ATOM 0 H ASP A 51 0.258 -5.815 7.869 1.00 0.00 H new ATOM 0 HA ASP A 51 0.184 -8.593 7.436 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.965 -6.765 8.592 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.833 -8.495 8.839 1.00 0.00 H new ATOM 790 N LEU A 52 -1.669 -6.819 5.433 1.00 0.00 N ATOM 791 CA LEU A 52 -2.542 -6.859 4.232 1.00 0.00 C ATOM 792 C LEU A 52 -1.891 -7.668 3.148 1.00 0.00 C ATOM 793 O LEU A 52 -2.555 -8.376 2.382 1.00 0.00 O ATOM 794 CB LEU A 52 -2.793 -5.422 3.697 1.00 0.00 C ATOM 795 CG LEU A 52 -3.448 -4.434 4.667 1.00 0.00 C ATOM 796 CD1 LEU A 52 -3.640 -3.096 4.012 1.00 0.00 C ATOM 797 CD2 LEU A 52 -4.770 -4.956 5.188 1.00 0.00 C ATOM 0 H LEU A 52 -1.279 -5.896 5.625 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.491 -7.314 4.516 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.837 -5.005 3.379 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.420 -5.494 2.809 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.776 -4.318 5.517 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.107 -2.409 4.718 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.672 -2.699 3.705 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.281 -3.208 3.137 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.204 -4.228 5.873 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.451 -5.120 4.353 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.608 -5.897 5.714 1.00 0.00 H new ATOM 809 N ILE A 53 -0.597 -7.587 3.112 1.00 0.00 N ATOM 810 CA ILE A 53 0.180 -8.229 2.074 1.00 0.00 C ATOM 811 C ILE A 53 0.486 -9.657 2.480 1.00 0.00 C ATOM 812 O ILE A 53 0.408 -10.592 1.675 1.00 0.00 O ATOM 813 CB ILE A 53 1.499 -7.448 1.876 1.00 0.00 C ATOM 814 CG1 ILE A 53 1.173 -5.995 1.522 1.00 0.00 C ATOM 815 CG2 ILE A 53 2.397 -8.098 0.808 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.371 -5.097 1.469 1.00 0.00 C ATOM 0 H ILE A 53 -0.041 -7.076 3.797 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.384 -8.237 1.141 1.00 0.00 H new ATOM 0 HB ILE A 53 2.064 -7.473 2.808 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.671 -5.971 0.555 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.469 -5.602 2.256 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.313 -7.517 0.701 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.645 -9.115 1.111 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.869 -8.123 -0.145 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.056 -4.085 1.212 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.862 -5.088 2.442 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.067 -5.463 0.714 1.00 0.00 H new ATOM 828 N TYR A 54 0.796 -9.811 3.736 1.00 0.00 N ATOM 829 CA TYR A 54 1.199 -11.080 4.281 1.00 0.00 C ATOM 830 C TYR A 54 0.020 -11.964 4.702 1.00 0.00 C ATOM 831 O TYR A 54 0.143 -13.184 4.752 1.00 0.00 O ATOM 832 CB TYR A 54 2.167 -10.849 5.433 1.00 0.00 C ATOM 833 CG TYR A 54 3.516 -10.307 4.989 1.00 0.00 C ATOM 834 CD1 TYR A 54 4.508 -11.156 4.540 1.00 0.00 C ATOM 835 CD2 TYR A 54 3.787 -8.951 5.005 1.00 0.00 C ATOM 836 CE1 TYR A 54 5.727 -10.666 4.125 1.00 0.00 C ATOM 837 CE2 TYR A 54 4.999 -8.453 4.593 1.00 0.00 C ATOM 838 CZ TYR A 54 5.968 -9.312 4.156 1.00 0.00 C ATOM 839 OH TYR A 54 7.196 -8.811 3.750 1.00 0.00 O ATOM 0 H TYR A 54 0.776 -9.053 4.418 1.00 0.00 H new ATOM 0 HA TYR A 54 1.701 -11.635 3.489 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.718 -10.151 6.140 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.318 -11.789 5.964 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.326 -12.220 4.514 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.026 -8.266 5.350 1.00 0.00 H new ATOM 0 HE1 TYR A 54 6.492 -11.344 3.776 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.185 -7.389 4.614 1.00 0.00 H new ATOM 0 HH TYR A 54 7.328 -9.000 2.797 1.00 0.00 H new ATOM 849 N TYR A 55 -1.099 -11.365 4.997 1.00 0.00 N ATOM 850 CA TYR A 55 -2.282 -12.087 5.391 1.00 0.00 C ATOM 851 C TYR A 55 -3.459 -11.563 4.602 1.00 0.00 C ATOM 852 O TYR A 55 -3.900 -10.435 4.819 1.00 0.00 O ATOM 853 CB TYR A 55 -2.555 -11.949 6.900 1.00 0.00 C ATOM 854 CG TYR A 55 -1.472 -12.524 7.778 1.00 0.00 C ATOM 855 CD1 TYR A 55 -1.341 -13.893 7.930 1.00 0.00 C ATOM 856 CD2 TYR A 55 -0.577 -11.702 8.445 1.00 0.00 C ATOM 857 CE1 TYR A 55 -0.353 -14.428 8.722 1.00 0.00 C ATOM 858 CE2 TYR A 55 0.416 -12.234 9.241 1.00 0.00 C ATOM 859 CZ TYR A 55 0.520 -13.599 9.373 1.00 0.00 C ATOM 