USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 772 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 112 SER OG : rot 180:sc= -0.678 USER MOD Set 1.2: A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 97 CYS SG : rot 26:sc= 0.177 USER MOD Set 2.2: A 98 SER OG : rot 180:sc= -0.0338 USER MOD Set 2.3: A 100 CYS SG : rot -54:sc= -4.5! USER MOD Set 2.4: A 113 HIS :FLIP no HD1:sc= -3.14 F(o=-9.1!,f=-7.9) USER MOD Set 2.5: A 114 MET CE :methyl -114:sc= -0.563 (180deg=-0.362) USER MOD Set 2.6: A 118 HIS : no HD1:sc= 0.185 K(o=-7.9,f=-10) USER MOD Set 3.1: A 69 CYS SG : rot -130:sc= -2.09 USER MOD Set 3.2: A 72 CYS SG : rot -35:sc= -1.8! USER MOD Set 3.3: A 85 HIS : no HD1:sc= -2.39 X(o=-16,f=-16) USER MOD Set 3.4: A 86 MET CE :methyl 162:sc= -4.67 (180deg=-2.58!) USER MOD Set 3.5: A 89 HIS : no HD1:sc= -5.02! C(o=-16!,f=-18!) USER MOD Set 4.1: A 38 CYS SG : rot -130:sc= 0 USER MOD Set 4.2: A 41 CYS SG : rot 180:sc= -2.57 USER MOD Set 4.3: A 54 HIS :FLIP no HD1:sc= -1.95 F(o=-6.4!,f=-4.5) USER MOD Set 5.1: A 43 LYS NZ :NH3+ 153:sc= 0.0458 (180deg=0) USER MOD Set 5.2: A 44 CYS SG : rot 180:sc= 0.00663 USER MOD Set 6.1: A 10 CYS SG : rot 161:sc= 0.0738 USER MOD Set 6.2: A 12 THR OG1 : rot 90:sc= 0.135 USER MOD Set 6.3: A 13 CYS SG : rot -39:sc= -2.73 USER MOD Set 6.4: A 26 HIS : no HE2:sc= -3.67 K(o=-6.2,f=-6.7) USER MOD Single : A 14 HIS : no HD1:sc= -0.0173 X(o=-0.017,f=-0.15) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= -0.0203 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -3.69! C(o=-3.7!,f=-7.3!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -172:sc= -0.884 (180deg=-1.17) USER MOD Single : A 50 ASN : amide:sc= -0.139 K(o=-0.14,f=-4.9!) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -16:sc= 0.967 USER MOD Single : A 73 GLN :FLIP amide:sc= -0.14 F(o=-1.1,f=-0.14) USER MOD Single : A 75 THR OG1 : rot 46:sc= 0.0448 USER MOD Single : A 80 MET CE :methyl -143:sc= -3.59 (180deg=-8.91!) USER MOD Single : A 88 SER OG : rot -59:sc= 1.26 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 MET CE :methyl -170:sc= -0.88 (180deg=-1.02) USER MOD Single : A 106 GLN : amide:sc= -1.08 K(o=-1.1,f=-2.1!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -0.935 K(o=-0.93,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -16.406 4.733 18.846 1.00 0.00 N ATOM 60 CA GLY A 7 -16.106 3.336 18.588 1.00 0.00 C ATOM 61 C GLY A 7 -15.368 2.680 19.738 1.00 0.00 C ATOM 62 O GLY A 7 -15.265 3.250 20.824 1.00 0.00 O ATOM 0 HA2 GLY A 7 -17.035 2.797 18.401 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.504 3.258 17.682 1.00 0.00 H new ATOM 66 N VAL A 8 -14.855 1.477 19.500 1.00 0.00 N ATOM 67 CA VAL A 8 -14.124 0.742 20.525 1.00 0.00 C ATOM 68 C VAL A 8 -12.619 0.930 20.368 1.00 0.00 C ATOM 69 O VAL A 8 -12.159 1.554 19.414 1.00 0.00 O ATOM 70 CB VAL A 8 -14.450 -0.763 20.477 1.00 0.00 C ATOM 71 CG1 VAL A 8 -15.933 -0.996 20.726 1.00 0.00 C ATOM 72 CG2 VAL A 8 -14.025 -1.357 19.143 1.00 0.00 C ATOM 0 H VAL A 8 -14.932 0.991 18.607 1.00 0.00 H new ATOM 0 HA VAL A 8 -14.439 1.144 21.488 1.00 0.00 H new ATOM 0 HB VAL A 8 -13.890 -1.264 21.267 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -16.145 -2.065 20.688 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -16.203 -0.607 21.708 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -16.515 -0.484 19.960 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -14.263 -2.421 19.126 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -14.556 -0.854 18.335 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -12.951 -1.223 19.011 1.00 0.00 H new ATOM 82 N GLU A 9 -11.859 0.384 21.312 1.00 0.00 N ATOM 83 CA GLU A 9 -10.405 0.492 21.278 1.00 0.00 C ATOM 84 C GLU A 9 -9.752 -0.768 21.838 1.00 0.00 C ATOM 85 O GLU A 9 -10.195 -1.315 22.848 1.00 0.00 O ATOM 86 CB GLU A 9 -9.944 1.715 22.074 1.00 0.00 C ATOM 87 CG GLU A 9 -8.434 1.879 22.117 1.00 0.00 C ATOM 88 CD GLU A 9 -8.009 3.315 22.359 1.00 0.00 C ATOM 89 OE1 GLU A 9 -8.581 3.957 23.265 1.00 0.00 O ATOM 90 OE2 GLU A 9 -7.106 3.796 21.644 1.00 0.00 O ATOM 0 H GLU A 9 -12.225 -0.137 22.109 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.099 0.607 20.238 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.386 2.610 21.637 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.322 1.638 23.093 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.026 1.246 22.905 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.008 1.532 21.176 1.00 0.00 H new ATOM 97 N CYS A 10 -8.696 -1.226 21.173 1.00 0.00 N ATOM 98 CA CYS A 10 -7.982 -2.422 21.601 1.00 0.00 C ATOM 99 C CYS A 10 -6.877 -2.070 22.593 1.00 0.00 C ATOM 100 O CYS A 10 -5.906 -1.389 22.263 1.00 0.00 O ATOM 101 CB CYS A 10 -7.385 -3.145 20.392 1.00 0.00 C ATOM 102 SG CYS A 10 -6.372 -4.598 20.820 1.00 0.00 S ATOM 0 H CYS A 10 -8.316 -0.786 20.335 1.00 0.00 H new ATOM 0 HA CYS A 10 -8.694 -3.082 22.096 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -8.195 -3.461 19.735 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -6.772 -2.442 19.828 1.00 0.00 H new ATOM 0 HG CYS A 10 -6.252 -5.365 19.778 1.00 0.00 H new ATOM 107 N PRO A 11 -7.028 -2.544 23.839 1.00 0.00 N ATOM 108 CA PRO A 11 -6.053 -2.293 24.905 1.00 0.00 C ATOM 109 C PRO A 11 -4.741 -3.034 24.676 1.00 0.00 C ATOM 110 O PRO A 11 -3.846 -3.010 25.522 1.00 0.00 O ATOM 111 CB PRO A 11 -6.755 -2.821 26.159 1.00 0.00 C ATOM 112 CG PRO A 11 -7.712 -3.845 25.654 1.00 0.00 C ATOM 113 CD PRO A 11 -8.161 -3.362 24.303 1.00 0.00 C ATOM 0 HA PRO A 11 -5.777 -1.240 24.966 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.041 -3.257 26.858 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -7.273 -2.022 26.689 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.235 -4.822 25.580 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -8.559 -3.954 26.331 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.361 -4.192 23.626 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.078 -2.777 24.370 1.00 0.00 H new ATOM 121 N THR A 12 -4.630 -3.693 23.527 1.00 0.00 N ATOM 122 CA THR A 12 -3.427 -4.442 23.188 1.00 0.00 C ATOM 123 C THR A 12 -2.541 -3.655 22.229 1.00 0.00 C ATOM 124 O THR A 12 -1.381 -3.371 22.531 1.00 0.00 O ATOM 125 CB THR A 12 -3.773 -5.801 22.550 1.00 0.00 C ATOM 126 OG1 THR A 12 -4.870 -6.404 23.245 1.00 0.00 O ATOM 127 CG2 THR A 12 -2.572 -6.734 22.580 1.00 0.00 C ATOM 0 H THR A 12 -5.360 -3.723 22.815 1.00 0.00 H new ATOM 0 HA THR A 12 -2.888 -4.612 24.120 1.00 0.00 H new ATOM 0 HB THR A 12 -4.053 -5.629 21.511 1.00 0.00 H new ATOM 0 HG1 THR A 12 -5.713 -6.125 22.830 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.840 -7.687 22.124 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.749 -6.285 22.024 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.265 -6.899 23.613 1.00 0.00 H new ATOM 135 N CYS A 13 -3.094 -3.303 21.074 1.00 0.00 N ATOM 136 CA CYS A 13 -2.354 -2.547 20.070 1.00 0.00 C ATOM 137 C CYS A 13 -2.972 -1.167 19.864 1.00 0.00 C ATOM 138 O CYS A 13 -2.674 -0.481 18.886 1.00 0.00 O ATOM 139 CB CYS A 13 -2.328 -3.309 18.744 1.00 0.00 C ATOM 140 SG CYS A 13 -3.977 -3.637 18.043 1.00 0.00 S ATOM 0 H CYS A 13 -4.053 -3.529 20.809 1.00 0.00 H new ATOM 0 HA CYS A 13 -1.332 -2.419 20.428 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -1.744 -2.739 18.021 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -1.813 -4.258 18.893 1.00 0.00 H new ATOM 0 HG CYS A 13 -4.801 -3.947 18.999 1.00 0.00 H new ATOM 145 N HIS A 14 -3.833 -0.765 20.794 1.00 0.00 N ATOM 146 CA HIS A 14 -4.492 0.534 20.715 1.00 0.00 C ATOM 147 C HIS A 14 -5.179 0.714 19.365 1.00 0.00 C ATOM 148 O HIS A 14 -5.341 1.835 18.883 1.00 0.00 O ATOM 149 CB HIS A 14 -3.480 1.657 20.939 1.00 0.00 C ATOM 150 CG HIS A 14 -3.071 1.819 22.371 1.00 0.00 C ATOM 151 ND1 HIS A 14 -3.978 1.932 23.404 1.00 0.00 N ATOM 152 CD2 HIS A 14 -1.845 1.884 22.940 1.00 0.00 C ATOM 153 CE1 HIS A 14 -3.326 2.062 24.546 1.00 0.00 C ATOM 154 NE2 HIS A 14 -2.031 2.035 24.292 1.00 0.00 N ATOM 0 H HIS A 14 -4.090 -1.320 21.610 1.00 0.00 H new ATOM 0 HA HIS A 14 -5.250 0.577 21.497 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -2.593 1.461 20.337 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.906 2.595 20.583 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -0.897 1.828 22.426 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -3.776 2.172 25.522 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -1.289 2.114 24.987 1.00 0.00 H new ATOM 162 N LYS A 15 -5.581 -0.398 18.758 1.00 0.00 N ATOM 163 CA LYS A 15 -6.250 -0.365 17.463 1.00 0.00 C ATOM 164 C LYS A 15 -7.762 -0.250 17.635 1.00 0.00 C ATOM 165 O LYS A 15 -8.421 -1.195 18.068 1.00 0.00 O ATOM 166 CB LYS A 15 -5.912 -1.621 16.658 1.00 0.00 C ATOM 167 CG LYS A 15 -6.524 -1.636 15.268 1.00 0.00 C ATOM 168 CD LYS A 15 -5.762 -2.559 14.333 1.00 0.00 C ATOM 169 CE LYS A 15 -6.117 -2.295 12.877 1.00 0.00 C ATOM 170 NZ LYS A 15 -5.172 -2.970 11.945 1.00 0.00 N ATOM 0 H LYS A 15 -5.455 -1.334 19.143 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.895 0.512 16.921 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.829 -1.705 16.570 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.256 -2.498 17.207 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.564 -1.958 15.331 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.527 -0.625 14.860 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.690 -2.422 14.478 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.987 -3.596 14.581 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.131 -2.643 12.681 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.107 -1.221 12.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.448 -2.766 10.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.208 -2.619 12.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.200 -3.997 12.106 1.00 0.00 H new ATOM 184 N LYS A 16 -8.305 0.913 17.292 1.00 0.00 N ATOM 185 CA LYS A 16 -9.739 1.151 17.406 1.00 0.00 C ATOM 186 C LYS A 16 -10.473 0.651 16.166 1.00 0.00 C ATOM 187 O LYS A 16 -9.876 0.487 15.102 1.00 0.00 O ATOM 188 CB LYS A 16 -10.015 2.643 17.608 1.00 0.00 C ATOM 189 CG LYS A 16 -9.479 3.187 18.921 1.00 0.00 C ATOM 190 CD LYS A 16 -10.193 4.466 19.327 1.00 0.00 C ATOM 191 CE LYS A 16 -9.480 5.697 18.789 1.00 0.00 C ATOM 192 NZ LYS A 16 -10.319 6.921 18.910 1.00 0.00 N ATOM 0 H LYS A 16 -7.773 1.706 16.933 1.00 0.00 H new ATOM 0 HA LYS A 16 -10.106 0.600 18.272 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.570 3.201 16.784 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -11.091 2.814 17.565 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.600 2.437 19.703 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.410 3.380 18.827 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.217 4.446 18.955 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.250 4.523 20.414 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.546 5.842 19.332 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.219 5.537 17.