USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=21 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 4 LYS NZ :NH3+ -158:sc= -0.149 (180deg=-0.634) USER MOD Set 1.2: A 10 TYR OH : rot 180:sc= 0.00154 USER MOD Set 2.1: A 5 HIS : no HE2:sc= 0.323 K(o=0.62,f=-6.9!) USER MOD Set 2.2: A 6 SER OG : rot -63:sc= 0.298 USER MOD Single : A 8 SER OG : rot -17:sc= 0.381 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.388 USER MOD Single : A 20 LYS NZ :NH3+ -110:sc= -0.0236 (180deg=-0.344) USER MOD Single : A 21 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0421) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.113 USER MOD Single : A 34 ASN : amide:sc= -0.423 K(o=-0.42,f=-1.3) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -90:sc= 1.22 USER MOD Single : A 46 HIS : no HE2:sc= -2.08 K(o=-2.1,f=-8!) USER MOD Single : A 50 SER OG : rot -102:sc= 1.35 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -166:sc= 1.81 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -166:sc= 1.26 (180deg=1.07) USER MOD Single : A 78 ASN : amide:sc= -0.24 K(o=-0.24,f=-2.1!) USER MOD Single : A 80 LYS NZ :NH3+ -160:sc= -1.18 (180deg=-1.9!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -170:sc= 1.25 (180deg=1.1) USER MOD Single : A 85 GLN :FLIP amide:sc= -1.34! C(o=-2.4!,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 2 11.066 9.192 -11.373 1.00 0.00 N ATOM 2 CA GLU A 2 9.997 9.685 -10.517 1.00 0.00 C ATOM 3 C GLU A 2 10.275 9.327 -9.080 1.00 0.00 C ATOM 4 O GLU A 2 10.619 8.183 -8.770 1.00 0.00 O ATOM 5 CB GLU A 2 8.638 9.107 -10.938 1.00 0.00 C ATOM 6 CG GLU A 2 7.484 9.540 -10.041 1.00 0.00 C ATOM 7 CD GLU A 2 6.170 8.920 -10.420 1.00 0.00 C ATOM 8 OE1 GLU A 2 5.843 7.834 -9.917 1.00 0.00 O ATOM 9 OE2 GLU A 2 5.430 9.520 -11.215 1.00 0.00 O ATOM 0 HA GLU A 2 9.958 10.769 -10.621 1.00 0.00 H new ATOM 0 HB2 GLU A 2 8.425 9.412 -11.962 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.700 8.019 -10.936 1.00 0.00 H new ATOM 0 HG2 GLU A 2 7.717 9.277 -9.009 1.00 0.00 H new ATOM 0 HG3 GLU A 2 7.390 10.625 -10.080 1.00 0.00 H new ATOM 16 N LEU A 3 10.163 10.305 -8.227 1.00 0.00 N ATOM 17 CA LEU A 3 10.266 10.129 -6.802 1.00 0.00 C ATOM 18 C LEU A 3 9.074 10.803 -6.159 1.00 0.00 C ATOM 19 O LEU A 3 8.431 11.667 -6.774 1.00 0.00 O ATOM 20 CB LEU A 3 11.578 10.697 -6.234 1.00 0.00 C ATOM 21 CG LEU A 3 12.879 10.002 -6.656 1.00 0.00 C ATOM 22 CD1 LEU A 3 14.074 10.702 -6.039 1.00 0.00 C ATOM 23 CD2 LEU A 3 12.870 8.537 -6.246 1.00 0.00 C ATOM 0 H LEU A 3 9.993 11.271 -8.507 1.00 0.00 H new ATOM 0 HA LEU A 3 10.274 9.062 -6.579 1.00 0.00 H new ATOM 0 HB2 LEU A 3 11.646 11.746 -6.522 1.00 0.00 H new ATOM 0 HB3 LEU A 3 11.516 10.669 -5.146 1.00 0.00 H new ATOM 0 HG LEU A 3 12.954 10.057 -7.742 1.00 0.00 H new ATOM 0 HD11 LEU A 3 14.990 10.198 -6.347 1.00 0.00 H new ATOM 0 HD12 LEU A 3 14.101 11.739 -6.373 1.00 0.00 H new ATOM 0 HD13 LEU A 3 13.992 10.673 -4.953 1.00 0.00 H new ATOM 0 HD21 LEU A 3 13.803 8.067 -6.556 1.00 0.00 H new ATOM 0 HD22 LEU A 3 12.769 8.463 -5.163 1.00 0.00 H new ATOM 0 HD23 LEU A 3 12.032 8.030 -6.724 1.00 0.00 H new ATOM 35 N LYS A 4 8.785 10.434 -4.959 1.00 0.00 N ATOM 36 CA LYS A 4 7.631 10.937 -4.245 1.00 0.00 C ATOM 37 C LYS A 4 8.061 11.641 -2.985 1.00 0.00 C ATOM 38 O LYS A 4 9.141 11.371 -2.462 1.00 0.00 O ATOM 39 CB LYS A 4 6.722 9.750 -3.896 1.00 0.00 C ATOM 40 CG LYS A 4 7.479 8.617 -3.200 1.00 0.00 C ATOM 41 CD LYS A 4 7.360 8.642 -1.684 1.00 0.00 C ATOM 42 CE LYS A 4 8.336 7.659 -1.049 1.00 0.00 C ATOM 43 NZ LYS A 4 8.281 6.283 -1.640 1.00 0.00 N ATOM 0 H LYS A 4 9.342 9.766 -4.427 1.00 0.00 H new ATOM 0 HA LYS A 4 7.094 11.651 -4.869 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.914 10.093 -3.250 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.262 9.369 -4.807 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.105 7.662 -3.569 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.533 8.674 -3.474 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.559 9.648 -1.316 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.341 8.391 -1.390 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.349 8.049 -1.153 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.128 7.594 0.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.664 5.597 -0.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.294 6.039 -1.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.847 6.257 -2.512 1.00 0.00 H new ATOM 57 N HIS A 5 7.238 12.538 -2.506 1.00 0.00 N ATOM 58 CA HIS A 5 7.511 13.174 -1.237 1.00 0.00 C ATOM 59 C HIS A 5 6.809 12.383 -0.113 1.00 0.00 C ATOM 60 O HIS A 5 7.300 12.314 1.008 1.00 0.00 O ATOM 61 CB HIS A 5 7.083 14.676 -1.234 1.00 0.00 C ATOM 62 CG HIS A 5 5.597 14.911 -1.266 1.00 0.00 C ATOM 63 ND1 HIS A 5 4.812 14.690 -2.363 1.00 0.00 N ATOM 64 CD2 HIS A 5 4.750 15.266 -0.268 1.00 0.00 C ATOM 65 CE1 HIS A 5 3.547 14.883 -2.017 1.00 0.00 C ATOM 66 NE2 HIS A 5 3.447 15.245 -0.749 1.00 0.00 N ATOM 0 H HIS A 5 6.381 12.844 -2.967 1.00 0.00 H new ATOM 0 HA HIS A 5 8.587 13.163 -1.064 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.493 15.154 -0.344 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.533 15.169 -2.096 1.00 0.00 H new ATOM 0 HD1 HIS A 5 5.143 14.422 -3.290 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.042 15.524 0.739 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.707 14.760 -2.684 1.00 0.00 H new ATOM 74 N SER A 6 5.674 11.753 -0.436 1.00 0.00 N ATOM 75 CA SER A 6 4.903 11.016 0.554 1.00 0.00 C ATOM 76 C SER A 6 3.953 10.054 -0.150 1.00 0.00 C ATOM 77 O SER A 6 4.048 9.855 -1.373 1.00 0.00 O ATOM 78 CB SER A 6 4.065 12.003 1.368 1.00 0.00 C ATOM 79 OG SER A 6 3.039 12.575 0.559 1.00 0.00 O ATOM 0 H SER A 6 5.275 11.742 -1.375 1.00 0.00 H new ATOM 0 HA SER A 6 5.584 10.463 1.201 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.620 11.493 2.222 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.705 12.791 1.765 1.00 0.00 H new ATOM 0 HG SER A 6 3.445 13.091 -0.168 1.00 0.00 H new ATOM 85 N ILE A 7 3.030 9.492 0.629 1.00 0.00 N ATOM 86 CA ILE A 7 1.962 8.638 0.139 1.00 0.00 C ATOM 87 C ILE A 7 1.044 9.425 -0.812 1.00 0.00 C ATOM 88 O ILE A 7 0.542 8.886 -1.780 1.00 0.00 O ATOM 89 CB ILE A 7 1.101 8.081 1.326 1.00 0.00 C ATOM 90 CG1 ILE A 7 -0.015 7.164 0.803 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.517 9.217 2.179 1.00 0.00 C ATOM 92 CD1 ILE A 7 -0.982 6.689 1.864 1.00 0.00 C ATOM 0 H ILE A 7 3.008 9.624 1.640 1.00 0.00 H new ATOM 0 HA ILE A 7 2.421 7.805 -0.393 1.00 0.00 H new ATOM 0 HB ILE A 7 1.760 7.493 1.966 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.573 7.695 0.032 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.439 6.295 0.327 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.074 8.795 2.992 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.329 9.815 2.593 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.119 9.848 1.558 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.736 6.048 1.408 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.440 6.127 2.625 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.468 7.549 2.325 1.00 0.00 H new ATOM 104 N SER A 8 0.905 10.722 -0.560 1.00 0.00 N ATOM 105 CA SER A 8 0.006 11.540 -1.326 1.00 0.00 C ATOM 106 C SER A 8 0.611 11.903 -2.672 1.00 0.00 C ATOM 107 O SER A 8 -0.063 12.486 -3.524 1.00 0.00 O ATOM 108 CB SER A 8 -0.437 12.790 -0.528 1.00 0.00 C ATOM 109 OG SER A 8 -1.297 13.621 -1.297 1.00 0.00 O ATOM 0 H SER A 8 1.410 11.219 0.173 1.00 0.00 H new ATOM 0 HA SER A 8 -0.894 10.958 -1.525 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.949 12.479 0.383 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.442 13.358 -0.222 1.00 0.00 H new ATOM 0 HG SER A 8 -1.217 13.386 -2.245 1.00 0.00 H new ATOM 115 N ASP A 9 1.886 11.585 -2.871 1.00 0.00 N ATOM 116 CA ASP A 9 2.471 11.807 -4.189 1.00 0.00 C ATOM 117 C ASP A 9 2.193 10.579 -5.041 1.00 0.00 C ATOM 118 O ASP A 9 2.233 10.624 -6.265 1.00 0.00 O ATOM 119 CB ASP A 9 3.964 12.050 -4.121 1.00 0.00 C ATOM 120 CG ASP A 9 4.458 12.984 -5.223 1.00 0.00 C ATOM 121 OD1 ASP A 9 4.066 12.848 -6.394 1.00 0.00 O ATOM 122 OD2 ASP A 9 5.236 13.912 -4.894 1.00 0.00 O ATOM 0 H ASP A 9 2.512 11.189 -2.170 1.00 0.00 H new ATOM 0 HA ASP A 9 2.022 12.700 -4.622 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.215 12.476 -3.149 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.487 11.097 -4.196 1.00 0.00 H new ATOM 127 N TYR A 10 1.891 9.482 -4.377 1.00 0.00 N ATOM 128 CA TYR A 10 1.522 8.279 -5.057 1.00 0.00 C ATOM 129 C TYR A 10 0.092 8.376 -5.466 1.00 0.00 C ATOM 130 O TYR A 10 -0.761 8.772 -4.678 1.00 0.00 O ATOM 131 CB TYR A 10 1.676 7.034 -4.170 1.00 0.00 C ATOM 132 CG TYR A 10 3.058 6.447 -4.080 1.00 0.00 C ATOM 133 CD1 TYR A 10 3.989 6.905 -3.165 1.00 0.00 C ATOM 134 CD2 TYR A 10 3.424 5.389 -4.907 1.00 0.00 C ATOM 135 CE1 TYR A 10 5.220 6.334 -3.085 1.00 0.00 C ATOM 136 CE2 TYR A 10 4.675 4.819 -4.825 1.00 0.00 C ATOM 137 CZ TYR A 10 5.567 5.301 -3.906 1.00 0.00 C ATOM 138 OH TYR A 10 6.825 4.747 -3.791 1.00 0.00 O ATOM 0 H TYR A 10 1.897 9.409 -3.360 1.00 0.00 H new ATOM 0 HA TYR A 10 2.185 8.173 -5.916 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.346 7.289 -3.163 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.000 6.263 -4.542 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.735 7.724 -2.508 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.714 5.008 -5.626 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.933 6.703 -2.362 1.00 0.00 H new ATOM 0 HE2 TYR A 10 4.948 4.003 -5.477 1.00 0.00 H new ATOM 0 HH TYR A 10 6.923 4.021 -4.442 1.00 0.00 H new ATOM 148 N THR A 11 -0.172 8.055 -6.673 1.00 0.00 N ATOM 149 CA THR A 11 -1.510 7.956 -7.123 1.00 0.00 C ATOM 150 C THR A 11 -2.026 6.621 -6.670 1.00 0.00 C ATOM 151 O THR A 11 -1.225 5.731 -6.358 1.00 0.00 O ATOM 152 CB THR A 11 -1.586 8.066 -8.660 1.00 0.00 C ATOM 153 OG1 THR A 11 -0.679 7.133 -9.265 1.00 0.00 O ATOM 154 CG2 THR A 11 -1.248 9.467 -9.123 1.00 0.00 C ATOM 0 H THR A 11 0.533 7.852 -7.382 1.00 0.00 H new ATOM 0 HA THR A 11 -2.110 8.769 -6.714 1.00 0.00 H new ATOM 0 HB THR A 11 -2.607 7.836 -8.963 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.735 7.208 -10.241 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.309 9.516 -10.210 1.00 0.00 H new ATOM 0 HG22 THR A 11 -1.954 10.174 -8.688 