860 OH TYR A 55 1.508 -14.139 10.165 1.00 0.00 O ATOM 0 H TYR A 55 -1.220 -10.352 4.971 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.129 -13.146 5.183 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.680 -10.893 7.140 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.498 -12.443 7.134 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.026 -14.552 7.418 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.658 -10.630 8.340 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.266 -15.499 8.830 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.107 -11.583 9.757 1.00 0.00 H new ATOM 0 HH TYR A 55 2.045 -13.418 10.556 1.00 0.00 H new ATOM 870 N PRO A 56 -3.922 -12.341 3.621 1.00 0.00 N ATOM 871 CA PRO A 56 -5.063 -11.992 2.783 1.00 0.00 C ATOM 872 C PRO A 56 -6.266 -11.451 3.556 1.00 0.00 C ATOM 873 O PRO A 56 -6.542 -11.821 4.703 1.00 0.00 O ATOM 874 CB PRO A 56 -5.410 -13.288 2.079 1.00 0.00 C ATOM 875 CG PRO A 56 -4.129 -14.032 2.007 1.00 0.00 C ATOM 876 CD PRO A 56 -3.325 -13.624 3.212 1.00 0.00 C ATOM 0 HA PRO A 56 -4.806 -11.177 2.106 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -6.163 -13.849 2.632 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -5.816 -13.102 1.085 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.306 -15.108 2.005 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.595 -13.795 1.087 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.392 -14.367 4.007 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.268 -13.513 2.968 1.00 0.00 H new ATOM 884 N ARG A 57 -6.967 -10.580 2.905 1.00 0.00 N ATOM 885 CA ARG A 57 -8.080 -9.870 3.474 1.00 0.00 C ATOM 886 C ARG A 57 -9.315 -10.273 2.770 1.00 0.00 C ATOM 887 O ARG A 57 -10.103 -9.428 2.353 1.00 0.00 O ATOM 888 CB ARG A 57 -7.943 -8.406 3.314 1.00 0.00 C ATOM 889 CG ARG A 57 -6.572 -7.854 3.672 1.00 0.00 C ATOM 890 CD ARG A 57 -6.155 -8.239 5.095 1.00 0.00 C ATOM 891 NE ARG A 57 -6.943 -7.595 6.162 1.00 0.00 N ATOM 892 CZ ARG A 57 -6.589 -7.636 7.461 1.00 0.00 C ATOM 893 NH1 ARG A 57 -5.574 -8.417 7.843 1.00 0.00 N ATOM 894 NH2 ARG A 57 -7.251 -6.919 8.368 1.00 0.00 N ATOM 0 H ARG A 57 -6.780 -10.332 1.934 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.114 -10.112 4.536 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.166 -8.145 2.280 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.691 -7.914 3.936 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -5.833 -8.229 2.963 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.582 -6.768 3.578 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.237 -9.320 5.203 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -5.104 -7.984 5.233 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.795 -7.096 5.905 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -5.073 -8.977 7.153 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -5.300 -8.453 8.825 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.034 -6.332 8.081 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -6.975 -6.957 9.349 1.00 0.00 H new ATOM 908 N ASP A 58 -9.457 -11.546 2.580 1.00 0.00 N ATOM 909 CA ASP A 58 -10.675 -12.193 1.978 1.00 0.00 C ATOM 910 C ASP A 58 -11.989 -11.799 2.760 1.00 0.00 C ATOM 911 O ASP A 58 -13.089 -12.251 2.469 1.00 0.00 O ATOM 912 CB ASP A 58 -10.464 -13.715 1.953 1.00 0.00 C ATOM 913 CG ASP A 58 -11.559 -14.509 1.283 1.00 0.00 C ATOM 914 OD1 ASP A 58 -11.658 -14.491 0.038 1.00 0.00 O ATOM 915 OD2 ASP A 58 -12.306 -15.212 1.987 1.00 0.00 O ATOM 0 H ASP A 58 -8.733 -12.219 2.832 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.808 -11.832 0.958 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.523 -13.926 1.445 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.359 -14.067 2.979 1.00 0.00 H new ATOM 920 N ASP A 59 -11.810 -10.944 3.752 1.00 0.00 N ATOM 921 CA ASP A 59 -12.845 -10.275 4.516 1.00 0.00 C ATOM 922 C ASP A 59 -13.550 -9.305 3.568 1.00 0.00 C ATOM 923 O ASP A 59 -14.749 -9.034 3.680 1.00 0.00 O ATOM 924 CB ASP A 59 -12.174 -9.443 5.626 1.00 0.00 C ATOM 925 CG ASP A 59 -11.280 -10.249 6.542 1.00 0.00 C ATOM 926 OD1 ASP A 59 -10.205 -10.712 6.101 1.00 0.00 O ATOM 927 OD2 ASP A 59 -11.623 -10.417 7.717 1.00 0.00 O ATOM 0 H ASP A 59 -10.875 -10.682 4.065 1.00 0.00 H new ATOM 0 HA ASP A 59 -13.540 -10.995 4.947 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -11.585 -8.650 5.166 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -12.948 -8.960 6.223 