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.798 7.738 18.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.199 6.793 18.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.547 7.088 19.911 1.00 0.00 H new ATOM 206 N PHE A 17 -11.773 0.412 16.309 1.00 0.00 N ATOM 207 CA PHE A 17 -12.589 -0.068 15.200 1.00 0.00 C ATOM 208 C PHE A 17 -13.932 0.655 15.160 1.00 0.00 C ATOM 209 O PHE A 17 -14.236 1.472 16.030 1.00 0.00 O ATOM 210 CB PHE A 17 -12.813 -1.577 15.320 1.00 0.00 C ATOM 211 CG PHE A 17 -11.544 -2.378 15.255 1.00 0.00 C ATOM 212 CD1 PHE A 17 -10.707 -2.468 16.355 1.00 0.00 C ATOM 213 CD2 PHE A 17 -11.188 -3.042 14.091 1.00 0.00 C ATOM 214 CE1 PHE A 17 -9.539 -3.204 16.298 1.00 0.00 C ATOM 215 CE2 PHE A 17 -10.022 -3.781 14.029 1.00 0.00 C ATOM 216 CZ PHE A 17 -9.196 -3.861 15.133 1.00 0.00 C ATOM 0 H PHE A 17 -12.284 0.543 17.182 1.00 0.00 H new ATOM 0 HA PHE A 17 -12.056 0.141 14.272 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -13.318 -1.787 16.263 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -13.480 -1.902 14.521 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.971 -1.956 17.269 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -11.829 -2.981 13.224 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -8.895 -3.265 17.163 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -9.757 -4.296 13.117 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.283 -4.436 15.085 1.00 0.00 H new ATOM 226 N LEU A 18 -14.731 0.349 14.144 1.00 0.00 N ATOM 227 CA LEU A 18 -16.042 0.969 13.989 1.00 0.00 C ATOM 228 C LEU A 18 -17.006 0.482 15.066 1.00 0.00 C ATOM 229 O LEU A 18 -17.766 1.267 15.633 1.00 0.00 O ATOM 230 CB LEU A 18 -16.612 0.663 12.602 1.00 0.00 C ATOM 231 CG LEU A 18 -16.016 1.460 11.441 1.00 0.00 C ATOM 232 CD1 LEU A 18 -14.554 1.096 11.238 1.00 0.00 C ATOM 233 CD2 LEU A 18 -16.810 1.219 10.166 1.00 0.00 C ATOM 0 H LEU A 18 -14.494 -0.324 13.415 1.00 0.00 H new ATOM 0 HA LEU A 18 -15.921 2.047 14.096 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -16.470 -0.398 12.399 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -17.687 0.842 12.625 1.00 0.00 H new ATOM 0 HG LEU A 18 -16.074 2.521 11.686 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -14.147 1.673 10.408 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -13.994 1.321 12.145 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -14.471 0.032 11.015 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -16.372 1.794 9.350 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -16.785 0.158 9.917 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -17.843 1.532 10.316 1.00 0.00 H new ATOM 245 N SER A 19 -16.968 -0.817 15.343 1.00 0.00 N ATOM 246 CA SER A 19 -17.840 -1.409 16.351 1.00 0.00 C ATOM 247 C SER A 19 -17.137 -2.556 17.071 1.00 0.00 C ATOM 248 O SER A 19 -16.036 -2.960 16.694 1.00 0.00 O ATOM 249 CB SER A 19 -19.132 -1.913 15.706 1.00 0.00 C ATOM 250 OG SER A 19 -20.125 -2.169 16.685 1.00 0.00 O ATOM 0 H SER A 19 -16.343 -1.480 14.884 1.00 0.00 H new ATOM 0 HA SER A 19 -18.084 -0.639 17.082 1.00 0.00 H new ATOM 0 HB2 SER A 19 -19.500 -1.173 14.995 1.00 0.00 H new ATOM 0 HB3 SER A 19 -18.929 -2.824 15.142 1.00 0.00 H new ATOM 0 HG SER A 19 -20.941 -2.488 16.247 1.00 0.00 H new ATOM 256 N LYS A 20 -17.781 -3.078 18.109 1.00 0.00 N ATOM 257 CA LYS A 20 -17.220 -4.179 18.883 1.00 0.00 C ATOM 258 C LYS A 20 -16.991 -5.403 18.001 1.00 0.00 C ATOM 259 O LYS A 20 -15.938 -6.037 18.064 1.00 0.00 O ATOM 260 CB LYS A 20 -18.152 -4.541 20.042 1.00 0.00 C ATOM 261 CG LYS A 20 -18.148 -3.520 21.166 1.00 0.00 C ATOM 262 CD LYS A 20 -16.951 -3.704 22.084 1.00 0.00 C ATOM 263 CE LYS A 20 -17.100 -4.943 22.953 1.00 0.00 C ATOM 264 NZ LYS A 20 -16.261 -4.864 24.181 1.00 0.00 N ATOM 0 H LYS A 20 -18.693 -2.756 18.434 1.00 0.00 H new ATOM 0 HA LYS A 20 -16.259 -3.856 19.284 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -19.168 -4.646 19.661 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -17.860 -5.512 20.443 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -18.133 -2.515 20.745 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -19.068 -3.610 21.744 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -16.042 -3.784 21.487 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -16.839 -2.825 22.718 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -18.146 -5.065 23.235 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -16.820 -5.826 22.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -16.391 -5.727 24.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -15.260 -4.773 23.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -16.545 -4.036 24.743 1.00 0.00 H new ATOM 278 N TYR A 21 -17.982 -5.727 17.178 1.00 0.00 N ATOM 279 CA TYR A 21 -17.888 -6.875 16.284 1.00 0.00 C ATOM 280 C TYR A 21 -16.489 -6.985 15.685 1.00 0.00 C ATOM 281 O TYR A 21 -15.855 -8.039 15.750 1.00 0.00 O ATOM 282 CB TYR A 21 -18.926 -6.764 15.166 1.00 0.00 C ATOM 283 CG TYR A 21 -18.810 -7.849 14.121 1.00 0.00 C ATOM 284 CD1 TYR A 21 -19.163 -9.161 14.411 1.00 0.00 C ATOM 285 CD2 TYR A 21 -18.347 -7.563 12.842 1.00 0.00 C ATOM 286 CE1 TYR A 21 -19.057 -10.157 13.459 1.00 0.00 C ATOM 287 CE2 TYR A 21 -18.239 -8.552 11.883 1.00 0.00 C ATOM 288 CZ TYR A 21 -18.595 -9.847 12.197 1.00 0.00 C ATOM 289 OH TYR A 21 -18.489 -10.835 11.245 1.00 0.00 O ATOM 0 H TYR A 21 -18.859 -5.211 17.111 1.00 0.00 H new ATOM 0 HA TYR A 21 -18.086 -7.775 16.867 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -19.924 -6.798 15.604 