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.237 9.721 -8.805 1.00 0.00 H new ATOM 162 N GLU A 12 -3.320 6.465 -6.617 1.00 0.00 N ATOM 163 CA GLU A 12 -3.915 5.204 -6.231 1.00 0.00 C ATOM 164 C GLU A 12 -3.428 4.107 -7.196 1.00 0.00 C ATOM 165 O GLU A 12 -3.130 2.990 -6.788 1.00 0.00 O ATOM 166 CB GLU A 12 -5.425 5.337 -6.273 1.00 0.00 C ATOM 167 CG GLU A 12 -6.187 4.111 -5.849 1.00 0.00 C ATOM 168 CD GLU A 12 -7.647 4.292 -6.080 1.00 0.00 C ATOM 169 OE1 GLU A 12 -8.097 4.097 -7.214 1.00 0.00 O ATOM 170 OE2 GLU A 12 -8.376 4.668 -5.147 1.00 0.00 O ATOM 0 H GLU A 12 -3.993 7.199 -6.837 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.620 4.932 -5.218 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.719 6.168 -5.632 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.723 5.597 -7.289 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.830 3.245 -6.406 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.003 3.909 -4.794 1.00 0.00 H new ATOM 177 N ALA A 13 -3.267 4.492 -8.456 1.00 0.00 N ATOM 178 CA ALA A 13 -2.780 3.602 -9.502 1.00 0.00 C ATOM 179 C ALA A 13 -1.317 3.189 -9.258 1.00 0.00 C ATOM 180 O ALA A 13 -0.969 2.017 -9.354 1.00 0.00 O ATOM 181 CB ALA A 13 -2.930 4.263 -10.858 1.00 0.00 C ATOM 0 H ALA A 13 -3.472 5.436 -8.783 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.383 2.694 -9.481 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.563 3.590 -11.633 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.981 4.487 -11.039 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.353 5.188 -10.878 1.00 0.00 H new ATOM 187 N GLU A 14 -0.463 4.144 -8.920 1.00 0.00 N ATOM 188 CA GLU A 14 0.934 3.823 -8.635 1.00 0.00 C ATOM 189 C GLU A 14 1.097 3.152 -7.292 1.00 0.00 C ATOM 190 O GLU A 14 2.052 2.416 -7.066 1.00 0.00 O ATOM 191 CB GLU A 14 1.840 5.033 -8.753 1.00 0.00 C ATOM 192 CG GLU A 14 2.063 5.472 -10.183 1.00 0.00 C ATOM 193 CD GLU A 14 2.677 4.376 -11.014 1.00 0.00 C ATOM 194 OE1 GLU A 14 3.886 4.119 -10.878 1.00 0.00 O ATOM 195 OE2 GLU A 14 1.968 3.765 -11.834 1.00 0.00 O ATOM 0 H GLU A 14 -0.703 5.132 -8.836 1.00 0.00 H new ATOM 0 HA GLU A 14 1.245 3.111 -9.400 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.407 5.859 -8.189 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.803 4.804 -8.295 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.113 5.773 -10.623 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.713 6.347 -10.198 1.00 0.00 H new ATOM 202 N PHE A 15 0.174 3.389 -6.399 1.00 0.00 N ATOM 203 CA PHE A 15 0.219 2.725 -5.133 1.00 0.00 C ATOM 204 C PHE A 15 -0.239 1.301 -5.330 1.00 0.00 C ATOM 205 O PHE A 15 0.211 0.417 -4.687 1.00 0.00 O ATOM 206 CB PHE A 15 -0.588 3.445 -4.075 1.00 0.00 C ATOM 207 CG PHE A 15 -0.164 3.064 -2.698 1.00 0.00 C ATOM 208 CD1 PHE A 15 0.950 3.660 -2.130 1.00 0.00 C ATOM 209 CD2 PHE A 15 -0.855 2.121 -1.971 1.00 0.00 C ATOM 210 CE1 PHE A 15 1.363 3.318 -0.868 1.00 0.00 C ATOM 211 CE2 PHE A 15 -0.447 1.779 -0.706 1.00 0.00 C ATOM 212 CZ PHE A 15 0.663 2.375 -0.157 1.00 0.00 C ATOM 0 H PHE A 15 -0.609 4.031 -6.526 1.00 0.00 H new ATOM 0 HA PHE A 15 1.243 2.729 -4.760 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.477 4.522 -4.204 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.645 3.215 -4.206 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.500 4.403 -2.688 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.725 1.646 -2.400 1.00 0.00 H new ATOM 0 HE1 PHE A 15 2.234 3.788 -0.436 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -0.998 1.041 -0.142 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.986 2.101 0.837 1.00 0.00 H new ATOM 222 N LEU A 16 -1.138 1.103 -6.237 1.00 0.00 N ATOM 223 CA LEU A 16 -1.513 -0.232 -6.679 1.00 0.00 C ATOM 224 C LEU A 16 -0.281 -0.956 -7.181 1.00 0.00 C ATOM 225 O LEU A 16 -0.081 -2.150 -6.913 1.00 0.00 O ATOM 226 CB LEU A 16 -2.628 -0.086 -7.744 1.00 0.00 C ATOM 227 CG LEU A 16 -2.916 -1.229 -8.725 1.00 0.00 C ATOM 228 CD1 LEU A 16 -1.932 -1.299 -9.849 1.00 0.00 C ATOM 229 CD2 LEU A 16 -3.037 -2.537 -8.032 1.00 0.00 C ATOM 0 H LEU A 16 -1.645 1.855 -6.704 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.912 -0.838 -5.866 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.556 0.125 -7.213 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.393 0.797 -8.338 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.882 -0.999 -9.174 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.191 -2.128 -10.508 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.957 -0.366 -10.413 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.931 -1.454 -9.447 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.241 -3.319 -8.764 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.106 -2.761 -7.512 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.853 -2.493 -7.311 1.00 0.00 H new ATOM 241 N GLU A 17 0.527 -0.254 -7.886 1.00 0.00 N ATOM 242 CA GLU A 17 1.757 -0.809 -8.321 1.00 0.00 C ATOM 243 C GLU A 17 2.687 -1.211 -7.132 1.00 0.00 C ATOM 244 O GLU A 17 3.541 -2.064 -7.302 1.00 0.00 O ATOM 245 CB GLU A 17 2.489 0.097 -9.296 1.00 0.00 C ATOM 246 CG GLU A 17 2.074 -0.084 -10.731 1.00 0.00 C ATOM 247 CD GLU A 17 2.431 -1.463 -11.231 1.00 0.00 C ATOM 248 OE1 GLU A 17 3.660 -1.772 -11.363 1.00 0.00 O ATOM 249 OE2 GLU A 17 1.526 -2.257 -11.517 1.00 0.00 O ATOM 0 H GLU A 17 0.359 0.710 -8.176 1.00 0.00 H new ATOM 0 HA GLU A 17 1.495 -1.723 -8.854 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.320 1.135 -9.008 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.560 -0.087 -9.213 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.999 0.073 -10.824 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.561 0.668 -11.351 1.00 0.00 H new ATOM 256 N PHE A 18 2.478 -0.612 -5.922 1.00 0.00 N ATOM 257 CA PHE A 18 3.292 -0.935 -4.719 1.00 0.00 C ATOM 258 C PHE A 18 3.128 -2.390 -4.417 1.00 0.00 C ATOM 259 O PHE A 18 4.086 -3.155 -4.356 1.00 0.00 O ATOM 260 CB PHE A 18 2.881 -0.050 -3.433 1.00 0.00 C ATOM 261 CG PHE A 18 2.102 -0.749 -2.236 1.00 0.00 C ATOM 262 CD1 PHE A 18 0.712 -0.876 -2.224 1.00 0.00 C ATOM 263 CD2 PHE A 18 2.782 -1.252 -1.147 1.00 0.00 C ATOM 264 CE1 PHE A 18 0.042 -1.486 -1.165 1.00 0.00 C ATOM 265 CE2 PHE A 18 2.114 -1.859 -0.088 1.00 0.00 C ATOM 266 CZ PHE A 18 0.749 -1.973 -0.102 1.00 0.00 C ATOM 0 H PHE A 18 1.757 0.091 -5.759 1.00 0.00 H new ATOM 0 HA PHE A 18 4.333 -0.697 -4.936 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.795 0.381 -3.024 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.267 0.779 -3.786 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.141 -0.492 -3.056 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.859 -1.173 -1.115 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.034 -1.574 -1.185 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.676 -2.243 0.751 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.235 -2.445 0.722 1.00 0.00 H new ATOM 276 N VAL A 19 1.896 -2.765 -4.310 1.00 0.00 N ATOM 277 CA VAL A 19 1.521 -4.071 -3.908 1.00 0.00 C ATOM 278 C VAL A 19 1.776 -5.073 -5.009 1.00 0.00 C ATOM 279 O VAL A 19 2.165 -6.210 -4.749 1.00 0.00 O ATOM 280 CB VAL A 19 0.058 -4.090 -3.399 1.00 0.00 C ATOM 281 CG1 VAL A 19 -0.925 -3.705 -4.463 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.290 -5.388 -2.724 1.00 0.00 C ATOM 0 H VAL A 19 1.105 -2.152 -4.506 1.00 0.00 H new ATOM 0 HA VAL A 19 2.148 -4.373 -3.069 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.016 -3.318 -2.633 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.935 -3.735 -4.053 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.705 -2.697 -4.814 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.851 -4.403 -5.297 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.325 -5.355 -2.384 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.166 -6.210 -3.429 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.368 -5.541 -1.869 1.00 0.00 H new ATOM 292 N LYS A 20 1.589 -4.642 -6.242 1.00 0.00 N ATOM 293 CA LYS A 20 1.890 -5.487 -7.357 1.00 0.00 C ATOM 294 C LYS A 20 3.361 -5.771 -7.414 1.00 0.00 C ATOM 295 O LYS A 20 3.761 -6.884 -7.649 1.00 0.00 O ATOM 296 CB LYS A 20 1.415 -4.906 -8.657 1.00 0.00 C ATOM 297 CG LYS A 20 -0.042 -5.119 -8.846 1.00 0.00 C ATOM 298 CD LYS A 20 -0.531 -4.500 -10.101 1.00 0.00 C ATOM 299 CE LYS A 20 -1.960 -4.890 -10.391 1.00 0.00 C ATOM 300 NZ LYS A 20 -2.109 -6.298 -10.812 1.00 0.00 N ATOM 0 H LYS A 20 1.233 -3.718 -6.485 1.00 0.00 H new ATOM 0 HA LYS A 20 1.351 -6.423 -7.209 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.634 -3.839 -8.682 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.961 -5.363 -9.482 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.254 -6.188 -8.861 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.584 -4.699 -7.999 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.457 -3.415 -10.025 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.106 -4.806 -10.931 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.564 -4.719 -9.500 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.355 -4.241 -11.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.365 -6.334 -11.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.211 -6.801 -10.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.856 -6.752 -10.248 1.00 0.00 H new ATOM 314 N LYS A 21 4.158 -4.753 -7.154 1.00 0.00 N ATOM 315 CA LYS A 21 5.605 -4.874 -7.130 1.00 0.00 C ATOM 316 C LYS A 21 6.006 -5.816 -6.007 1.00 0.00 C ATOM 317 O LYS A 21 6.858 -6.632 -6.181 1.00 0.00 O ATOM 318 CB LYS A 21 6.251 -3.494 -6.921 1.00 0.00 C ATOM 319 CG LYS A 21 7.768 -3.472 -7.004 1.00 0.00 C ATOM 320 CD LYS A 21 8.335 -2.096 -6.661 1.00 0.00 C ATOM 321 CE LYS A 21 7.782 -0.991 -7.562 1.00 0.00 C ATOM 322 NZ LYS A 21 8.051 -1.237 -8.996 1.00 0.00 N ATOM 0 H LYS A 21 3.819 -3.812 -6.952 1.00 0.00 H new ATOM 0 HA LYS A 21 5.952 -5.274 -8.083 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.852 -2.807 -7.667 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.951 -3.114 -5.945 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.180 -4.215 -6.322 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.081 -3.754 -8.009 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.105 -1.861 -5.622 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.421 -2.122 -6.749 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.706 -0.906 -7.407 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.222 -0.037 -7.