1.00 0.00 H new ATOM 932 N ARG A 60 -12.767 -8.762 2.659 1.00 0.00 N ATOM 933 CA ARG A 60 -13.222 -7.890 1.608 1.00 0.00 C ATOM 934 C ARG A 60 -12.745 -8.512 0.307 1.00 0.00 C ATOM 935 O ARG A 60 -12.432 -9.708 0.280 1.00 0.00 O ATOM 936 CB ARG A 60 -12.623 -6.476 1.761 1.00 0.00 C ATOM 937 CG ARG A 60 -11.099 -6.409 1.695 1.00 0.00 C ATOM 938 CD ARG A 60 -10.635 -5.001 1.389 1.00 0.00 C ATOM 939 NE ARG A 60 -10.990 -4.035 2.435 1.00 0.00 N ATOM 940 CZ ARG A 60 -11.816 -2.991 2.274 1.00 0.00 C ATOM 941 NH1 ARG A 60 -12.377 -2.752 1.082 1.00 0.00 N ATOM 942 NH2 ARG A 60 -12.054 -2.173 3.304 1.00 0.00 N ATOM 0 H ARG A 60 -11.760 -8.925 2.635 1.00 0.00 H new ATOM 0 HA ARG A 60 -14.306 -7.785 1.637 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -13.034 -5.837 0.979 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -12.949 -6.061 2.715 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -10.675 -6.738 2.643 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -10.733 -7.092 0.928 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.553 -5.003 1.257 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.071 -4.679 0.443 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.576 -4.168 3.358 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -12.177 -3.365 0.292 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -13.005 -1.957 0.964 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.608 -2.345 4.205 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -12.681 -1.377 3.189 1.00 0.00 H new ATOM 956 N GLU A 61 -12.701 -7.752 -0.762 1.00 0.00 N ATOM 957 CA GLU A 61 -12.118 -8.260 -1.963 1.00 0.00 C ATOM 958 C GLU A 61 -10.621 -8.336 -1.734 1.00 0.00 C ATOM 959 O GLU A 61 -9.968 -7.316 -1.457 1.00 0.00 O ATOM 960 CB GLU A 61 -12.389 -7.356 -3.143 1.00 0.00 C ATOM 961 CG GLU A 61 -12.042 -7.995 -4.466 1.00 0.00 C ATOM 962 CD GLU A 61 -12.916 -9.176 -4.784 1.00 0.00 C ATOM 963 OE1 GLU A 61 -14.078 -8.983 -5.196 1.00 0.00 O ATOM 964 OE2 GLU A 61 -12.460 -10.322 -4.633 1.00 0.00 O ATOM 0 H GLU A 61 -13.057 -6.798 -0.818 1.00 0.00 H new ATOM 0 HA GLU A 61 -12.549 -9.235 -2.190 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -13.443 -7.077 -3.146 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.816 -6.436 -3.028 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.137 -7.254 -5.259 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.000 -8.313 -4.449 1.00 0.00 H new ATOM 971 N ASP A 62 -10.088 -9.503 -1.818 1.00 0.00 N ATOM 972 CA ASP A 62 -8.683 -9.678 -1.580 1.00 0.00 C ATOM 973 C ASP A 62 -7.974 -9.607 -2.877 1.00 0.00 C ATOM 974 O ASP A 62 -7.945 -10.570 -3.650 1.00 0.00 O ATOM 975 CB ASP A 62 -8.346 -10.982 -0.844 1.00 0.00 C ATOM 976 CG ASP A 62 -6.846 -11.112 -0.563 1.00 0.00 C ATOM 977 OD1 ASP A 62 -6.325 -10.405 0.327 1.00 0.00 O ATOM 978 OD2 ASP A 62 -6.153 -11.907 -1.244 1.00 0.00 O ATOM 0 H ASP A 62 -10.596 -10.357 -2.049 1.00 0.00 H new ATOM 0 HA ASP A 62 -8.353 -8.878 -0.917 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.895 -11.020 0.097 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.678 -11.831 -1.441 1.00 0.00 H new ATOM 983 N SER A 63 -7.524 -8.451 -3.171 1.00 0.00 N ATOM 984 CA SER A 63 -6.798 -8.195 -4.345 1.00 0.00 C ATOM 985 C SER A 63 -5.831 -7.084 -4.009 1.00 0.00 C ATOM 986 O SER A 63 -6.021 -6.410 -2.975 1.00 0.00 O ATOM 987 CB SER A 63 -7.784 -7.739 -5.433 1.00 0.00 C ATOM 988 OG SER A 63 -8.445 -6.542 -5.041 1.00 0.00 O ATOM 0 H SER A 63 -7.656 -7.630 -2.580 1.00 0.00 H new ATOM 0 HA SER A 63 -6.263 -9.073 -4.708 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.250 -7.576 -6.369 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.519 -8.523 -5.617 1.00 0.00 H new ATOM 0 HG SER A 63 -9.176 -6.353 -5.665 1.00 0.00 H new ATOM 994 N PRO A 64 -4.778 -6.865 -4.819 1.00 0.00 N ATOM 995 CA PRO A 64 -3.905 -5.705 -4.666 1.00 0.00 C ATOM 996 C PRO A 64 -4.738 -4.415 -4.650 1.00 0.00 C ATOM 997 O PRO A 64 -4.433 -3.473 -3.924 1.00 0.00 O ATOM 998 CB PRO A 64 -3.017 -5.784 -5.928 1.00 0.00 C ATOM 999 CG PRO A 64 -2.934 -7.232 -6.203 1.00 0.00 C ATOM 1000 CD PRO A 64 -4.301 -7.770 -5.888 1.00 0.00 C ATOM 0 HA PRO A 64 -3.330 -5.699 -3.740 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.459 -5.242 -6.764 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.032 -5.352 -5.753 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.666 -7.421 -7.243 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -2.172 -7.707 -5.586 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.955 -7.745 -6.760 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.259 -8.806 -5.551 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.838 -4.435 -5.409 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.760 -3.319 -5.501 1.00 0.00 C ATOM 1010 C GLU A 65 -7.474 -3.112 -4.155 1.00 0.00 C ATOM 1011 O GLU A 65 -7.585 -1.991 -3.661 1.00 0.00 O ATOM 1012 CB GLU A 65 -7.808 -3.570 -6.601 1.00 0.00 C ATOM 1013 CG GLU A 65 -7.235 -3.964 -7.962 1.00 0.00 C ATOM 1014 CD GLU A 65 -8.308 -4.130 -9.024 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -9.195 -4.999 -8.872 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -8.302 -3.373 -10.016 1.00 0.00 O ATOM 0 H GLU A 65 -6.108 -5.237 -5.978 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.189 -2.425 -5.753 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.483 -4.358 -6.266 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.407 -2.668 -6.723 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.524 -3.204 -8.286 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.681 -4.897 -7.862 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.940 -4.205 -3.569 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.642 -4.140 -2.306 1.00 0.00 C ATOM 1025 C GLY A 66 -7.736 -3.779 -1.153 1.00 0.00 C ATOM 1026 O GLY A 66 -8.175 -3.148 -0.207 1.00 0.00 O ATOM 0 H GLY A 66 -7.842 -5.145 -3.952 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.443 -3.404 -2.378 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -9.111 -5.103 -2.106 1.00 0.00 H new ATOM 1030 N ILE A 67 -6.473 -4.186 -1.227 1.00 0.00 N ATOM 1031 CA ILE A 67 -5.473 -3.798 -0.223 1.00 0.00 C ATOM 1032 C ILE A 67 -5.338 -2.273 -0.207 1.00 0.00 C ATOM 1033 O ILE A 67 -5.439 -1.642 0.829 1.00 0.00 O ATOM 1034 CB ILE A 67 -4.096 -4.478 -0.508 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -4.202 -5.993 -0.269 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -2.972 -3.862 0.338 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -2.943 -6.761 -0.590 1.00 0.00 C ATOM 0 H ILE A 67 -6.112 -4.785 -1.970 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.805 -4.138 0.758 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.839 -4.303 -1.553 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.464 -6.167 0.775 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.019 -6.388 -0.873 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.030 -4.362 0.111 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.884 -2.800 0.108 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.203 -3.986 1.396 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.103 -7.821 -0.394 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.689 -6.621 -1.641 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.126 -6.396 0.032 1.00 0.00 H new ATOM 1049 N VAL A 68 -5.138 -1.717 -1.376 1.00 0.00 N ATOM 1050 CA VAL A 68 -5.102 -0.274 -1.606 1.00 0.00 C ATOM 1051 C VAL A 68 -6.385 0.400 -1.118 1.00 0.00 C ATOM 1052 O VAL A 68 -6.352 1.498 -0.531 1.00 0.00 O ATOM 1053 CB VAL A 68 -4.887 0.016 -3.110 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -4.960 1.505 -3.423 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.554 -0.516 -3.507 1.00 0.00 C ATOM 0 H VAL A 68 -4.990 -2.262 -2.225 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.269 0.138 -1.036 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.684 -0.471 -3.673 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.803 1.661 -4.490 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.940 1.889 -3.141 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.189 2.033 -2.862 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.385 -0.320 -4.566 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.777 -0.027 -2.919 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.523 -1.591 -3.327 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.508 -0.249 -1.337 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.754 0.299 -0.886 1.00 0.00 C ATOM 1067 C LYS A 69 -8.833 0.248 0.636 1.00 0.00 C ATOM 1068 O LYS A 69 -9.328 1.168 1.260 1.00 0.00 O ATOM 1069 CB LYS A 69 -9.958 -0.404 -1.484 1.00 0.00 C ATOM 1070 CG LYS A 69 -11.194 0.422 -1.228 1.00 0.00 C ATOM 1071 CD LYS A 69 -12.403 -0.053 -1.944 1.00 0.00 C ATOM 1072 CE LYS A 69 -13.546 0.881 -1.623 1.00 0.00 C ATOM 1073 NZ LYS A 69 -14.753 0.574 -2.409 1.00 