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -18.823 -5.793 14.682 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -19.527 -9.407 15.398 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -18.067 -6.550 12.593 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -19.334 -11.172 13.702 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -17.878 -8.312 10.894 1.00 0.00 H new ATOM 0 HH TYR A 21 -18.149 -10.450 10.410 1.00 0.00 H new ATOM 299 N TYR A 22 -16.015 -5.890 15.102 1.00 0.00 N ATOM 300 CA TYR A 22 -14.692 -5.863 14.489 1.00 0.00 C ATOM 301 C TYR A 22 -13.602 -6.081 15.534 1.00 0.00 C ATOM 302 O TYR A 22 -12.540 -6.629 15.236 1.00 0.00 O ATOM 303 CB TYR A 22 -14.467 -4.531 13.771 1.00 0.00 C ATOM 304 CG TYR A 22 -15.366 -4.329 12.573 1.00 0.00 C ATOM 305 CD1 TYR A 22 -15.439 -5.284 11.566 1.00 0.00 C ATOM 306 CD2 TYR A 22 -16.143 -3.184 12.447 1.00 0.00 C ATOM 307 CE1 TYR A 22 -16.259 -5.103 10.469 1.00 0.00 C ATOM 308 CE2 TYR A 22 -16.966 -2.996 11.354 1.00 0.00 C ATOM 309 CZ TYR A 22 -17.021 -3.958 10.368 1.00 0.00 C ATOM 310 OH TYR A 22 -17.839 -3.774 9.277 1.00 0.00 O ATOM 0 H TYR A 22 -16.527 -5.010 15.041 1.00 0.00 H new ATOM 0 HA TYR A 22 -14.640 -6.674 13.762 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -14.628 -3.716 14.477 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -13.427 -4.473 13.448 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -14.845 -6.183 11.642 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -16.103 -2.428 13.217 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -16.303 -5.854 9.694 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -17.563 -2.100 11.272 1.00 0.00 H new ATOM 0 HH TYR A 22 -18.308 -2.917 9.360 1.00 0.00 H new ATOM 320 N LEU A 23 -13.874 -5.648 16.761 1.00 0.00 N ATOM 321 CA LEU A 23 -12.918 -5.796 17.853 1.00 0.00 C ATOM 322 C LEU A 23 -12.799 -7.256 18.279 1.00 0.00 C ATOM 323 O LEU A 23 -11.721 -7.847 18.214 1.00 0.00 O ATOM 324 CB LEU A 23 -13.341 -4.937 19.046 1.00 0.00 C ATOM 325 CG LEU A 23 -12.383 -4.927 20.238 1.00 0.00 C ATOM 326 CD1 LEU A 23 -11.074 -4.249 19.865 1.00 0.00 C ATOM 327 CD2 LEU A 23 -13.024 -4.233 21.431 1.00 0.00 C ATOM 0 H LEU A 23 -14.748 -5.192 17.024 1.00 0.00 H new ATOM 0 HA LEU A 23 -11.943 -5.460 17.498 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -13.472 -3.911 18.702 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -14.315 -5.284 19.391 1.00 0.00 H new ATOM 0 HG LEU A 23 -12.168 -5.959 20.515 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.405 -4.251 20.726 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -10.607 -4.788 19.041 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -11.270 -3.221 19.561 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -12.328 -4.235 22.270 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -13.269 -3.205 21.165 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -13.935 -4.761 21.713 1.00 0.00 H new ATOM 339 N LYS A 24 -13.914 -7.833 18.713 1.00 0.00 N ATOM 340 CA LYS A 24 -13.938 -9.224 19.147 1.00 0.00 C ATOM 341 C LYS A 24 -13.253 -10.125 18.123 1.00 0.00 C ATOM 342 O LYS A 24 -12.526 -11.050 18.484 1.00 0.00 O ATOM 343 CB LYS A 24 -15.380 -9.688 19.366 1.00 0.00 C ATOM 344 CG LYS A 24 -16.216 -9.693 18.098 1.00 0.00 C ATOM 345 CD LYS A 24 -17.571 -10.341 18.326 1.00 0.00 C ATOM 346 CE LYS A 24 -18.468 -9.469 19.191 1.00 0.00 C ATOM 347 NZ LYS A 24 -19.902 -9.851 19.065 1.00 0.00 N ATOM 0 H LYS A 24 -14.814 -7.358 18.773 1.00 0.00 H new ATOM 0 HA LYS A 24 -13.394 -9.294 20.089 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -15.369 -10.693 19.788 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -15.854 -9.038 20.101 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -16.355 -8.670 17.749 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -15.683 -10.228 17.312 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -18.055 -10.523 17.366 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -17.436 -11.311 18.803 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -18.160 -9.553 20.233 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -18.344 -8.425 18.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -20.480 -9.233 19.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -20.203 -9.747 18.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -20.025 -10.840 19.362 1.00 0.00 H new ATOM 361 N VAL A 25 -13.489 -9.847 16.845 1.00 0.00 N ATOM 362 CA VAL A 25 -12.893 -10.630 15.770 1.00 0.00 C ATOM 363 C VAL A 25 -11.401 -10.343 15.642 1.00 0.00 C ATOM 364 O VAL A 25 -10.604 -11.245 15.382 1.00 0.00 O ATOM 365 CB VAL A 25 -13.577 -10.342 14.420 1.00 0.00 C ATOM 366 CG1 VAL A 25 -12.870 -11.081 13.294 1.00 0.00 C ATOM 367 CG2 VAL A 25 -15.049 -10.723 14.477 1.00 0.00 C ATOM 0 H VAL A 25 -14.089 -9.085 16.529 1.00 0.00 H new ATOM 0 HA VAL A 25 -13.037 -11.680 16.026 1.00 0.00 H new ATOM 0 HB VAL A 25 -13.509 -9.273 14.219 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -13.367 -10.865 12.348 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.831 -10.755 13.240 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -12.904 -12.154 13.485 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.517 -10.513 13.515 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -15.141 -11.786 14.701 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -15.545 -10.144 15.256 1.00 0.00 H new ATOM 377 N HIS A 26 -11.029 -9.080 15.828 1.00 0.00 N ATOM 378 CA HIS A 26 -9.632 -8.673 15.735 1.00 0.00 C ATOM 