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.747 -0.413 -9.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.070 -1.393 -9.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.526 -2.079 -9.308 1.00 0.00 H new ATOM 336 N ILE A 22 5.358 -5.697 -4.878 1.00 0.00 N ATOM 337 CA ILE A 22 5.596 -6.588 -3.748 1.00 0.00 C ATOM 338 C ILE A 22 5.238 -8.039 -4.119 1.00 0.00 C ATOM 339 O ILE A 22 5.868 -8.981 -3.667 1.00 0.00 O ATOM 340 CB ILE A 22 4.819 -6.106 -2.486 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.362 -4.742 -2.055 1.00 0.00 C ATOM 342 CG2 ILE A 22 4.938 -7.110 -1.338 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.621 -4.097 -0.926 1.00 0.00 C ATOM 0 H ILE A 22 4.649 -4.984 -4.705 1.00 0.00 H new ATOM 0 HA ILE A 22 6.658 -6.562 -3.504 1.00 0.00 H new ATOM 0 HB ILE A 22 3.762 -6.022 -2.738 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.406 -4.858 -1.766 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.342 -4.071 -2.914 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.384 -6.742 -0.474 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.527 -8.070 -1.650 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.987 -7.234 -1.071 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.079 -3.136 -0.692 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.581 -3.943 -1.214 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.662 -4.742 -0.048 1.00 0.00 H new ATOM 355 N CYS A 23 4.232 -8.197 -4.941 1.00 0.00 N ATOM 356 CA CYS A 23 3.820 -9.503 -5.400 1.00 0.00 C ATOM 357 C CYS A 23 4.758 -10.049 -6.524 1.00 0.00 C ATOM 358 O CYS A 23 5.089 -11.232 -6.547 1.00 0.00 O ATOM 359 CB CYS A 23 2.362 -9.451 -5.892 1.00 0.00 C ATOM 360 SG CYS A 23 1.707 -11.023 -6.506 1.00 0.00 S ATOM 0 H CYS A 23 3.675 -7.427 -5.312 1.00 0.00 H new ATOM 0 HA CYS A 23 3.892 -10.191 -4.557 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.730 -9.106 -5.074 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.288 -8.709 -6.687 1.00 0.00 H new ATOM 0 HG CYS A 23 0.476 -10.860 -6.890 1.00 0.00 H new ATOM 366 N ARG A 24 5.183 -9.189 -7.443 1.00 0.00 N ATOM 367 CA ARG A 24 5.988 -9.646 -8.584 1.00 0.00 C ATOM 368 C ARG A 24 7.492 -9.438 -8.438 1.00 0.00 C ATOM 369 O ARG A 24 8.278 -10.341 -8.693 1.00 0.00 O ATOM 370 CB ARG A 24 5.466 -9.080 -9.904 1.00 0.00 C ATOM 371 CG ARG A 24 5.403 -7.587 -10.043 1.00 0.00 C ATOM 372 CD ARG A 24 4.822 -7.268 -11.392 1.00 0.00 C ATOM 373 NE ARG A 24 4.561 -5.840 -11.613 1.00 0.00 N ATOM 374 CZ ARG A 24 3.985 -5.344 -12.727 1.00 0.00 C ATOM 375 NH1 ARG A 24 3.846 -6.112 -13.801 1.00 0.00 N ATOM 376 NH2 ARG A 24 3.593 -4.085 -12.781 1.00 0.00 N ATOM 0 H ARG A 24 4.991 -8.187 -7.428 1.00 0.00 H new ATOM 0 HA ARG A 24 5.860 -10.728 -8.595 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.094 -9.466 -10.707 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.463 -9.475 -10.066 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.788 -7.157 -9.252 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.398 -7.153 -9.945 1.00 0.00 H new ATOM 0 HD2 ARG A 24 5.505 -7.624 -12.163 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.889 -7.819 -11.513 1.00 0.00 H new ATOM 0 HE ARG A 24 4.831 -5.184 -10.880 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.175 -7.077 -13.784 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.410 -5.737 -14.643 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.724 -3.475 -11.974 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.159 -3.722 -13.630 1.00 0.00 H new ATOM 390 N ALA A 25 7.865 -8.304 -7.949 1.00 0.00 N ATOM 391 CA ALA A 25 9.250 -7.872 -7.845 1.00 0.00 C ATOM 392 C ALA A 25 9.721 -8.010 -6.414 1.00 0.00 C ATOM 393 O ALA A 25 10.701 -7.374 -6.023 1.00 0.00 O ATOM 394 CB ALA A 25 9.374 -6.429 -8.309 1.00 0.00 C ATOM 0 H ALA A 25 7.202 -7.615 -7.593 1.00 0.00 H new ATOM 0 HA ALA A 25 9.875 -8.499 -8.481 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.413 -6.109 -8.229 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.049 -6.351 -9.346 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.749 -5.791 -7.684 1.00 0.00 H new ATOM 400 N GLU A 26 9.008 -8.901 -5.685 1.00 0.00 N ATOM 401 CA GLU A 26 9.110 -9.172 -4.229 1.00 0.00 C ATOM 402 C GLU A 26 10.460 -8.764 -3.659 1.00 0.00 C ATOM 403 O GLU A 26 10.586 -7.724 -3.008 1.00 0.00 O ATOM 404 CB GLU A 26 8.928 -10.688 -4.009 1.00 0.00 C ATOM 405 CG GLU A 26 7.662 -11.260 -4.616 1.00 0.00 C ATOM 406 CD GLU A 26 7.650 -12.766 -4.672 1.00 0.00 C ATOM 407 OE1 GLU A 26 8.295 -13.331 -5.574 1.00 0.00 O ATOM 408 OE2 GLU A 26 6.939 -13.415 -3.877 1.00 0.00 O ATOM 0 H GLU A 26 8.300 -9.488 -6.126 1.00 0.00 H new ATOM 0 HA GLU A 26 8.342 -8.589 -3.721 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.787 -11.210 -4.431 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.927 -10.890 -2.938 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.804 -10.919 -4.036 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.542 -10.866 -5.625 1.00 0.00 H new ATOM 415 N GLY A 27 11.464 -9.516 -3.975 1.00 0.00 N ATOM 416 CA GLY A 27 12.753 -9.219 -3.495 1.00 0.00 C ATOM 417 C GLY A 27 13.759 -10.152 -4.043 1.00 0.00 C ATOM 418 O GLY A 27 13.404 -11.212 -4.578 1.00 0.00 O ATOM 0 H GLY A 27 11.404 -10.344 -4.568 1.00 0.00 H new ATOM 0 HA2 GLY A 27 13.017 -8.197 -3.765 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.759 -9.273 -2.406 1.00 0.00 H new ATOM 422 N ALA A 28 15.008 -9.749 -3.970 1.00 0.00 N ATOM 423 CA ALA A 28 16.120 -10.612 -4.338 1.00 0.00 C ATOM 424 C ALA A 28 16.348 -11.605 -3.205 1.00 0.00 C ATOM 425 O ALA A 28 16.968 -12.649 -3.367 1.00 0.00 O ATOM 426 CB ALA A 28 17.372 -9.783 -4.588 1.00 0.00 C ATOM 0 H ALA A 28 15.286 -8.819 -3.656 1.00 0.00 H new ATOM 0 HA ALA A 28 15.890 -11.149 -5.258 1.00 0.00 H new ATOM 0 HB1 ALA A 28 18.196 -10.442 -4.862 1.00 0.00 H new ATOM 0 HB2 ALA A 28 17.186 -9.078 -5.398 1.00 0.00 H new ATOM 0 HB3 ALA A 28 17.632 -9.235 -3.683 1.00 0.00 H new ATOM 432 N THR A 29 15.851 -11.232 -2.055 1.00 0.00 N ATOM 433 CA THR A 29 15.849 -12.008 -0.850 1.00 0.00 C ATOM 434 C THR A 29 14.751 -11.365 0.002 1.00 0.00 C ATOM 435 O THR A 29 14.377 -10.211 -0.273 1.00 0.00 O ATOM 436 CB THR A 29 17.215 -11.919 -0.099 1.00 0.00 C ATOM 437 OG1 THR A 29 18.303 -12.164 -1.006 1.00 0.00 O ATOM 438 CG2 THR A 29 17.297 -12.950 1.025 1.00 0.00 C ATOM 0 H THR A 29 15.410 -10.321 -1.931 1.00 0.00 H new ATOM 0 HA THR A 29 15.684 -13.066 -1.054 1.00 0.00 H new ATOM 0 HB THR A 29 17.287 -10.915 0.319 1.00 0.00 H new ATOM 0 HG1 THR A 29 19.153 -12.103 -0.522 1.00 0.00 H new ATOM 0 HG21 THR A 29 18.260 -12.863 1.529 1.00 0.00 H new ATOM 0 HG22 THR A 29 16.495 -12.772 1.741 1.00 0.00 H new ATOM 0 HG23 THR A 29 17.195 -13.952 0.608 1.00 0.00 H new ATOM 446 N GLU A 30 14.263 -12.055 1.008 1.00 0.00 N ATOM 447 CA GLU A 30 13.161 -11.574 1.845 1.00 0.00 C ATOM 448 C GLU A 30 13.466 -10.226 2.542 1.00 0.00 C ATOM 449 O GLU A 30 12.552 -9.465 2.845 1.00 0.00 O ATOM 450 CB GLU A 30 12.756 -12.647 2.841 1.00 0.00 C ATOM 451 CG GLU A 30 13.859 -13.052 3.787 1.00 0.00 C ATOM 452 CD GLU A 30 13.485 -14.234 4.611 1.00 0.00 C ATOM 453 OE1 GLU A 30 12.591 -14.132 5.468 1.00 0.00 O ATOM 454 OE2 GLU A 30 14.070 -15.314 4.390 1.00 0.00 O ATOM 0 H GLU A 30 14.615 -12.973 1.279 1.00 0.00 H new ATOM 0 HA GLU A 30 12.318 -11.372 1.185 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.907 -12.287 3.422 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.418 -13.527 2.294 1.00 0.00 H new ATOM 0 HG2 GLU A 30 14.760 -13.279 3.217 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.099 -12.215 4.443 1.00 0.00 H new ATOM 461 N GLU A 31 14.747 -9.939 2.774 1.00 0.00 N ATOM 462 CA GLU A 31 15.157 -8.654 3.336 1.00 0.00 C ATOM 463 C GLU A 31 14.849 -7.502 2.351 1.00 0.00 C ATOM 464 O GLU A 31 14.366 -6.446 2.738 1.00 0.00 O ATOM 465 CB GLU A 31 16.650 -8.668 3.691 1.00 0.00 C ATOM 466 CG GLU A 31 17.548 -9.152 2.562 1.00 0.00 C ATOM 467 CD GLU A 31 19.004 -8.878 2.804 1.00 0.00 C ATOM 468 OE1 GLU A 31 19.677 -9.677 3.470 1.00 0.00 O ATOM 469 OE2 GLU A 31 19.507 -7.870 2.288 1.00 0.00 O ATOM 0 H GLU A 31 15.517 -10.579 2.581 1.00 0.00 H new ATOM 0 HA GLU A 31 14.587 -8.488 4.250 1.00 0.00 H new ATOM 0 HB2 GLU A 31 16.955 -7.662 3.978 1.00 0.00 H new ATOM 0 HB3 GLU A 31 16.801 -9.307 4.561 1.00 0.00 H new ATOM 0 HG2 GLU A 31 17.405 -10.224 2.427 1.00 0.00 H new ATOM 0 HG3 GLU A 31 17.244 -8.670 1.633 1.00 0.00 H new ATOM 476 N ASP A 32 15.080 -7.761 1.077 1.00 0.00 N ATOM 477 CA ASP A 32 14.865 -6.784 -0.002 1.00 0.00 C ATOM 478 C ASP A 32 13.372 -6.626 -0.266 1.00 0.00 C ATOM 479 O ASP A 32 12.901 -5.569 -0.687 1.00 0.00 O ATOM 480 CB ASP A 32 15.642 -7.233 -1.261 1.00 0.00 C ATOM 481 CG ASP A 32 15.407 -6.383 -2.494 1.00 0.00 C ATOM 482 OD1 ASP A 32 15.877 -5.217 -2.560 1.00 0.00 O ATOM 483 OD2 ASP A 32 14.761 -6.871 -3.428 1.00 0.00 O ATOM 0 H ASP A 32 15.426 -8.662 0.747 1.00 0.00 H new ATOM 0 HA ASP A 32 15.245 -5.805 0.290 1.00 0.00 H new ATOM 0 HB2 ASP A 32 16.708 -7.229 -1.033 1.00 0.00 H new ATOM 0 HB3 ASP A 32 15.369 -8.263 -1.490 1.00 0.00 H new ATOM 488 N ASP A 33 12.654 -7.679 0.037 1.00 0.00 N ATOM 489 CA ASP A 33 11.189 -7.722 -0.021 1.00 0.00 C ATOM 490 C ASP A 33 10.588 -6.840 1.070 1.00 0.00 C ATOM 491 O ASP A 33 9.853 -5.883 0.796 1.00 0.00 O ATOM 492 CB ASP A 33 10.739 -9.185 0.170 1.00 0.00 C ATOM 493 CG ASP A 33 9.257 -9.373 0.450 1.00 0.00 C ATOM 494 OD1 ASP A 33 8.861 -9.333 1.644 1.00 0.00 O ATOM 495 OD2 ASP A 33 8.489 -9.654 -0.483 1.00 0.00 O ATOM 0 H ASP A 33 13.070 -8.560 0.340 1.00 0.00 H new ATOM 0 HA ASP A 33 10.845 -7.347 -0.985 1.00 0.00 H new ATOM 0 HB2 ASP A 33 10.998 -9.748 -0.727 1.00 0.00 H new ATOM 0 HB3 ASP A 33 11.306 -9.619 0.994 1.00 0.00 H new ATOM 500 N ASN A 34 10.973 -7.131 2.299 1.00 0.00 N ATOM 501 CA ASN A 34 10.450 -6.469 3.488 1.00 0.00 C ATOM 502 C ASN A 34 10.724 -4.968 3.498 1.00 0.00 C ATOM 503 O ASN A 34 9.878 -4.190 3.918 1.00 0.00 O ATOM 504 CB ASN A 34 11.018 -7.156 4.727 1.00 0.00 C ATOM 505 CG ASN A 34 10.611 -6.555 6.056 1.00 0.00 C ATOM 506 OD1 ASN A 34 9.516 -6.020 6.225 1.00 0.00 O ATOM 507 ND2 ASN A 34 11.488 -6.647 7.011 1.00 0.00 N ATOM 0 H ASN A 34 11.670 -7.846 2.506 1.00 0.00 H new ATOM 0 HA ASN A 34 9.364 -6.564 3.485 1.00 0.00 H new ATOM 0 HB2 ASN A 34 10.711 -8.202 4.713 1.00 0.00 H new ATOM 0 HB3 ASN A 34 12.106 -7.142 4.661 1.00 0.00 H new ATOM 0 HD21 ASN A 34 11.278 -6.269 7.935 1.00 0.00 H new ATOM 0 HD22 ASN A 34 12.387 -7.097 6.837 1.00 0.00 H new ATOM 514 N LYS A 35 11.870 -4.548 2.985 1.00 0.00 N ATOM 515 CA LYS A 35 12.190 -3.126 2.966 1.00 0.00 C ATOM 516 C LYS A 35 11.314 -2.340 1.994 1.00 0.00 C ATOM 517 O LYS A 35 11.212 -1.115 2.096 1.00 0.00 O ATOM 518 CB LYS A 35 13.667 -2.852 2.746 1.00 0.00 C ATOM 519 CG LYS A 35 14.237 -3.456 1.500 1.00 0.00 C ATOM 520 CD LYS A 35 15.709 -3.152 1.375 1.00 0.00 C ATOM 521 CE LYS A 35 15.962 -1.679 1.102 1.00 0.00 C ATOM 522 NZ LYS A 35 17.397 -1.375 1.012 1.00 0.00 N ATOM 0 H LYS A 35 12.583 -5.157 2.583 1.00 0.00 H new ATOM 0 HA LYS A 35 11.956 -2.761 3.966 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.822 -1.773 2.714 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.224 -3.229 3.604 1.00 0.00 H new ATOM 0 HG2 LYS A 35 14.085 -4.535 1.513 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.707 -3.070 0.629 1.00 0.00 H new ATOM 0 HD2 LYS A 35 16.219 -3.444 2.293 1.00 0.00 H new ATOM 0 HD3 LYS A 35 16.136 -3.749 0.569 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.472 -1.393 0.171 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.514 -1.081 1.