0.00 N ATOM 0 H LYS A 69 -7.577 -1.145 -1.819 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.782 1.334 -1.227 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.816 -0.545 -2.555 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.071 -1.395 -1.044 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.398 0.427 -0.157 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.995 1.453 -1.519 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.223 -0.076 -3.019 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.648 -1.071 -1.640 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -13.780 0.814 -0.560 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -13.239 1.909 -1.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -15.511 1.240 -2.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -14.539 0.663 -3.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -15.063 -0.397 -2.204 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.328 -0.824 1.213 1.00 0.00 N ATOM 1088 CA GLU A 70 -8.262 -0.990 2.657 1.00 0.00 C ATOM 1089 C GLU A 70 -7.436 0.164 3.240 1.00 0.00 C ATOM 1090 O GLU A 70 -7.778 0.729 4.290 1.00 0.00 O ATOM 1091 CB GLU A 70 -7.613 -2.351 2.988 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.638 -2.740 4.451 1.00 0.00 C ATOM 1093 CD GLU A 70 -9.034 -2.922 4.976 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -9.638 -3.975 4.740 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -9.553 -2.022 5.644 1.00 0.00 O ATOM 0 H GLU A 70 -7.948 -1.613 0.691 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.261 -0.973 3.092 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.121 -3.126 2.414 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.576 -2.332 2.651 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.079 -3.666 4.587 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.131 -1.973 5.036 1.00 0.00 H new ATOM 1102 N ILE A 71 -6.377 0.539 2.504 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.520 1.653 2.877 1.00 0.00 C ATOM 1104 C ILE A 71 -6.317 2.945 2.874 1.00 0.00 C ATOM 1105 O ILE A 71 -6.274 3.698 3.855 1.00 0.00 O ATOM 1106 CB ILE A 71 -4.313 1.856 1.898 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -3.468 0.599 1.712 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.435 3.018 2.326 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -2.876 0.023 2.943 1.00 0.00 C ATOM 0 H ILE A 71 -6.100 0.074 1.639 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.134 1.412 3.868 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.759 2.087 0.931 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -4.087 -0.164 1.240 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.660 0.829 1.018 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.609 3.128 1.623 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.025 3.934 2.339 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.040 2.827 3.324 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.298 -0.865 2.688 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.222 0.759 3.411 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.672 -0.249 3.637 1.00 0.00 H new ATOM 1121 N LYS A 72 -7.042 3.218 1.779 1.00 0.00 N ATOM 1122 CA LYS A 72 -7.771 4.420 1.696 1.00 0.00 C ATOM 1123 C LYS A 72 -8.870 4.452 2.684 1.00 0.00 C ATOM 1124 O LYS A 72 -8.854 5.291 3.491 1.00 0.00 O ATOM 1125 CB LYS A 72 -8.261 4.754 0.290 1.00 0.00 C ATOM 1126 CG LYS A 72 -9.374 3.903 -0.304 1.00 0.00 C ATOM 1127 CD LYS A 72 -9.577 4.215 -1.783 1.00 0.00 C ATOM 1128 CE LYS A 72 -9.937 5.672 -1.954 1.00 0.00 C ATOM 1129 NZ LYS A 72 -10.132 6.069 -3.355 1.00 0.00 N ATOM 0 H LYS A 72 -7.117 2.608 0.965 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.065 5.212 1.947 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.599 5.790 0.293 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.405 4.700 -0.383 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -9.133 2.847 -0.182 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.302 4.083 0.239 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.668 3.988 -2.340 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.367 3.585 -2.192 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.850 5.880 -1.396 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.149 6.286 -1.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.022 7.099 -3.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.426 5.594 -3.