379 C HIS A 26 -8.840 -9.170 16.940 1.00 0.00 C ATOM 380 O HIS A 26 -7.912 -9.966 16.801 1.00 0.00 O ATOM 381 CB HIS A 26 -9.527 -7.151 15.633 1.00 0.00 C ATOM 382 CG HIS A 26 -8.268 -6.596 16.224 1.00 0.00 C ATOM 383 ND1 HIS A 26 -7.118 -6.395 15.490 1.00 0.00 N ATOM 384 CD2 HIS A 26 -7.981 -6.198 17.485 1.00 0.00 C ATOM 385 CE1 HIS A 26 -6.178 -5.899 16.275 1.00 0.00 C ATOM 386 NE2 HIS A 26 -6.677 -5.769 17.491 1.00 0.00 N ATOM 0 H HIS A 26 -11.676 -8.321 16.044 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.209 -9.119 14.835 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -9.585 -6.861 14.584 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -10.383 -6.702 16.136 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -7.010 -6.598 14.496 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -8.653 -6.215 18.330 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -5.173 -5.643 15.974 1.00 0.00 H new ATOM 394 N ASN A 27 -9.213 -8.694 18.124 1.00 0.00 N ATOM 395 CA ASN A 27 -8.536 -9.089 19.354 1.00 0.00 C ATOM 396 C ASN A 27 -8.089 -10.546 19.286 1.00 0.00 C ATOM 397 O ASN A 27 -6.980 -10.885 19.697 1.00 0.00 O ATOM 398 CB ASN A 27 -9.459 -8.882 20.557 1.00 0.00 C ATOM 399 CG ASN A 27 -10.271 -10.121 20.882 1.00 0.00 C ATOM 400 OD1 ASN A 27 -11.457 -10.201 20.562 1.00 0.00 O ATOM 401 ND2 ASN A 27 -9.633 -11.096 21.521 1.00 0.00 N ATOM 0 H ASN A 27 -9.980 -8.035 18.257 1.00 0.00 H new ATOM 0 HA ASN A 27 -7.652 -8.462 19.470 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -8.862 -8.604 21.426 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -10.134 -8.051 20.355 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -10.127 -11.954 21.766 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -8.649 -10.986 21.767 1.00 0.00 H new ATOM 543 N PHE A 36 2.502 -21.794 12.531 1.00 0.00 N ATOM 544 CA PHE A 36 2.698 -21.870 11.088 1.00 0.00 C ATOM 545 C PHE A 36 1.853 -20.822 10.369 1.00 0.00 C ATOM 546 O PHE A 36 0.748 -20.497 10.802 1.00 0.00 O ATOM 547 CB PHE A 36 2.341 -23.267 10.577 1.00 0.00 C ATOM 548 CG PHE A 36 3.125 -24.365 11.237 1.00 0.00 C ATOM 549 CD1 PHE A 36 4.372 -24.730 10.756 1.00 0.00 C ATOM 550 CD2 PHE A 36 2.615 -25.032 12.339 1.00 0.00 C ATOM 551 CE1 PHE A 36 5.095 -25.741 11.361 1.00 0.00 C ATOM 552 CE2 PHE A 36 3.333 -26.043 12.949 1.00 0.00 C ATOM 553 CZ PHE A 36 4.575 -26.397 12.460 1.00 0.00 C ATOM 0 HA PHE A 36 3.749 -21.671 10.878 1.00 0.00 H new ATOM 0 HB2 PHE A 36 1.278 -23.443 10.738 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.511 -23.306 9.501 1.00 0.00 H new ATOM 0 HD1 PHE A 36 4.784 -24.219 9.898 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.645 -24.759 12.726 1.00 0.00 H new ATOM 0 HE1 PHE A 36 6.065 -26.018 10.975 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.923 -26.555 13.807 1.00 0.00 H new ATOM 0 HZ PHE A 36 5.139 -27.186 12.936 1.00 0.00 H new ATOM 563 N GLU A 37 2.383 -20.297 9.269 1.00 0.00 N ATOM 564 CA GLU A 37 1.679 -19.285 8.490 1.00 0.00 C ATOM 565 C GLU A 37 2.084 -19.349 7.021 1.00 0.00 C ATOM 566 O GLU A 37 3.270 -19.327 6.690 1.00 0.00 O ATOM 567 CB GLU A 37 1.966 -17.889 9.049 1.00 0.00 C ATOM 568 CG GLU A 37 1.191 -16.784 8.351 1.00 0.00 C ATOM 569 CD GLU A 37 1.091 -15.524 9.189 1.00 0.00 C ATOM 570 OE1 GLU A 37 2.098 -14.793 9.287 1.00 0.00 O ATOM 571 OE2 GLU A 37 0.003 -15.269 9.747 1.00 0.00 O ATOM 0 H GLU A 37 3.297 -20.555 8.897 1.00 0.00 H new ATOM 0 HA GLU A 37 0.610 -19.486 8.563 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.724 -17.875 10.112 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.033 -17.684 8.962 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.675 -16.548 7.403 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.188 -17.141 8.117 1.00 0.00 H new ATOM 578 N CYS A 38 1.090 -19.430 6.142 1.00 0.00 N ATOM 579 CA CYS A 38 1.341 -19.499 4.708 1.00 0.00 C ATOM 580 C CYS A 38 2.390 -18.474 4.289 1.00 0.00 C ATOM 581 O CYS A 38 2.154 -17.266 4.302 1.00 0.00 O ATOM 582 CB CYS A 38 0.044 -19.265 3.930 1.00 0.00 C ATOM 583 SG CYS A 38 0.022 -20.024 2.275 1.00 0.00 S ATOM 0 H CYS A 38 0.103 -19.449 6.399 1.00 0.00 H new ATOM 0 HA CYS A 38 1.720 -20.495 4.479 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -0.791 -19.659 4.510 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -0.117 -18.192 3.828 1.00 0.00 H new ATOM 0 HG CYS A 38 -0.351 -19.141 1.397 1.00 0.00 H new ATOM 588 N PRO A 39 3.579 -18.965 3.907 1.00 0.00 N ATOM 589 CA PRO A 39 4.688 -18.110 3.476 1.00 0.00 C ATOM 590 C PRO A 39 4.420 -17.447 2.129 1.00 0.00 C ATOM 591 O PRO A 39 5.263 -16.719 1.605 1.00 0.00 O ATOM 592 CB PRO A 39 5.865 -19.082 3.369 1.00 0.00 C ATOM 593 CG PRO A 39 5.238 -20.411 3.124 1.00 0.00 C ATOM 594 CD PRO A 39 3.931 -20.395 3.867 1.00 0.00 C ATOM 0 HA PRO A 39 4.860 -17.286 4.169 1.00 0.00 H new ATOM 0 HB2 PRO A 39 6.535 -18.804 2.555 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.459 -19.087 4.283 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.079 -20.577 2.059 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.880 -21.217 3.480 1.00 0.00 H new ATOM 0 HD2 PRO A 39 3.170 -20.982 3.353 1.00 0.00 H new ATOM 0 HD3 PRO A 39 4.033 -20.812 4.869 1.00 0.00 H new ATOM 602 N LYS A 40 3.240 -17.703 1.574 1.00 0.00 N ATOM 603 CA LYS A 40 2.859 -17.131 0.288 1.00 0.00 C ATOM 604 C LYS A 40 1.935 -15.933 0.479 1.00 0.00 C ATOM 605 O LYS A 40 2.132 -14.880 -0.129 1.00 0.00 O ATOM 606 CB LYS A 40 2.170 -18.187 -0.579 1.00 0.00 C ATOM 607 CG LYS A 40 3.029 -19.411 -0.845 1.00 0.00 C ATOM 608 CD LYS A 40 2.689 -20.052 -2.180 1.00 0.00 C ATOM 609 CE LYS A 40 3.319 -21.430 -2.313 1.00 0.00 C ATOM 610 NZ LYS A 40 2.501 -22.480 -1.645 1.00 0.00 N ATOM 0 H LYS A 40 2.531 -18.303 1.995 1.00 0.00 H new ATOM 0 HA LYS A 40 3.765 -16.793 -0.214 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.247 -18.500 -0.090 1.00 0.00 H new ATOM 0 HB3 LYS A 40 1.890 -17.737 -1.531 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.081 -19.127 -0.834 1.00 0.00 H new ATOM 0 HG3 LYS A 40 2.887 -20.137 -0.045 1.00 0.00 H new ATOM 0 HD2 LYS A 40 1.607 -20.134 -2.280 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.036 -19.412 -2.991 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.435 -21.676 -3.369 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.318 -21.416 -1.