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 17.526 -0.360 0.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.861 -1.624 1.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 17.821 -1.926 0.238 1.00 0.00 H new ATOM 536 N LEU A 36 10.694 -3.024 1.036 1.00 0.00 N ATOM 537 CA LEU A 36 9.692 -2.358 0.226 1.00 0.00 C ATOM 538 C LEU A 36 8.482 -2.166 1.081 1.00 0.00 C ATOM 539 O LEU A 36 8.038 -1.044 1.304 1.00 0.00 O ATOM 540 CB LEU A 36 9.279 -3.147 -1.030 1.00 0.00 C ATOM 541 CG LEU A 36 10.317 -3.320 -2.121 1.00 0.00 C ATOM 542 CD1 LEU A 36 9.718 -4.117 -3.266 1.00 0.00 C ATOM 543 CD2 LEU A 36 10.789 -1.964 -2.617 1.00 0.00 C ATOM 0 H LEU A 36 10.862 -4.004 0.810 1.00 0.00 H new ATOM 0 HA LEU A 36 10.123 -1.420 -0.124 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.956 -4.139 -0.713 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.411 -2.653 -1.467 1.00 0.00 H new ATOM 0 HG LEU A 36 11.175 -3.858 -1.718 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.463 -4.242 -4.051 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.405 -5.096 -2.903 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.855 -3.586 -3.667 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.534 -2.102 -3.400 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.941 -1.408 -3.017 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.231 -1.408 -1.790 1.00 0.00 H new ATOM 555 N VAL A 37 8.016 -3.272 1.631 1.00 0.00 N ATOM 556 CA VAL A 37 6.815 -3.312 2.440 1.00 0.00 C ATOM 557 C VAL A 37 6.881 -2.288 3.584 1.00 0.00 C ATOM 558 O VAL A 37 5.936 -1.542 3.798 1.00 0.00 O ATOM 559 CB VAL A 37 6.564 -4.738 3.006 1.00 0.00 C ATOM 560 CG1 VAL A 37 5.210 -4.812 3.687 1.00 0.00 C ATOM 561 CG2 VAL A 37 6.651 -5.776 1.897 1.00 0.00 C ATOM 0 H VAL A 37 8.469 -4.180 1.526 1.00 0.00 H new ATOM 0 HA VAL A 37 5.979 -3.049 1.792 1.00 0.00 H new ATOM 0 HB VAL A 37 7.337 -4.952 3.745 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.053 -5.818 4.076 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.176 -4.096 4.508 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.427 -4.576 2.967 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.473 -6.768 2.312 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.900 -5.560 1.137 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.643 -5.744 1.446 1.00 0.00 H new ATOM 571 N ARG A 38 8.028 -2.212 4.249 1.00 0.00 N ATOM 572 CA ARG A 38 8.212 -1.291 5.365 1.00 0.00 C ATOM 573 C ARG A 38 8.139 0.172 4.967 1.00 0.00 C ATOM 574 O ARG A 38 7.583 0.965 5.718 1.00 0.00 O ATOM 575 CB ARG A 38 9.493 -1.543 6.141 1.00 0.00 C ATOM 576 CG ARG A 38 9.550 -2.889 6.816 1.00 0.00 C ATOM 577 CD ARG A 38 10.754 -2.995 7.728 1.00 0.00 C ATOM 578 NE ARG A 38 12.008 -2.669 7.042 1.00 0.00 N ATOM 579 CZ ARG A 38 13.213 -3.141 7.363 1.00 0.00 C ATOM 580 NH1 ARG A 38 13.350 -4.053 8.320 1.00 0.00 N ATOM 581 NH2 ARG A 38 14.279 -2.689 6.721 1.00 0.00 N ATOM 0 H ARG A 38 8.848 -2.779 4.034 1.00 0.00 H new ATOM 0 HA ARG A 38 7.365 -1.502 6.018 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.340 -1.454 5.461 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.607 -0.765 6.896 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.639 -3.048 7.393 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.592 -3.675 6.062 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.623 -2.324 8.577 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.815 -4.007 8.128 1.00 0.00 H new ATOM 0 HE ARG A 38 11.954 -2.026 6.252 1.00 0.00 H new ATOM 0 HH11 ARG A 38 12.529 -4.398 8.817 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.276 -4.408 8.558 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.174 -1.987 5.989 1.00 0.00 H new ATOM 0 HH22 ARG A 38 15.206 -3.043 6.958 1.00 0.00 H new ATOM 595 N GLU A 39 8.677 0.558 3.788 1.00 0.00 N ATOM 596 CA GLU A 39 8.607 1.978 3.426 1.00 0.00 C ATOM 597 C GLU A 39 7.165 2.329 3.128 1.00 0.00 C ATOM 598 O GLU A 39 6.691 3.403 3.461 1.00 0.00 O ATOM 599 CB GLU A 39 9.500 2.399 2.227 1.00 0.00 C ATOM 600 CG GLU A 39 8.940 2.069 0.847 1.00 0.00 C ATOM 601 CD GLU A 39 9.578 2.886 -0.241 1.00 0.00 C ATOM 602 OE1 GLU A 39 9.256 4.098 -0.370 1.00 0.00 O ATOM 603 OE2 GLU A 39 10.385 2.349 -1.004 1.00 0.00 O ATOM 0 H GLU A 39 9.135 -0.054 3.113 1.00 0.00 H new ATOM 0 HA GLU A 39 8.998 2.529 4.281 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.672 3.474 2.283 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.471 1.915 2.332 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.093 1.010 0.640 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.864 2.242 0.844 1.00 0.00 H new ATOM 610 N PHE A 40 6.455 1.381 2.548 1.00 0.00 N ATOM 611 CA PHE A 40 5.078 1.581 2.229 1.00 0.00 C ATOM 612 C PHE A 40 4.242 1.629 3.494 1.00 0.00 C ATOM 613 O PHE A 40 3.379 2.495 3.626 1.00 0.00 O ATOM 614 CB PHE A 40 4.579 0.546 1.233 1.00 0.00 C ATOM 615 CG PHE A 40 5.221 0.649 -0.139 1.00 0.00 C ATOM 616 CD1 PHE A 40 5.055 1.783 -0.922 1.00 0.00 C ATOM 617 CD2 PHE A 40 5.955 -0.402 -0.657 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.614 1.859 -2.188 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.519 -0.332 -1.915 1.00 0.00 C ATOM 620 CZ PHE A 40 6.348 0.794 -2.683 1.00 0.00 C ATOM 0 H PHE A 40 6.822 0.465 2.292 1.00 0.00 H new ATOM 0 HA PHE A 40 4.973 2.548 1.736 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.765 -0.450 1.636 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.499 0.651 1.126 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.483 2.616 -0.540 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.090 -1.296 -0.066 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.477 2.747 -2.787 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.095 -1.163 -2.295 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.784 0.849 -3.669 1.00 0.00 H new ATOM 630 N GLU A 41 4.525 0.723 4.443 1.00 0.00 N ATOM 631 CA GLU A 41 3.904 0.747 5.768 1.00 0.00 C ATOM 632 C GLU A 41 4.188 2.065 6.483 1.00 0.00 C ATOM 633 O GLU A 41 3.391 2.510 7.285 1.00 0.00 O ATOM 634 CB GLU A 41 4.414 -0.394 6.650 1.00 0.00 C ATOM 635 CG GLU A 41 3.885 -1.784 6.334 1.00 0.00 C ATOM 636 CD GLU A 41 4.502 -2.826 7.233 1.00 0.00 C ATOM 637 OE1 GLU A 41 5.716 -3.102 7.123 1.00 0.00 O ATOM 638 OE2 GLU A 41 3.783 -3.369 8.108 1.00 0.00 O ATOM 0 H GLU A 41 5.188 -0.041 4.311 1.00 0.00 H new ATOM 0 HA GLU A 41 2.832 0.632 5.609 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.502 -0.419 6.581 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.166 -0.162 7.686 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.801 -1.797 6.450 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.097 -2.028 5.293 1.00 0.00 H new ATOM 645 N ARG A 42 5.332 2.662 6.190 1.00 0.00 N ATOM 646 CA ARG A 42 5.738 3.928 6.786 1.00 0.00 C ATOM 647 C ARG A 42 4.979 5.082 6.155 1.00 0.00 C ATOM 648 O ARG A 42 4.427 5.922 6.854 1.00 0.00 O ATOM 649 CB ARG A 42 7.239 4.123 6.606 1.00 0.00 C ATOM 650 CG ARG A 42 7.835 5.322 7.333 1.00 0.00 C ATOM 651 CD ARG A 42 7.534 5.269 8.820 1.00 0.00 C ATOM 652 NE ARG A 42 8.374 6.193 9.582 1.00 0.00 N ATOM 653 CZ ARG A 42 8.092 6.672 10.793 1.00 0.00 C ATOM 654 NH1 ARG A 42 6.850 6.615 11.272 1.00 0.00 N ATOM 655 NH2 ARG A 42 9.043 7.281 11.490 1.00 0.00 N ATOM 0 H ARG A 42 6.009 2.282 5.529 1.00 0.00 H new ATOM 0 HA ARG A 42 5.505 3.907 7.851 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.749 3.222 6.948 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.450 4.224 5.541 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.914 5.345 7.178 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.433 6.243 6.911 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.484 5.512 8.986 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.688 4.254 9.185 1.00 0.00 H new ATOM 0 HE ARG A 42 9.247 6.495 9.151 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.105 6.202 10.711 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.644 6.984 12.200 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.979 7.379 11.098 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.837 7.651 12.418 1.00 0.00 H new ATOM 669 N LEU A 43 4.954 5.105 4.838 1.00 0.00 N ATOM 670 CA LEU A 43 4.237 6.138 4.070 1.00 0.00 C ATOM 671 C LEU A 43 2.768 6.181 4.434 1.00 0.00 C ATOM 672 O LEU A 43 2.165 7.246 4.554 1.00 0.00 O ATOM 673 CB LEU A 43 4.361 5.876 2.571 1.00 0.00 C ATOM 674 CG LEU A 43 5.755 5.977 1.984 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.733 5.555 0.532 1.00 0.00 C ATOM 676 CD2 LEU A 43 6.279 7.395 2.117 1.00 0.00 C ATOM 0 H LEU A 43 5.427 4.413 4.257 1.00 0.00 H new ATOM 0 HA LEU A 43 4.694 7.096 4.320 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.975 4.878 2.365 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.717 6.581 2.046 1.00 0.00 H new ATOM 0 HG LEU A 43 6.421 5.311 2.533 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.738 5.630 0.116 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.385 4.525 0.458 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.060 6.206 -0.026 