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.087 5.795 -3.664 1.00 0.00 H new ATOM 1143 N GLU A 73 -9.737 3.448 2.698 1.00 0.00 N ATOM 1144 CA GLU A 73 -10.919 3.454 3.554 1.00 0.00 C ATOM 1145 C GLU A 73 -10.563 3.638 5.026 1.00 0.00 C ATOM 1146 O GLU A 73 -11.322 4.233 5.785 1.00 0.00 O ATOM 1147 CB GLU A 73 -11.753 2.190 3.357 1.00 0.00 C ATOM 1148 CG GLU A 73 -12.330 2.023 1.957 1.00 0.00 C ATOM 1149 CD GLU A 73 -13.224 3.164 1.535 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -14.323 3.334 2.118 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -12.875 3.888 0.596 1.00 0.00 O ATOM 0 H GLU A 73 -9.643 2.612 2.121 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.519 4.313 3.253 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.134 1.323 3.587 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.573 2.196 4.075 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.511 1.930 1.244 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.897 1.093 1.915 1.00 0.00 H new ATOM 1158 N TRP A 74 -9.403 3.154 5.419 1.00 0.00 N ATOM 1159 CA TRP A 74 -8.962 3.325 6.774 1.00 0.00 C ATOM 1160 C TRP A 74 -8.501 4.777 6.998 1.00 0.00 C ATOM 1161 O TRP A 74 -9.006 5.477 7.881 1.00 0.00 O ATOM 1162 CB TRP A 74 -7.850 2.340 7.074 1.00 0.00 C ATOM 1163 CG TRP A 74 -7.393 2.334 8.490 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -7.999 1.722 9.540 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -6.216 2.945 9.000 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -7.264 1.913 10.678 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -6.163 2.658 10.372 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -5.199 3.704 8.425 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -5.131 3.101 11.177 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -4.174 4.145 9.218 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -4.142 3.840 10.580 1.00 0.00 C ATOM 0 H TRP A 74 -8.757 2.643 4.818 1.00 0.00 H new ATOM 0 HA TRP A 74 -9.788 3.127 7.457 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -8.189 1.338 6.811 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -6.999 2.567 6.432 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -8.924 1.167 9.485 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -7.501 1.557 11.604 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.219 3.940 7.371 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -5.104 2.875 12.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.381 4.736 8.785 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -3.317 4.195 11.179 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.582 5.240 6.160 1.00 0.00 N ATOM 1183 CA ARG A 75 -7.015 6.584 6.285 1.00 0.00 C ATOM 1184 C ARG A 75 -8.072 7.641 6.003 1.00 0.00 C ATOM 1185 O ARG A 75 -8.119 8.677 6.652 1.00 0.00 O ATOM 1186 CB ARG A 75 -5.844 6.765 5.330 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.719 5.781 5.559 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.584 6.008 4.598 1.00 0.00 C ATOM 1189 NE ARG A 75 -4.052 6.137 3.208 1.00 0.00 N ATOM 1190 CZ ARG A 75 -3.513 6.966 2.299 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -2.504 7.760 2.635 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -4.001 7.026 1.071 1.00 0.00 N ATOM 0 H ARG A 75 -7.208 4.702 5.378 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.659 6.703 7.308 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.202 6.663 4.306 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.456 7.778 5.432 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.355 5.874 6.582 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.095 4.764 5.446 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.043 6.910 4.883 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.880 5.179 4.667 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.839 5.558 2.916 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.136 7.742 3.586 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.097 8.388 1.942 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.793 6.440 0.808 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.585 7.659 0.387 1.00 0.00 H new ATOM 1206 N ALA A 76 -8.930 7.326 5.067 1.00 0.00 N ATOM 1207 CA ALA A 76 -10.016 8.166 4.616 1.00 0.00 C ATOM 1208 C ALA A 76 -11.030 8.393 5.726 1.00 0.00 C ATOM 1209 O ALA A 76 -11.592 9.473 5.842 1.00 0.00 O ATOM 1210 CB ALA A 76 -10.695 7.543 3.363 1.00 0.00 C ATOM 0 H ALA A 76 -8.891 