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.964 -23.405 -1.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.412 -22.259 -0.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.556 -22.511 -2.077 1.00 0.00 H new ATOM 624 N CYS A 41 0.926 -16.098 1.328 1.00 0.00 N ATOM 625 CA CYS A 41 -0.028 -15.030 1.600 1.00 0.00 C ATOM 626 C CYS A 41 0.148 -14.491 3.016 1.00 0.00 C ATOM 627 O CYS A 41 0.120 -13.282 3.239 1.00 0.00 O ATOM 628 CB CYS A 41 -1.460 -15.536 1.409 1.00 0.00 C ATOM 629 SG CYS A 41 -1.913 -16.918 2.507 1.00 0.00 S ATOM 0 H CYS A 41 0.748 -16.962 1.840 1.00 0.00 H new ATOM 0 HA CYS A 41 0.161 -14.220 0.896 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -2.151 -14.710 1.578 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -1.587 -15.852 0.374 1.00 0.00 H new ATOM 0 HG CYS A 41 -3.141 -17.274 2.272 1.00 0.00 H new ATOM 634 N GLY A 42 0.329 -15.399 3.971 1.00 0.00 N ATOM 635 CA GLY A 42 0.507 -14.996 5.354 1.00 0.00 C ATOM 636 C GLY A 42 -0.699 -15.320 6.212 1.00 0.00 C ATOM 637 O GLY A 42 -1.139 -14.497 7.015 1.00 0.00 O ATOM 0 H GLY A 42 0.355 -16.406 3.811 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.385 -15.494 5.764 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.701 -13.924 5.395 1.00 0.00 H new ATOM 641 N LYS A 43 -1.238 -16.523 6.043 1.00 0.00 N ATOM 642 CA LYS A 43 -2.402 -16.955 6.807 1.00 0.00 C ATOM 643 C LYS A 43 -1.997 -17.927 7.911 1.00 0.00 C ATOM 644 O LYS A 43 -1.754 -19.107 7.653 1.00 0.00 O ATOM 645 CB LYS A 43 -3.429 -17.614 5.884 1.00 0.00 C ATOM 646 CG LYS A 43 -4.869 -17.344 6.285 1.00 0.00 C ATOM 647 CD LYS A 43 -5.303 -18.235 7.437 1.00 0.00 C ATOM 648 CE LYS A 43 -5.120 -17.540 8.777 1.00 0.00 C ATOM 649 NZ LYS A 43 -6.087 -18.036 9.796 1.00 0.00 N ATOM 0 H LYS A 43 -0.887 -17.217 5.383 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.850 -16.075 7.268 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.271 -17.258 4.866 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.259 -18.691 5.875 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.978 -16.298 6.572 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.523 -17.510 5.429 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.349 -18.513 7.310 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.724 -19.158 7.423 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.103 -17.701 9.133 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.247 -16.465 8.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.681 -17.918 10.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.972 -17.493 9.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.284 -19.043 9.626 1.00 0.00 H new ATOM 663 N CYS A 44 -1.928 -17.426 9.139 1.00 0.00 N ATOM 664 CA CYS A 44 -1.554 -18.251 10.282 1.00 0.00 C ATOM 665 C CYS A 44 -2.367 -19.541 10.312 1.00 0.00 C ATOM 666 O CYS A 44 -3.313 -19.708 9.541 1.00 0.00 O ATOM 667 CB CYS A 44 -1.756 -17.476 11.585 1.00 0.00 C ATOM 668 SG CYS A 44 -3.451 -16.906 11.849 1.00 0.00 S ATOM 0 H CYS A 44 -2.126 -16.452 9.369 1.00 0.00 H new ATOM 0 HA CYS A 44 -0.500 -18.510 10.182 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.463 -18.110 12.422 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -1.089 -16.614 11.590 1.00 0.00 H new ATOM 0 HG CYS A 44 -3.522 -16.264 12.977 1.00 0.00 H new ATOM 674 N TYR A 45 -1.993 -20.450 11.204 1.00 0.00 N ATOM 675 CA TYR A 45 -2.685 -21.727 11.332 1.00 0.00 C ATOM 676 C TYR A 45 -2.161 -22.513 12.529 1.00 0.00 C ATOM 677 O TYR A 45 -0.958 -22.737 12.662 1.00 0.00 O ATOM 678 CB TYR A 45 -2.519 -22.551 10.054 1.00 0.00 C ATOM 679 CG TYR A 45 -3.601 -22.302 9.027 1.00 0.00 C ATOM 680 CD1 TYR A 45 -4.922 -22.648 9.284 1.00 0.00 C ATOM 681 CD2 TYR A 45 -3.302 -21.721 7.801 1.00 0.00 C ATOM 682 CE1 TYR A 45 -5.914 -22.423 8.350 1.00 0.00 C ATOM 683 CE2 TYR A 45 -4.288 -21.491 6.861 1.00 0.00 C ATOM 684 CZ TYR A 45 -5.592 -21.844 7.140 1.00 0.00 C ATOM 685 OH TYR A 45 -6.577 -21.618 6.205 1.00 0.00 O ATOM 0 H TYR A 45 -1.214 -20.327 11.850 1.00 0.00 H new ATOM 0 HA TYR A 45 -3.744 -21.523 11.490 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.550 -22.325 9.610 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -2.512 -23.610 10.313 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -5.177 -23.101 10.231 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -2.282 -21.445 7.579 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -6.936 -22.699 8.566 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -4.039 -21.037 5.913 1.00 0.00 H new ATOM 0 HH TYR A 45 -6.183 -21.203 5.409 1.00 0.00 H new ATOM 695 N PHE A 46 -3.074 -22.932 13.399 1.00 0.00 N ATOM 696 CA PHE A 46 -2.706 -23.694 14.587 1.00 0.00 