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.281 7.454 1.692 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.618 8.079 1.584 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.315 7.672 3.171 1.00 0.00 H new ATOM 688 N THR A 44 2.209 5.029 4.617 1.00 0.00 N ATOM 689 CA THR A 44 0.828 4.907 4.942 1.00 0.00 C ATOM 690 C THR A 44 0.612 5.009 6.438 1.00 0.00 C ATOM 691 O THR A 44 -0.511 5.321 6.899 1.00 0.00 O ATOM 692 CB THR A 44 0.309 3.557 4.452 1.00 0.00 C ATOM 693 OG1 THR A 44 1.136 2.518 4.979 1.00 0.00 O ATOM 694 CG2 THR A 44 0.344 3.481 2.953 1.00 0.00 C ATOM 0 H THR A 44 2.703 4.140 4.544 1.00 0.00 H new ATOM 0 HA THR A 44 0.287 5.719 4.455 1.00 0.00 H new ATOM 0 HB THR A 44 -0.721 3.441 4.790 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.873 2.340 4.358 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.031 2.510 2.629 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.281 4.269 2.534 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.369 3.608 2.606 1.00 0.00 H new ATOM 702 N GLU A 45 1.701 4.781 7.193 1.00 0.00 N ATOM 703 CA GLU A 45 1.696 4.637 8.610 1.00 0.00 C ATOM 704 C GLU A 45 0.605 3.618 8.936 1.00 0.00 C ATOM 705 O GLU A 45 -0.177 3.763 9.885 1.00 0.00 O ATOM 706 CB GLU A 45 1.468 5.974 9.287 1.00 0.00 C ATOM 707 CG GLU A 45 2.004 5.994 10.684 1.00 0.00 C ATOM 708 CD GLU A 45 3.517 5.841 10.745 1.00 0.00 C ATOM 709 OE1 GLU A 45 4.248 6.763 10.306 1.00 0.00 O ATOM 710 OE2 GLU A 45 4.001 4.807 11.254 1.00 0.00 O ATOM 0 H GLU A 45 2.634 4.693 6.790 1.00 0.00 H new ATOM 0 HA GLU A 45 2.657 4.284 8.984 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.946 6.762 8.704 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.401 6.194 9.305 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.720 6.931 11.162 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.540 5.191 11.256 1.00 0.00 H new ATOM 717 N HIS A 46 0.550 2.601 8.087 1.00 0.00 N ATOM 718 CA HIS A 46 -0.459 1.623 8.155 1.00 0.00 C ATOM 719 C HIS A 46 0.055 0.414 8.915 1.00 0.00 C ATOM 720 O HIS A 46 1.048 -0.197 8.532 1.00 0.00 O ATOM 721 CB HIS A 46 -0.980 1.233 6.749 1.00 0.00 C ATOM 722 CG HIS A 46 -2.238 0.435 6.799 1.00 0.00 C ATOM 723 ND1 HIS A 46 -2.317 -0.790 7.385 1.00 0.00 N ATOM 724 CD2 HIS A 46 -3.501 0.788 6.504 1.00 0.00 C ATOM 725 CE1 HIS A 46 -3.584 -1.124 7.471 1.00 0.00 C ATOM 726 NE2 HIS A 46 -4.355 -0.209 6.939 1.00 0.00 N ATOM 0 H HIS A 46 1.223 2.455 7.335 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.310 2.041 8.693 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.152 2.138 6.167 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.213 0.660 6.228 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -1.528 -1.352 7.703 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.800 1.700 6.009 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -3.944 -2.037 7.923 1.00 0.00 H new ATOM 734 N PRO A 47 -0.679 0.036 9.951 1.00 0.00 N ATOM 735 CA PRO A 47 -0.328 -1.027 10.877 1.00 0.00 C ATOM 736 C PRO A 47 -0.084 -2.345 10.205 1.00 0.00 C ATOM 737 O PRO A 47 1.007 -2.913 10.263 1.00 0.00 O ATOM 738 CB PRO A 47 -1.572 -1.149 11.749 1.00 0.00 C ATOM 739 CG PRO A 47 -2.621 -0.343 11.126 1.00 0.00 C ATOM 740 CD PRO A 47 -1.946 0.645 10.300 1.00 0.00 C ATOM 0 HA PRO A 47 0.595 -0.792 11.407 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -1.884 -2.190 11.829 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -1.368 -0.798 12.761 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -3.283 -0.966 10.524 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -3.239 0.141 11.882 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.529 0.881 9.410 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -1.799 1.579 10.842 1.00 0.00 H new ATOM 748 N ASP A 48 -1.090 -2.782 9.510 1.00 0.00 N ATOM 749 CA ASP A 48 -1.094 -4.042 8.877 1.00 0.00 C ATOM 750 C ASP A 48 -0.720 -3.891 7.456 1.00 0.00 C ATOM 751 O ASP A 48 -1.109 -4.686 6.658 1.00 0.00 O ATOM 752 CB ASP A 48 -2.474 -4.705 8.949 1.00 0.00 C ATOM 753 CG ASP A 48 -2.864 -5.150 10.321 1.00 0.00 C ATOM 754 OD1 ASP A 48 -2.207 -6.041 10.884 1.00 0.00 O ATOM 755 OD2 ASP A 48 -3.861 -4.649 10.846 1.00 0.00 O ATOM 0 H ASP A 48 -1.948 -2.249 9.371 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.373 -4.672 9.398 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.222 -4.004 8.579 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.487 -5.567 8.281 1.00 0.00 H new ATOM 760 N GLY A 49 0.066 -2.858 7.134 1.00 0.00 N ATOM 761 CA GLY A 49 0.514 -2.661 5.714 1.00 0.00 C ATOM 762 C GLY A 49 1.183 -3.874 5.135 1.00 0.00 C ATOM 763 O GLY A 49 1.197 -4.071 3.930 1.00 0.00 O ATOM 0 H GLY A 49 0.405 -2.159 7.795 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.348 -2.401 5.100 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.203 -1.817 5.670 1.00 0.00 H new ATOM 767 N SER A 50 1.698 -4.680 5.991 1.00 0.00 N ATOM 768 CA SER A 50 2.256 -5.936 5.606 1.00 0.00 C ATOM 769 C SER A 50 1.150 -6.989 5.498 1.00 0.00 C ATOM 770 O SER A 50 0.902 -7.544 4.416 1.00 0.00 O ATOM 771 CB SER A 50 3.327 -6.306 6.606 1.00 0.00 C ATOM 772 OG SER A 50 2.955 -5.840 7.912 1.00 0.00 O ATOM 0 H SER A 50 1.747 -4.489 6.992 1.00 0.00 H new ATOM 0 HA SER A 50 2.719 -5.876 4.621 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.465 -7.387 6.621 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.280 -5.867 6.311 1.00 0.00 H new ATOM 0 HG SER A 50 3.458 -5.027 8.125 1.00 0.00 H new ATOM 778 N ASP A 51 0.439 -7.187 6.599 1.00 0.00 N ATOM 779 CA ASP A 51 -0.650 -8.162 6.701 1.00 0.00 C ATOM 780 C ASP A 51 -1.731 -7.972 5.649 1.00 0.00 C ATOM 781 O ASP A 51 -2.323 -8.926 5.235 1.00 0.00 O ATOM 782 CB ASP A 51 -1.265 -8.193 8.108 1.00 0.00 C ATOM 783 CG ASP A 51 -0.420 -8.933 9.121 1.00 0.00 C ATOM 784 OD1 ASP A 51 0.678 -8.447 9.497 1.00 0.00 O ATOM 785 OD2 ASP A 51 -0.829 -10.025 9.567 1.00 0.00 O ATOM 0 H ASP A 51 0.601 -6.669 7.463 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.187 -9.130 6.507 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.417 -7.170 8.452 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.248 -8.661 8.056 1.00 0.00 H new ATOM 790 N LEU A 52 -1.946 -6.741 5.194 1.00 0.00 N ATOM 791 CA LEU A 52 -2.935 -6.437 4.139 1.00 0.00 C ATOM 792 C LEU A 52 -2.650 -7.217 2.885 1.00 0.00 C ATOM 793 O LEU A 52 -3.564 -7.688 2.205 1.00 0.00 O ATOM 794 CB LEU A 52 -2.900 -4.961 3.733 1.00 0.00 C ATOM 795 CG LEU A 52 -3.250 -3.916 4.768 1.00 0.00 C ATOM 796 CD1 LEU A 52 -3.173 -2.549 4.127 1.00 0.00 C ATOM 797 CD2 LEU A 52 -4.629 -4.172 5.362 1.00 0.00 C ATOM 0 H LEU A 52 -1.446 -5.921 5.539 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.904 -6.700 4.562 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.896 -4.742 3.368 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.580 -4.833 2.891 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.537 -3.967 5.591 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.424 -1.787 4.865 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.162 -2.377 3.757 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.877 -2.496 3.297 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.854 -3.405 6.103 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.377 -4.142 4.570 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.644 -5.152 5.838 1.00 0.00 H new ATOM 809 N ILE A 53 -1.379 -7.370 2.586 1.00 0.00 N ATOM 810 CA ILE A 53 -0.985 -7.997 1.339 1.00 0.00 C ATOM 811 C ILE A 53 -1.180 -9.489 1.441 1.00 0.00 C ATOM 812 O ILE A 53 -1.570 -10.174 0.480 1.00 0.00 O ATOM 813 CB ILE A 53 0.502 -7.681 1.022 1.00 0.00 C ATOM 814 CG1 ILE A 53 0.712 -6.163 1.061 1.00 0.00 C ATOM 815 CG2 ILE A 53 0.911 -8.255 -0.350 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.146 -5.735 0.923 1.00 0.00 C ATOM 0 H ILE A 53 -0.606 -7.073 3.181 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.605 -7.603 0.533 1.00 0.00 H new ATOM 0 HB ILE A 53 1.135 -8.153 1.774 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.130 -5.706 0.261 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.318 -5.777 2.001 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.957 -8.019 -0.546 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.778 -9.337 -0.346 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.288 -7.815 -1.129 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.206 -4.647 0.961 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.732 -6.159 1.738 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.541 -6.087 -0.030 1.00 0.00 H new ATOM 828 N TYR A 54 -0.969 -9.966 2.617 1.00 0.00 N ATOM 829 CA TYR A 54 -0.957 -11.361 2.886 1.00 0.00 C ATOM 830 C TYR A 54 -2.312 -11.912 3.360 1.00 0.00 C ATOM 831 O TYR A 54 -2.594 -13.106 3.192 1.00 0.00 O ATOM 832 CB TYR A 54 0.176 -11.649 3.863 1.00 0.00 C ATOM 833 CG TYR A 54 1.532 -11.237 3.304 1.00 0.00 C ATOM 834 CD1 TYR A 54 2.065 -11.878 2.193 1.00 0.00 C ATOM 835 CD2 TYR A 54 2.258 -10.197 3.866 1.00 0.00 C ATOM 836 CE1 TYR A 54 3.274 -11.493 1.655 1.00 0.00 C ATOM 837 CE2 TYR A 54 3.476 -9.805 3.338 1.00 0.00 C ATOM 838 CZ TYR A 54 3.977 -10.459 2.227 1.00 0.00 C ATOM 839 OH TYR A 54 5.189 -10.068 1.683 1.00 0.00 O ATOM 0 H TYR A 54 -0.796 -9.385 3.437 1.00 0.00 H new ATOM 0 HA TYR A 54 -0.778 -11.895 1.953 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.007 -11.118 4.797 1.00 0.00 H new ATOM 0 HB3 TYR A 54 0.189 -12.713 4.099 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.521 -12.695 1.742 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.866 -9.684 4.731 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.668 -12.002 0.787 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.030 -8.996 3.790 1.00 0.00 H new ATOM 0 HH TYR A 54 5.557 -9.324 2.204 1.00 0.00 H new ATOM 849 N TYR A 55 -3.141 -11.056 3.924 1.00 0.00 N ATOM 850 CA TYR A 55 -4.434 -11.430 4.456 1.00 0.00 C ATOM 851 C TYR A 55 -5.462 -10.347 4.126 1.00 0.00 C ATOM 852 O TYR A 55 -5.264 -9.172 4.469 1.00 0.00 O ATOM 853 CB TYR A 55 -4.395 -11.533 5.993 1.00 0.00 C ATOM 854 CG TYR A 55 -3.333 -12.424 6.594 1.00 0.00 C ATOM 855 CD1 TYR A 55 -2.086 -11.914 6.902 1.00 0.00 C ATOM 856 CD2 TYR A 55 -3.588 -13.754 6.883 1.00 0.00 C ATOM 857 CE1 TYR A 55 -1.122 -12.696 7.481 1.00 0.00 C ATOM 858 CE2 TYR A 55 -2.620 -14.551 7.460 1.00 0.00 C ATOM 859 CZ TYR A 55 -1.389 -14.012 7.760 1.00 0.00 C ATOM 860 OH TYR