6.434 4.573 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.605 9.137 4.340 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.511 8.186 3.034 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.962 7.448 2.562 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -11.088 6.558 3.614 1.00 0.00 H new ATOM 1216 N ALA A 77 -11.208 7.395 6.583 1.00 0.00 N ATOM 1217 CA ALA A 77 -12.186 7.479 7.654 1.00 0.00 C ATOM 1218 C ALA A 77 -11.583 8.224 8.808 1.00 0.00 C ATOM 1219 O ALA A 77 -12.260 8.922 9.552 1.00 0.00 O ATOM 1220 CB ALA A 77 -12.626 6.090 8.092 1.00 0.00 C ATOM 0 H ALA A 77 -10.686 6.519 6.555 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.067 8.011 7.295 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.358 6.177 8.895 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.074 5.567 7.247 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.761 5.530 8.448 1.00 0.00 H new ATOM 1226 N ASN A 78 -10.289 8.102 8.906 1.00 0.00 N ATOM 1227 CA ASN A 78 -9.530 8.681 9.969 1.00 0.00 C ATOM 1228 C ASN A 78 -9.026 10.081 9.637 1.00 0.00 C ATOM 1229 O ASN A 78 -8.286 10.666 10.418 1.00 0.00 O ATOM 1230 CB ASN A 78 -8.362 7.766 10.338 1.00 0.00 C ATOM 1231 CG ASN A 78 -8.752 6.593 11.232 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -8.718 6.701 12.461 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -9.111 5.476 10.644 1.00 0.00 N ATOM 0 H ASN A 78 -9.724 7.585 8.232 1.00 0.00 H new ATOM 0 HA ASN A 78 -10.198 8.782 10.824 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.914 7.379 9.423 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.597 8.356 10.843 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -9.372 4.665 11.205 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -9.129 5.419 9.626 1.00 0.00 H new ATOM 1240 N GLY A 79 -9.423 10.606 8.481 1.00 0.00 N ATOM 1241 CA GLY A 79 -9.016 11.952 8.069 1.00 0.00 C ATOM 1242 C GLY A 79 -7.509 12.092 7.919 1.00 0.00 C ATOM 1243 O GLY A 79 -6.924 13.095 8.323 1.00 0.00 O ATOM 0 H GLY A 79 -10.024 10.124 7.813 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.495 12.197 7.121 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.372 12.675 8.803 1.00 0.00 H new ATOM 1247 N LYS A 80 -6.895 11.074 7.370 1.00 0.00 N ATOM 1248 CA LYS A 80 -5.484 11.018 7.161 1.00 0.00 C ATOM 1249 C LYS A 80 -5.170 11.347 5.697 1.00 0.00 C ATOM 1250 O LYS A 80 -6.091 11.680 4.935 1.00 0.00 O ATOM 1251 CB LYS A 80 -5.027 9.620 7.576 1.00 0.00 C ATOM 1252 CG LYS A 80 -5.250 9.418 9.070 1.00 0.00 C ATOM 1253 CD LYS A 80 -5.053 7.998 9.564 1.00 0.00 C ATOM 1254 CE LYS A 80 -3.604 7.557 9.665 1.00 0.00 C ATOM 1255 NZ LYS A 80 -2.848 8.352 10.650 1.00 0.00 N ATOM 0 H LYS A 80 -7.386 10.239 7.049 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.945 11.753 7.758 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.578 8.867 7.013 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.972 9.488 7.337 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.570 10.073 9.615 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -6.264 9.734 9.316 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.517 7.902 10.545 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -5.580 7.318 8.894 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.565 6.504 9.943 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.130 7.646 8.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -1.971 7.852 10.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.614 9.279 10.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.425 8.486 11.505 1.00 0.00 H new ATOM 1269 N SER A 81 -3.906 11.293 5.326 1.00 0.00 N ATOM 1270 CA SER A 81 -3.431 11.572 3.988 1.00 0.00 C ATOM 1271 C SER A 81 -4.134 10.696 2.914 1.00 0.00 C ATOM 1272 O SER A 81 -4.788 9.696 3.245 1.00 0.00 O ATOM 1273 CB SER A 81 -1.956 11.297 4.010 1.00 0.00 C ATOM 1274 OG SER A 81 -1.318 12.051 5.035 1.00 0.00 O ATOM 0 H SER A 81 -3.156 11.045 5.972 1.00 0.00 H new ATOM 0 HA SER A 81 -3.653 12.604 3.715 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.782 10.233 4.172 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.520 11.547 3.043 1.00 0.00 H new ATOM 0 HG SER A 81 -0.357 11.857 5.034 1.00 0.00 H new ATOM 1280 N GLY A 82 -3.963 11.035 1.639 1.00 0.00 N ATOM 1281 CA GLY A 82 -4.682 10.304 0.600 1.00 0.00 C ATOM 1282 C GLY A 82 -3.783 9.883 -0.532 1.00 0.00 C ATOM 1283 O GLY A 82 -2.620 9.525 -0.294 1.00 0.00 O ATOM 0 H GLY A 82 -3.355 