C ATOM 697 C PHE A 46 -1.899 -24.932 14.210 1.00 0.00 C ATOM 698 O PHE A 46 -0.862 -25.216 14.810 1.00 0.00 O ATOM 699 CB PHE A 46 -3.959 -24.105 15.363 1.00 0.00 C ATOM 700 CG PHE A 46 -3.659 -24.823 16.648 1.00 0.00 C ATOM 701 CD1 PHE A 46 -2.814 -24.260 17.591 1.00 0.00 C ATOM 702 CD2 PHE A 46 -4.222 -26.061 16.913 1.00 0.00 C ATOM 703 CE1 PHE A 46 -2.536 -24.918 18.774 1.00 0.00 C ATOM 704 CE2 PHE A 46 -3.948 -26.724 18.095 1.00 0.00 C ATOM 705 CZ PHE A 46 -3.103 -26.152 19.026 1.00 0.00 C ATOM 0 H PHE A 46 -4.074 -22.757 13.304 1.00 0.00 H new ATOM 0 HA PHE A 46 -2.087 -23.057 15.220 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.549 -23.215 15.582 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -4.573 -24.747 14.732 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.367 -23.296 17.399 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -4.882 -26.513 16.188 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -1.876 -24.468 19.501 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.394 -27.688 18.290 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.886 -26.669 19.949 1.00 0.00 H new ATOM 715 N ARG A 47 -2.382 -25.666 13.212 1.00 0.00 N ATOM 716 CA ARG A 47 -1.707 -26.874 12.756 1.00 0.00 C ATOM 717 C ARG A 47 -1.077 -26.660 11.383 1.00 0.00 C ATOM 718 O ARG A 47 -1.542 -25.835 10.596 1.00 0.00 O ATOM 719 CB ARG A 47 -2.691 -28.044 12.700 1.00 0.00 C ATOM 720 CG ARG A 47 -3.308 -28.385 14.046 1.00 0.00 C ATOM 721 CD ARG A 47 -2.394 -29.282 14.867 1.00 0.00 C ATOM 722 NE ARG A 47 -3.090 -29.879 16.004 1.00 0.00 N ATOM 723 CZ ARG A 47 -2.560 -29.981 17.218 1.00 0.00 C ATOM 724 NH1 ARG A 47 -1.336 -29.528 17.451 1.00 0.00 N ATOM 725 NH2 ARG A 47 -3.256 -30.536 18.202 1.00 0.00 N ATOM 0 H ARG A 47 -3.238 -25.444 12.704 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.915 -27.108 13.468 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.487 -27.805 11.995 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.176 -28.923 12.313 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -3.510 -27.467 14.598 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.266 -28.882 13.893 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.995 -30.072 14.231 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.544 -28.702 15.226 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.034 -30.237 15.858 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.799 -29.100 16.697 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.932 -29.608 18.384 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.198 -30.885 18.027 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.849 -30.614 19.134 1.00 0.00 H new ATOM 739 N LYS A 48 -0.015 -27.407 11.101 1.00 0.00 N ATOM 740 CA LYS A 48 0.680 -27.300 9.824 1.00 0.00 C ATOM 741 C LYS A 48 -0.115 -27.981 8.714 1.00 0.00 C ATOM 742 O LYS A 48 -0.256 -27.440 7.618 1.00 0.00 O ATOM 743 CB LYS A 48 2.074 -27.924 9.924 1.00 0.00 C ATOM 744 CG LYS A 48 2.850 -27.891 8.619 1.00 0.00 C ATOM 745 CD LYS A 48 4.199 -28.577 8.755 1.00 0.00 C ATOM 746 CE LYS A 48 4.931 -28.636 7.423 1.00 0.00 C ATOM 747 NZ LYS A 48 4.172 -29.414 6.406 1.00 0.00 N ATOM 0 H LYS A 48 0.384 -28.094 11.741 1.00 0.00 H new ATOM 0 HA LYS A 48 0.779 -26.242 9.580 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.644 -27.398 10.690 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.977 -28.959 10.253 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.269 -28.380 7.837 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.996 -26.857 8.308 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.809 -28.042 9.483 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.058 -29.587 9.139 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.098 -27.624 7.055 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.912 -29.088 7.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.761 -29.546 5.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.917 -30.343 6.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.307 -28.898 6.149 1.00 0.00 H new ATOM 761 N GLU A 49 -0.633 -29.170 9.007 1.00 0.00 N ATOM 762 CA GLU A 49 -1.414 -29.923 8.033 1.00 0.00 C ATOM 763 C GLU A 49 -2.477 -29.039 7.387 1.00 0.00 C ATOM 764 O GLU A 49 -2.529 -28.905 6.165 1.00 0.00 O ATOM 765 CB GLU A 49 -2.075 -31.131 8.700 1.00 0.00 C ATOM 766 CG GLU A 49 -2.379 -32.267 7.738 1.00 0.00 C ATOM 767 CD GLU A 49 -1.129 -32.841 7.100 1.00 0.00 C ATOM 768 OE1 GLU A 49 -0.124 -33.020 7.819 1.00 0.00 O ATOM 769 OE2 GLU A 49 -1.157 -33.113 5.881 1.00 0.00 O ATOM 0 H GLU A 49 -0.526 -29.632 9.910 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.736 -30.273 7.255 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.423 -31.501 9.491 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.002 -30.811 9.175 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.907 -33.058 8.271 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.049 -31.907 6.957 1.00 0.00 H new ATOM 776 N ASN A 50 -3.323 -28.439 8.218 1.00 0.00 N ATOM 777 CA ASN A 50 -4.386 -27.568 7.729 1.00 0.00 C ATOM 778 C ASN A 50 -3.836 -26.536 6.749 1.00 0.00 C ATOM 779 O ASN A 50 -4.390 -26.333 5.668 1.00 0.00 O ATOM 780 CB ASN A 50 -5.074 -26.862 8.899 1.00 0.00 C ATOM 781 CG ASN A 50 -5.683 -27.839 9.886 1.00 0.00 C ATOM 782 OD1 ASN A 50 -4.997 -28.715 10.413 1.00 0.00 O ATOM 783 ND2 ASN A 50 -6.978 -27.692 10.142 1.00 0.00 N ATOM 0 H ASN A 50 -3.293 -28.540 9.233 1.00 0.00 H new ATOM 0 HA ASN A 50 -5.116 -28.186 7.206 