A 55 -0.419 -14.790 8.363 1.00 0.00 O ATOM 0 H TYR A 55 -2.930 -10.063 4.027 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.697 -12.391 4.014 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.263 -10.529 6.397 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.368 -11.888 6.334 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -1.868 -10.879 6.682 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.557 -14.173 6.654 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.155 -12.278 7.717 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -2.827 -15.589 7.674 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.763 -15.698 8.495 1.00 0.00 H new ATOM 870 N PRO A 56 -6.547 -10.701 3.448 1.00 0.00 N ATOM 871 CA PRO A 56 -7.655 -9.779 3.234 1.00 0.00 C ATOM 872 C PRO A 56 -8.422 -9.582 4.548 1.00 0.00 C ATOM 873 O PRO A 56 -8.412 -10.472 5.410 1.00 0.00 O ATOM 874 CB PRO A 56 -8.530 -10.499 2.201 1.00 0.00 C ATOM 875 CG PRO A 56 -8.216 -11.945 2.382 1.00 0.00 C ATOM 876 CD PRO A 56 -6.781 -12.011 2.826 1.00 0.00 C ATOM 0 HA PRO A 56 -7.340 -8.791 2.899 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.588 -10.299 2.370 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -8.301 -10.168 1.188 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -8.874 -12.396 3.125 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -8.361 -12.494 1.452 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.618 -12.825 3.533 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -6.109 -12.180 1.985 1.00 0.00 H new ATOM 884 N ARG A 57 -9.049 -8.430 4.725 1.00 0.00 N ATOM 885 CA ARG A 57 -9.788 -8.168 5.951 1.00 0.00 C ATOM 886 C ARG A 57 -11.025 -9.016 6.114 1.00 0.00 C ATOM 887 O ARG A 57 -10.968 -10.133 6.622 1.00 0.00 O ATOM 888 CB ARG A 57 -10.098 -6.688 6.139 1.00 0.00 C ATOM 889 CG ARG A 57 -8.877 -5.876 6.523 1.00 0.00 C ATOM 890 CD ARG A 57 -9.194 -4.404 6.656 1.00 0.00 C ATOM 891 NE ARG A 57 -8.059 -3.659 7.227 1.00 0.00 N ATOM 892 CZ ARG A 57 -7.646 -2.444 6.837 1.00 0.00 C ATOM 893 NH1 ARG A 57 -8.083 -1.911 5.702 1.00 0.00 N ATOM 894 NH2 ARG A 57 -6.736 -1.801 7.552 1.00 0.00 N ATOM 0 H ARG A 57 -9.062 -7.670 4.045 1.00 0.00 H new ATOM 0 HA ARG A 57 -9.112 -8.468 6.752 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.518 -6.289 5.216 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -10.860 -6.576 6.910 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.477 -6.247 7.467 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.100 -6.013 5.771 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.445 -3.994 5.677 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.071 -4.275 7.290 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.542 -4.106 7.985 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.740 -2.426 5.116 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.762 -0.986 5.416 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -6.353 -2.230 8.394 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -6.418 -0.877 7.260 1.00 0.00 H new ATOM 908 N ASP A 58 -12.109 -8.512 5.673 1.00 0.00 N ATOM 909 CA ASP A 58 -13.373 -9.196 5.833 1.00 0.00 C ATOM 910 C ASP A 58 -14.004 -9.504 4.508 1.00 0.00 C ATOM 911 O ASP A 58 -14.131 -10.664 4.120 1.00 0.00 O ATOM 912 CB ASP A 58 -14.318 -8.372 6.718 1.00 0.00 C ATOM 913 CG ASP A 58 -15.687 -8.995 6.909 1.00 0.00 C ATOM 914 OD1 ASP A 58 -16.595 -8.711 6.110 1.00 0.00 O ATOM 915 OD2 ASP A 58 -15.889 -9.746 7.889 1.00 0.00 O ATOM 0 H ASP A 58 -12.169 -7.616 5.189 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.181 -10.148 6.327 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -13.855 -8.233 7.695 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.439 -7.382 6.278 1.00 0.00 H new ATOM 920 N ASP A 59 -14.342 -8.481 3.790 1.00 0.00 N ATOM 921 CA ASP A 59 -15.059 -8.667 2.533 1.00 0.00 C ATOM 922 C ASP A 59 -14.244 -8.137 1.389 1.00 0.00 C ATOM 923 O ASP A 59 -14.606 -8.284 0.222 1.00 0.00 O ATOM 924 CB ASP A 59 -16.434 -7.962 2.597 1.00 0.00 C ATOM 925 CG ASP A 59 -17.310 -8.200 1.375 1.00 0.00 C ATOM 926 OD1 ASP A 59 -17.863 -9.318 1.238 1.00 0.00 O ATOM 927 OD2 ASP A 59 -17.494 -7.266 0.548 1.00 0.00 O ATOM 0 H ASP A 59 -14.144 -7.511 4.034 1.00 0.00 H new ATOM 0 HA ASP A 59 -15.224 -9.732 2.373 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -16.966 -8.305 3.485 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -16.276 -6.890 2.715 1.00 0.00 H new ATOM 932 N ARG A 60 -13.117 -7.557 1.721 1.00 0.00 N ATOM 933 CA ARG A 60 -12.312 -6.908 0.767 1.00 0.00 C ATOM 934 C ARG A 60 -11.754 -7.841 -0.310 1.00 0.00 C ATOM 935 O ARG A 60 -11.237 -8.930 -0.032 1.00 0.00 O ATOM 936 CB ARG A 60 -11.253 -6.098 1.472 1.00 0.00 C ATOM 937 CG ARG A 60 -10.450 -5.192 0.587 1.00 0.00 C ATOM 938 CD ARG A 60 -9.262 -5.888 -0.036 1.00 0.00 C ATOM 939 NE ARG A 60 -8.300 -6.355 0.953 1.00 0.00 N ATOM 940 CZ ARG A 60 -7.256 -7.138 0.700 1.00 0.00 C ATOM 941 NH1 ARG A 60 -7.151 -7.761 -0.466 1.00 0.00 N ATOM 942 NH2 ARG A 60 -6.326 -7.314 1.633 1.00 0.00 N ATOM 0 H ARG A 60 -12.747 -7.533 2.671 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.945 -6.224 0.201 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -11.732 -5.495 2.243 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -10.572 -6.782 1.979 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -11.091 -4.800 -0.202 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -10.102 -4.338 1.168 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.611 -6.736 -0.625 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -8.766 -5.204 -0.724 1.00 0.00 H new ATOM 0 HE ARG A 60 -8.439 -6.057 1.919 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -7.874 -7.641 -1.175 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -6.347 -8.360 -0.653 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -6.416 -6.850 2.537 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -5.522 -7.914 1.445 1.00 0.00 H new ATOM 956 N GLU A 61 -11.905 -7.363 -1.517 1.00 0.00 N ATOM 957 CA GLU A 61 -11.461 -7.971 -2.768 1.00 0.00 C ATOM 958 C GLU A 61 -9.990 -8.305 -2.731 1.00 0.00 C ATOM 959 O GLU A 61 -9.140 -7.426 -2.509 1.00 0.00 O ATOM 960 CB GLU A 61 -11.748 -6.967 -3.901 1.00 0.00 C ATOM 961 CG GLU A 61 -11.160 -7.305 -5.273 1.00 0.00 C ATOM 962 CD GLU A 61 -11.546 -6.303 -6.339 1.00 0.00 C ATOM 963 OE1 GLU A 61 -12.723 -6.272 -6.745 1.00 0.00 O ATOM 964 OE2 GLU A 61 -10.674 -5.535 -6.802 1.00 0.00 O ATOM 0 H GLU A 61 -12.376 -6.472 -1.676 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.996 -8.907 -2.929 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.829 -6.870 -4.007 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.369 -5.991 -3.597 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.073 -7.348 -5.197 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.498 -8.297 -5.574 1.00 0.00 H new ATOM 971 N ASP A 62 -9.664 -9.544 -2.945 1.00 0.00 N ATOM 972 CA ASP A 62 -8.283 -9.912 -2.981 1.00 0.00 C ATOM 973 C ASP A 62 -7.711 -9.591 -4.329 1.00 0.00 C ATOM 974 O ASP A 62 -7.727 -10.404 -5.246 1.00 0.00 O ATOM 975 CB ASP A 62 -8.025 -11.367 -2.610 1.00 0.00 C ATOM 976 CG ASP A 62 -6.526 -11.695 -2.631 1.00 0.00 C ATOM 977 OD1 ASP A 62 -5.782 -11.211 -1.741 1.00 0.00 O ATOM 978 OD2 ASP A 62 -6.055 -12.402 -3.556 1.00 0.00 O ATOM 0 H ASP A 62 -10.325 -10.306 -3.095 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.778 -9.324 -2.214 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.429 -11.568 -1.618 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.551 -12.020 -3.306 1.00 0.00 H new ATOM 983 N SER A 63 -7.357 -8.366 -4.488 1.00 0.00 N ATOM 984 CA SER A 63 -6.711 -7.936 -5.640 1.00 0.00 C ATOM 985 C SER A 63 -5.710 -6.922 -5.167 1.00 0.00 C ATOM 986 O SER A 63 -5.929 -6.313 -4.102 1.00 0.00 O ATOM 987 CB SER A 63 -7.737 -7.291 -6.588 1.00 0.00 C ATOM 988 OG SER A 63 -8.262 -6.094 -6.038 1.00 0.00 O ATOM 0 H SER A 63 -7.519 -7.633 -3.798 1.00 0.00 H new ATOM 0 HA SER A 63 -6.230 -8.748 -6.186 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.266 -7.077 -7.547 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.549 -7.992 -6.781 1.00 0.00 H new ATOM 0 HG SER A 63 -9.057 -5.823 -6.543 1.00 0.00 H new ATOM 994 N PRO A 64 -4.580 -6.772 -5.854 1.00 0.00 N ATOM 995 CA PRO A 64 -3.623 -5.709 -5.566 1.00 0.00 C ATOM 996 C PRO A 64 -4.345 -4.334 -5.426 1.00 0.00 C ATOM 997 O PRO A 64 -4.050 -3.550 -4.527 1.00 0.00 O ATOM 998 CB PRO A 64 -2.713 -5.759 -6.812 1.00 0.00 C ATOM 999 CG PRO A 64 -2.705 -7.188 -7.184 1.00 0.00 C ATOM 1000 CD PRO A 64 -4.090 -7.688 -6.908 1.00 0.00 C ATOM 0 HA PRO A 64 -3.081 -5.833 -4.629 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.104 -5.138 -7.618 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.709 -5.398 -6.589 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.444 -7.317 -8.234 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -1.967 -7.740 -6.602 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.717 -7.648 -7.799 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.083 -8.724 -6.569 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.338 -4.102 -6.289 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.122 -2.864 -6.276 1.00 0.00 C ATOM 1010 C GLU A 65 -6.955 -2.768 -4.989 1.00 0.00 C ATOM 1011 O GLU A 65 -7.055 -1.709 -4.373 1.00 0.00 O ATOM 1012 CB GLU A 65 -7.041 -2.821 -7.494 1.00 0.00 C ATOM 1013 CG GLU A 65 -6.316 -2.916 -8.812 1.00 0.00 C ATOM 1014 CD GLU A 65 -7.239 -2.900 -9.982 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -7.772 -3.964 -10.345 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -7.437 -1.831 -10.575 1.00 0.00 O ATOM 0 H GLU A 65 -5.620 -4.763 -7.013 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.437 -2.017 -6.311 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -7.757 -3.640 -7.425 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -7.614 -1.894 -7.472 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -5.615 -2.085 -8.897 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.727 -3.833 -8.832 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.532 -3.895 -4.587 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.324 -3.959 -3.379 1.00 0.00 C ATOM 1025 C GLY A 66 -7.492 -3.727 -2.147 1.00 0.00 C ATOM 1026 O GLY A 66 -7.970 -3.165 -1.173 1.00 0.00 O ATOM 0 H GLY A 66 -7.461 -4.780 -5.089 