11.784 1.308 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.149 9.421 1.037 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.485 10.929 0.209 1.00 0.00 H new ATOM 1287 N PHE A 83 -4.322 9.821 -1.730 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.554 9.600 -2.906 1.00 0.00 C ATOM 1289 C PHE A 83 -3.670 10.833 -3.772 1.00 0.00 C ATOM 1290 O PHE A 83 -4.574 11.655 -3.569 1.00 0.00 O ATOM 1291 CB PHE A 83 -4.059 8.390 -3.700 1.00 0.00 C ATOM 1292 CG PHE A 83 -4.087 7.090 -2.937 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.910 6.539 -2.489 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -5.282 6.409 -2.675 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -2.904 5.357 -1.801 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -5.268 5.218 -1.984 1.00 0.00 C ATOM 1297 CZ PHE A 83 -4.078 4.692 -1.547 1.00 0.00 C ATOM 0 H PHE A 83 -5.322 9.926 -1.902 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.522 9.402 -2.618 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -5.066 8.605 -4.058 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.428 8.263 -4.580 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.977 7.047 -2.683 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -6.220 6.820 -3.017 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.968 4.943 -1.455 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -6.193 4.698 -1.786 1.00 0.00 H new ATOM 0 HZ PHE A 83 -4.065 3.758 -1.005 1.00 0.00 H new ATOM 1307 N LYS A 84 -2.779 10.973 -4.699 1.00 0.00 N ATOM 1308 CA LYS A 84 -2.811 12.061 -5.633 1.00 0.00 C ATOM 1309 C LYS A 84 -3.872 11.774 -6.663 1.00 0.00 C ATOM 1310 O LYS A 84 -3.914 10.687 -7.244 1.00 0.00 O ATOM 1311 CB LYS A 84 -1.459 12.196 -6.304 1.00 0.00 C ATOM 1312 CG LYS A 84 -1.345 13.316 -7.342 1.00 0.00 C ATOM 1313 CD LYS A 84 0.013 13.292 -8.045 1.00 0.00 C ATOM 1314 CE LYS A 84 1.159 13.454 -7.058 1.00 0.00 C ATOM 1315 NZ LYS A 84 2.488 13.336 -7.696 1.00 0.00 N ATOM 0 H LYS A 84 -1.998 10.331 -4.834 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.039 12.994 -5.117 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.706 12.361 -5.534 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.218 11.250 -6.788 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.140 13.212 -8.080 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.487 14.281 -6.855 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.127 12.352 -8.584 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.054 14.091 -8.785 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.079 14.427 -6.573 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.068 12.700 -6.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.230 13.505 -6.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.599 12.381 -8.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.571 14.039 -8.458 1.00 0.00 H new ATOM 1329 N GLN A 85 -4.716 12.711 -6.880 1.00 0.00 N ATOM 1330 CA GLN A 85 -5.778 12.546 -7.820 1.00 0.00 C ATOM 1331 C GLN A 85 -5.473 13.226 -9.147 1.00 0.00 C ATOM 1332 O GLN A 85 -5.915 14.339 -9.419 1.00 0.00 O ATOM 1333 CB GLN A 85 -7.185 12.908 -7.247 1.00 0.00 C ATOM 1334 CG GLN A 85 -7.396 14.331 -6.687 1.00 0.00 C ATOM 1335 CD GLN A 85 -6.566 14.653 -5.451 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -5.430 15.261 -5.651 1.00 0.00 O flip ATOM 1337 NE2 GLN A 85 -6.976 14.397 -4.317 1.00 0.00 N flip ATOM 0 H GLN A 85 -4.697 13.618 -6.415 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.836 11.477 -8.026 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.918 12.748 -8.037 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.414 12.199 -6.451 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -7.158 15.054 -7.467 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.451 14.460 -6.444 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -7.869 13.920 -4.193 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -6.422 14.662 -3.503 1.00 0.00 H new ATOM 1346 N GLY A 86 -4.624 12.592 -9.912 1.00 0.00 N ATOM 1347 CA GLY A 86 -4.313 13.061 -11.223 1.00 0.00 C ATOM 1348 C GLY A 86 -4.311 11.915 -12.190 1.00 0.00 C ATOM 1349 O GLY A 86 -5.360 11.595 -12.738 1.00 0.00 O ATOM 1350 OXT GLY A 86 -3.260 11.289 -12.380 1.00 0.00 O ATOM 0 H GLY A 86 -4.134 11.740 -9.639 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -5.043 13.808 -11.534 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.338 13.549 -11.222 1.00 0.00 H new