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.118 -3.214 -3.426 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.806 -4.934 -3.313 1.00 0.00 H new ATOM 1030 N ILE A 67 -6.247 -4.153 -2.192 1.00 0.00 N ATOM 1031 CA ILE A 67 -5.324 -3.939 -1.091 1.00 0.00 C ATOM 1032 C ILE A 67 -5.069 -2.455 -0.897 1.00 0.00 C ATOM 1033 O ILE A 67 -5.040 -1.982 0.210 1.00 0.00 O ATOM 1034 CB ILE A 67 -4.001 -4.716 -1.283 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -4.299 -6.215 -1.295 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -2.991 -4.377 -0.174 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -3.099 -7.071 -1.545 1.00 0.00 C ATOM 0 H ILE A 67 -5.846 -4.654 -2.985 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.789 -4.332 -0.187 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.554 -4.423 -2.233 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.740 -6.495 -0.338 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.046 -6.421 -2.062 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.071 -4.938 -0.336 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.773 -3.309 -0.194 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.412 -4.643 0.796 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.393 -8.121 -1.538 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.669 -6.821 -2.515 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.359 -6.897 -0.764 1.00 0.00 H new ATOM 1049 N VAL A 68 -4.960 -1.722 -1.983 1.00 0.00 N ATOM 1050 CA VAL A 68 -4.788 -0.266 -1.916 1.00 0.00 C ATOM 1051 C VAL A 68 -6.012 0.367 -1.270 1.00 0.00 C ATOM 1052 O VAL A 68 -5.913 1.372 -0.539 1.00 0.00 O ATOM 1053 CB VAL A 68 -4.572 0.327 -3.323 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -4.439 1.845 -3.297 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.363 -0.289 -3.947 1.00 0.00 C ATOM 0 H VAL A 68 -4.986 -2.100 -2.930 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.906 -0.050 -1.314 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.454 0.095 -3.920 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.288 2.214 -4.311 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.347 2.283 -2.882 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.586 2.125 -2.679 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.212 0.132 -4.941 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.489 -0.082 -3.329 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.504 -1.367 -4.027 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.159 -0.254 -1.487 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.371 0.229 -0.907 1.00 0.00 C ATOM 1067 C LYS A 69 -8.340 0.034 0.611 1.00 0.00 C ATOM 1068 O LYS A 69 -8.949 0.790 1.336 1.00 0.00 O ATOM 1069 CB LYS A 69 -9.621 -0.426 -1.503 1.00 0.00 C ATOM 1070 CG LYS A 69 -10.853 0.382 -1.145 1.00 0.00 C ATOM 1071 CD LYS A 69 -12.119 -0.085 -1.793 1.00 0.00 C ATOM 1072 CE LYS A 69 -13.251 0.848 -1.381 1.00 0.00 C ATOM 1073 NZ LYS A 69 -14.543 0.472 -1.990 1.00 0.00 N ATOM 0 H LYS A 69 -7.262 -1.091 -2.061 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.434 1.292 -1.141 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.524 -0.495 -2.586 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.722 -1.444 -1.127 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.985 0.358 -0.063 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.682 1.422 -1.422 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.009 -0.090 -2.877 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.343 -1.108 -1.491 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -13.348 0.839 -0.295 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -13.000 1.869 -1.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -15.280 1.137 -1.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -14.461 0.506 -3.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -14.799 -0.492 -1.694 1.00 0.00 H new ATOM 1087 N GLU A 70 -7.596 -0.960 1.072 1.00 0.00 N ATOM 1088 CA GLU A 70 -7.429 -1.199 2.501 1.00 0.00 C ATOM 1089 C GLU A 70 -6.750 -0.026 3.139 1.00 0.00 C ATOM 1090 O GLU A 70 -7.143 0.414 4.225 1.00 0.00 O ATOM 1091 CB GLU A 70 -6.600 -2.441 2.753 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.246 -3.712 2.309 1.00 0.00 C ATOM 1093 CD GLU A 70 -8.401 -4.146 3.182 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -9.196 -3.291 3.647 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -8.533 -5.372 3.400 1.00 0.00 O ATOM 0 H GLU A 70 -7.095 -1.618 0.475 1.00 0.00 H new ATOM 0 HA GLU A 70 -8.419 -1.341 2.934 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.644 -2.335 2.241 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.385 -2.510 3.819 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.602 -3.590 1.286 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.497 -4.504 2.294 1.00 0.00 H new ATOM 1102 N ILE A 71 -5.724 0.481 2.466 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.037 1.638 2.933 1.00 0.00 C ATOM 1104 C ILE A 71 -5.976 2.841 2.922 1.00 0.00 C ATOM 1105 O ILE A 71 -6.092 3.542 3.939 1.00 0.00 O ATOM 1106 CB ILE A 71 -3.759 1.986 2.103 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -2.664 0.915 2.196 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.177 3.312 2.547 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -2.878 -0.336 1.415 1.00 0.00 C ATOM 0 H ILE A 71 -5.362 0.094 1.594 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.709 1.406 3.946 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.088 2.039 1.065 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.724 1.361 1.871 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.542 0.644 3.245 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.288 3.535 1.957 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.916 4.100 2.403 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.907 3.256 3.602 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.034 -1.009 1.567 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.794 -0.822 1.750 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -2.963 -0.094 0.356 1.00 0.00 H new ATOM 1121 N LYS A 72 -6.659 3.070 1.781 1.00 0.00 N ATOM 1122 CA LYS A 72 -7.530 4.199 1.650 1.00 0.00 C ATOM 1123 C LYS A 72 -8.641 4.155 2.675 1.00 0.00 C ATOM 1124 O LYS A 72 -8.784 5.074 3.399 1.00 0.00 O ATOM 1125 CB LYS A 72 -8.064 4.378 0.203 1.00 0.00 C ATOM 1126 CG LYS A 72 -9.391 3.727 -0.158 1.00 0.00 C ATOM 1127 CD LYS A 72 -9.706 3.866 -1.655 1.00 0.00 C ATOM 1128 CE LYS A 72 -9.889 5.325 -2.051 1.00 0.00 C ATOM 1129 NZ LYS A 72 -10.233 5.485 -3.469 1.00 0.00 N ATOM 0 H LYS A 72 -6.607 2.475 0.954 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.934 5.088 1.856 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.154 5.447 0.011 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.307 3.994 -0.481 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -9.363 2.671 0.111 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.190 4.183 0.426 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.898 3.427 -2.241 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.611 3.307 -1.891 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.674 5.769 -1.438 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.971 5.873 -1.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.115 6.481 -3.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.607 4.889 -4.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.221 5.199 -3.621 1.00 0.00 H new ATOM 1143 N GLU A 73 -9.344 3.033 2.781 1.00 0.00 N ATOM 1144 CA GLU A 73 -10.468 2.891 3.705 1.00 0.00 C ATOM 1145 C GLU A 73 -10.089 3.147 5.128 1.00 0.00 C ATOM 1146 O GLU A 73 -10.782 3.878 5.833 1.00 0.00 O ATOM 1147 CB GLU A 73 -11.134 1.531 3.568 1.00 0.00 C ATOM 1148 CG GLU A 73 -12.099 1.465 2.417 1.00 0.00 C ATOM 1149 CD GLU A 73 -13.281 2.359 2.666 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -13.213 3.561 2.336 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -14.292 1.886 3.216 1.00 0.00 O ATOM 0 H GLU A 73 -9.153 2.196 2.230 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.186 3.661 3.422 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.367 0.768 3.436 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -11.662 1.296 4.492 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.597 1.764 1.497 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.436 0.438 2.276 1.00 0.00 H new ATOM 1158 N TRP A 74 -8.984 2.590 5.527 1.00 0.00 N ATOM 1159 CA TRP A 74 -8.498 2.737 6.865 1.00 0.00 C ATOM 1160 C TRP A 74 -8.086 4.197 7.117 1.00 0.00 C ATOM 1161 O TRP A 74 -8.559 4.823 8.059 1.00 0.00 O ATOM 1162 CB TRP A 74 -7.344 1.764 7.067 1.00 0.00 C ATOM 1163 CG TRP A 74 -6.758 1.722 8.435 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -7.166 0.968 9.484 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -5.628 2.443 8.874 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -6.342 1.180 10.552 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -5.390 2.089 10.202 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -4.806 3.353 8.258 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -4.339 2.621 10.930 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -3.769 3.897 8.943 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -3.527 3.530 10.280 1.00 0.00 C ATOM 0 H TRP A 74 -8.391 2.017 4.928 1.00 0.00 H new ATOM 0 HA TRP A 74 -9.277 2.501 7.590 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -7.690 0.763 6.810 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -6.553 2.018 6.362 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -8.015 0.300 9.477 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -6.426 0.731 11.464 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -4.984 3.635 7.231 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -4.163 2.339 11.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.125 4.616 8.459 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -2.692 3.967 10.807 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.268 4.759 6.230 1.00 0.00 N ATOM 1183 CA ARG A 75 -6.817 6.145 6.362 1.00 0.00 C ATOM 1184 C ARG A 75 -7.963 7.141 6.219 1.00 0.00 C ATOM 1185 O ARG A 75 -8.024 8.125 6.956 1.00 0.00 O ATOM 1186 CB ARG A 75 -5.628 6.446 5.426 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.370 5.750 5.922 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.104 6.080 5.163 1.00 0.00 C ATOM 1189 NE ARG A 75 -2.920 7.515 4.900 1.00 0.00 N ATOM 1190 CZ ARG A 75 -1.847 8.264 5.248 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -0.930 7.804 6.068 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -1.737 9.482 4.787 1.00 0.00 N ATOM 0 H ARG A 75 -6.902 4.276 5.410 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.445 6.272 7.379 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.860 6.113 4.415 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.460 7.522 5.376 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.222 6.007 6.971 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.530 4.673 5.878 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.248 5.712 5.728 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.112 5.545 4.213 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.674 7.993 4.407 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.018 6.865 6.456 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.130 8.386 6.316 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.456 9.861 4.171 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.932 10.054 5.044 1.00 0.00 H new ATOM 1206 N ALA A 76 -8.895 6.831 5.343 1.00 0.00 N ATOM 1207 CA ALA A 76 -10.082 7.644 5.098 1.00 0.00 C ATOM 1208 C ALA A 76 -11.027 7.609 6.310 1.00 0.00 C ATOM 1209 O ALA A 76 -11.766 8.563 6.568 1.00 0.00 O ATOM 1210 CB ALA A 76 -10.804 7.152 3.828 1.00 0.00 C ATOM 0 H ALA A 76 -8.854 5.991 4.766 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.772 8.678 4.946 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.689 7.764 3.652 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.132 7.232 2.973 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -11.102 6.112 3.959 1.00 0.00 H new ATOM 1216 N ALA A 77 -10.999 6.513 7.056 1.00 0.00 N ATOM 1217 CA ALA A 77 -11.830 6.372 8.241 1.00 0.00 C ATOM 1218 C ALA A 77 -11.145 7.039 9.404 1.00 0.00 C ATOM 1219 O ALA A 77 -11.767 7.758 10.192 1.00 0.00 O ATOM 1220 CB ALA A 77 -12.105 4.910 8.545 1.00 0.00 C ATOM 0 H ALA A 77 -10.407 5.706 6.859 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.792 6.853 8.062 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.728 4.835 9.436 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.622 4.454 7.701 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.162 4.391 8.717 1.00 0.00 H new ATOM 1226 N ASN A 78 -9.847 6.804 9.484 1.00 0.00 N ATOM 1227 CA ASN A 78 -8.980 7.371 10.500 1.00 0.00 C ATOM 1228 C ASN A 78 -9.018 8.883 10.474 1.00 0.00 C ATOM 1229 O ASN A 78 -9.322 9.522 11.474 1.00 0.00 O ATOM 1230 CB ASN A 78 -7.531 6.932 10.272 1.00 0.00 C ATOM 1231 CG ASN A 78 -7.112 5.610 10.909 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -5.958 5.460 11.285 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -8.002 4.647 10.998 1.00 0.00 N ATOM 0 H ASN A 78 -9.355 6.198 8.827 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.340 7.013 11.464 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.361 6.862 9.198 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -6.874 7.716 10.649 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -7.738 3.743 11.390 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -8.957 4.804 10.675 1.00 0.00 H new ATOM 1240 N GLY A 79 -8.774 9.441 9.316 1.00 0.00 N ATOM 1241 CA GLY A 79 -8.673 10.873 9.188 1.00 0.00 C ATOM 1242 C GLY A 79 -7.304 11.257 8.688 1.00 0.00 C ATOM 1243 O GLY A 79 -6.868 12.402 8.823 1.00 0.00 O ATOM 0 H GLY A 79 -8.641 8.925 8.446 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.435 11.238 8.499 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.862 11.346 10.152 1.00 0.00 H new ATOM 1247 N LYS A 80 -6.625 10.289 8.106 1.00 0.00 N ATOM 1248 CA LYS A 80 -5.334 10.476 7.561 1.00 0.00 C ATOM 1249 C LYS A 80 -5.472 10.895 6.102 1.00 0.00 C ATOM 1250 O LYS A 80 -6.564 10.810 5.526 1.00 0.00 O ATOM 1251 CB LYS A 80 -4.533 9.186 7.662 1.00 0.00 C ATOM 1252 CG LYS A 80 -4.243 8.707 9.085 1.00 0.00 C ATOM 1253 CD LYS A 80 -3.155 7.647 9.083 1.00 0.00 C ATOM 1254 CE LYS A 80 -2.907 7.031 10.473 1.00 0.00 C ATOM 1255 NZ LYS A 80 -1.688 6.195 10.516 1.00 0.00 N ATOM 0 H LYS A 80 -6.980 9.338 8.007 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.808 11.252 8.117 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.073 8.400 7.135 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.585 9.325 7.143 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.935 9.551 9.702 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.152 8.302 9.530 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.429 6.856 8.385 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.228 8.088 8.717 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.821 7.829 11.210 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.768 6.426 10.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -1.739 5.548 11.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.615 5.642 9.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -0.852 6.806 10.611 1.00 0.00 H new ATOM 1269 N SER A 81 -4.390 11.336 5.517 1.00 0.00 N ATOM 1270 CA SER A 81 -4.359 11.778 4.163 1.00 0.00 C ATOM 1271 C SER A 81 -4.461 10.578 3.197 1.00 0.00 C ATOM 1272 O SER A 81 -4.368 9.416 3.630 1.00 0.00 O ATOM 1273 CB SER A 81 -3.062 12.529 3.992 1.00 0.00 C ATOM 1274 OG SER A 81 -2.949 13.544 4.991 1.00 0.00 O ATOM 0 H SER A 81 -3.487 11.396 5.988 1.00 0.00 H new ATOM 0 HA SER A 81 -5.205 12.425 3.931 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.221 11.840 4.066 1.00 0.00 H new ATOM 0 HB3 SER A 81 -3.020 12.978 3.000 1.00 0.00 H new ATOM 0 HG SER A 81 -2.104 14.026 4.874 1.00 0.00 H new ATOM 1280 N GLY A 82 -4.595 10.838 1.927 1.00 0.00 N ATOM 1281 CA GLY A 82 -4.794 9.770 0.987 1.00 0.00 C ATOM 1282 C GLY A 82 -3.746 9.734 -0.083 1.00 0.00 C ATOM 1283 O GLY A 82 -2.583 10.082 0.163 1.00 0.00 O ATOM 0 H GLY A 82 -4.570 11.773 1.520 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -4.795 8.819 1.520 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.775 9.878 0.524 1.00 0.00 H new ATOM 1287 N PHE A 83 -4.154 9.320 -1.261 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.304 9.209 -2.394 1.00 0.00 C ATOM 1289 C PHE A 83 -3.577 10.375 -3.313 1.00 0.00 C ATOM 1290 O PHE A 83 -4.423 11.214 -3.025 1.00 0.00 O ATOM 1291 CB PHE A 83 -3.620 7.911 -3.150 1.00 0.00 C ATOM 1292 CG PHE A 83 -3.563 6.674 -2.301 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.348 6.217 -1.856 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -4.719 5.956 -1.945 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -2.261 5.094 -1.082 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -4.616 4.828 -1.169 1.00 0.00 C ATOM 1297 CZ PHE A 83 -3.390 4.401 -0.742 1.00 0.00 C ATOM 0 H PHE A 83 -5.118 9.046 -1.449 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.262 9.204 -2.073 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.615 7.992 -3.588 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.916 7.804 -3.975 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.448 6.752 -2.121 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -5.688 6.292 -2.282 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.296 4.752 -0.737 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -5.504 4.278 -0.896 1.00 0.00 H new ATOM 0 HZ PHE A 83 -3.312 3.512 -0.133 1.00 0.00 H new ATOM 1307 N LYS A 84 -2.872 10.438 -4.391 1.00 0.00 N ATOM 1308 CA LYS A 84 -3.111 11.427 -5.386 1.00 0.00 C ATOM 1309 C LYS A 84 -4.119 10.869 -6.356 1.00 0.00 C ATOM 1310 O LYS A 84 -4.005 9.712 -6.793 1.00 0.00 O ATOM 1311 CB LYS A 84 -1.823 11.739 -6.122 1.00 0.00 C ATOM 1312 CG LYS A 84 -1.917 12.835 -7.176 1.00 0.00 C ATOM 1313 CD LYS A 84 -0.655 12.880 -8.029 1.00 0.00 C ATOM 1314 CE LYS A 84 0.602 13.029 -7.187 1.00 0.00 C ATOM 1315 NZ LYS A 84 1.852 13.030 -8.001 1.00 0.00 N ATOM 0 H LYS A 84 -2.107 9.799 -4.608 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.482 12.343 -4.927 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.068 12.027 -5.390 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.470 10.827 -6.603 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.785 12.660 -7.812 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.067 13.799 -6.691 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.587 11.968 -8.622 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.722 13.712 -8.730 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.544 13.957 -6.619 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.647 12.215 -6.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.677 12.963 -7.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.845 12.217 -8.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.907 13.911 -8.551 1.00 0.00 H new ATOM 1329 N GLN A 85 -5.091 11.649 -6.687 1.00 0.00 N ATOM 1330 CA GLN A 85 -6.086 11.218 -7.635 1.00 0.00 C ATOM 1331 C GLN A 85 -5.600 11.455 -9.066 1.00 0.00 C ATOM 1332 O GLN A 85 -5.887 12.476 -9.692 1.00 0.00 O ATOM 1333 CB GLN A 85 -7.517 11.790 -7.351 1.00 0.00 C ATOM 1334 CG GLN A 85 -7.710 13.324 -7.384 1.00 0.00 C ATOM 1335 CD GLN A 85 -6.887 14.086 -6.359 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -5.735 14.553 -6.761 1.00 0.00 O flip ATOM 1337 NE2 GLN A 85 -7.310 14.293 -5.227 1.00 0.00 N flip ATOM 0 H GLN A 85 -5.226 12.591 -6.320 1.00 0.00 H new ATOM 0 HA GLN A 85 -6.211 10.143 -7.509 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.201 11.353 -8.078 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.828 11.436 -6.368 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -7.455 13.688 -8.379 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.765 13.548 -7.223 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -8.214 13.915 -4.943 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -6.758 14.844 -4.569 1.00 0.00 H new ATOM 1346 N GLY A 86 -4.756 10.562 -9.507 1.00 0.00 N ATOM 1347 CA GLY A 86 -4.205 10.624 -10.826 1.00 0.00 C ATOM 1348 C GLY A 86 -4.856 9.620 -11.724 1.00 0.00 C ATOM 1349 O GLY A 86 -5.358 8.588 -11.211 1.00 0.00 O ATOM 1350 OXT GLY A 86 -4.869 9.819 -12.948 1.00 0.00 O ATOM 0 H GLY A 86 -4.432 9.768 -8.955 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.341 11.625 -11.235 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.132 10.439 -10.785 1.00 0.00 H new TER 1354 GLY A 86