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -4.350 -26.231 9.416 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -5.854 -26.204 8.515 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.443 -28.319 10.799 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.508 -26.952 9.682 1.00 0.00 H new ATOM 790 N LEU A 51 -2.744 -25.886 7.135 1.00 0.00 N ATOM 791 CA LEU A 51 -2.118 -24.874 6.291 1.00 0.00 C ATOM 792 C LEU A 51 -1.856 -25.419 4.890 1.00 0.00 C ATOM 793 O LEU A 51 -2.152 -24.761 3.892 1.00 0.00 O ATOM 794 CB LEU A 51 -0.806 -24.399 6.918 1.00 0.00 C ATOM 795 CG LEU A 51 0.163 -23.676 5.982 1.00 0.00 C ATOM 796 CD1 LEU A 51 -0.399 -22.324 5.572 1.00 0.00 C ATOM 797 CD2 LEU A 51 1.523 -23.512 6.645 1.00 0.00 C ATOM 0 H LEU A 51 -2.274 -26.041 8.027 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.803 -24.030 6.211 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.043 -23.733 7.747 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.294 -25.264 7.340 1.00 0.00 H new ATOM 0 HG LEU A 51 0.290 -24.281 5.084 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.305 -21.824 4.906 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.349 -22.466 5.056 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.556 -21.711 6.460 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.200 -22.995 5.964 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.414 -22.929 7.560 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.931 -24.494 6.886 1.00 0.00 H new ATOM 809 N LEU A 52 -1.303 -26.625 4.824 1.00 0.00 N ATOM 810 CA LEU A 52 -1.004 -27.260 3.546 1.00 0.00 C ATOM 811 C LEU A 52 -2.242 -27.305 2.657 1.00 0.00 C ATOM 812 O LEU A 52 -2.198 -26.906 1.494 1.00 0.00 O ATOM 813 CB LEU A 52 -0.471 -28.676 3.770 1.00 0.00 C ATOM 814 CG LEU A 52 0.875 -28.782 4.488 1.00 0.00 C ATOM 815 CD1 LEU A 52 1.171 -30.227 4.857 1.00 0.00 C ATOM 816 CD2 LEU A 52 1.988 -28.212 3.621 1.00 0.00 C ATOM 0 H LEU A 52 -1.053 -27.183 5.641 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.240 -26.666 3.043 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.211 -29.234 4.344 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.382 -29.167 2.801 1.00 0.00 H new ATOM 0 HG LEU A 52 0.822 -28.198 5.407 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.133 -30.283 5.367 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.388 -30.602 5.517 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.204 -30.834 3.952 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.939 -28.296 4.148 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.041 -28.768 2.685 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.782 -27.163 3.408 1.00 0.00 H new ATOM 828 N GLU A 53 -3.347 -27.791 3.214 1.00 0.00 N ATOM 829 CA GLU A 53 -4.598 -27.886 2.471 1.00 0.00 C ATOM 830 C GLU A 53 -4.933 -26.559 1.798 1.00 0.00 C ATOM 831 O GLU A 53 -5.321 -26.523 0.629 1.00 0.00 O ATOM 832 CB GLU A 53 -5.740 -28.301 3.402 1.00 0.00 C ATOM 833 CG GLU A 53 -5.541 -29.667 4.038 1.00 0.00 C ATOM 834 CD GLU A 53 -6.842 -30.282 4.516 1.00 0.00 C ATOM 835 OE1 GLU A 53 -7.526 -30.933 3.698 1.00 0.00 O ATOM 836 OE2 GLU A 53 -7.176 -30.113 5.707 1.00 0.00 O ATOM 0 H GLU A 53 -3.401 -28.125 4.176 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.475 -28.645 1.698 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.845 -27.555 4.189 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.673 -28.304 2.839 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.071 -30.335 3.316 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.856 -29.575 4.880 1.00 0.00 H new ATOM 843 N HIS A 54 -4.782 -25.469 2.543 1.00 0.00 N ATOM 844 CA HIS A 54 -5.069 -24.138 2.019 1.00 0.00 C ATOM 845 C HIS A 54 -4.139 -23.800 0.858 1.00 0.00 C ATOM 846 O HIS A 54 -4.588 -23.365 -0.202 1.00 0.00 O ATOM 847 CB HIS A 54 -4.926 -23.090 3.124 1.00 0.00 C ATOM 848 CG HIS A 54 -4.504 -21.744 2.621 1.00 0.00 C ATOM 849 ND1 HIS A 54 -3.340 -21.331 2.067 1.00 0.00 N flip ATOM 850 CD2 HIS A 54 -5.323 -20.635 2.660 1.00 0.00 C flip ATOM 851 CE1 HIS A 54 -3.476 -19.994 1.783 1.00 0.00 C flip ATOM 852 NE2 HIS A 54 -4.682 -19.599 2.150 1.00 0.00 N flip ATOM 0 H HIS A 54 -4.463 -25.481 3.512 1.00 0.00 H new ATOM 0 HA HIS A 54 -6.096 -24.132 1.653 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -5.878 -22.992 3.646 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -4.197 -23.441 3.854 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -6.331 -20.617 3.047 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -2.720 -19.368 1.333 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -5.055 -18.654 2.056 1.00 0.00 H new ATOM 860 N GLU A 55 -2.842 -24.002 1.066 1.00 0.00 N ATOM 861 CA GLU A 55 -1.850 -23.717 0.036 1.00 0.00 C ATOM 862 C GLU A 55 -2.361 -24.130 -1.341 1.00 0.00 C ATOM 863 O GLU A 55 -2.209 -23.396 -2.317 1.00 0.00 O ATOM 864 CB GLU A 55 -0.538 -24.443 0.344 1.00 0.00 C ATOM 865 CG GLU A 55 0.251 -23.817 1.482 1.00 0.00 C ATOM 866 CD GLU A 55 1.540 -24.560 1.775 1.00 0.00 C ATOM 867 OE1 GLU A 55 2.435 -24.560 0.903 1.00 0.00 O ATOM 868 OE2 GLU A 55 1.655 -25.140 2.874 1.00 0.00 O ATOM 0 H GLU A 55 -2.454 -24.362 1.938 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.669 -22.642 0.030 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.757 -25.481 0.593 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.081 -24.454 -0.553 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.481 -22.781 1.233 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.366 -23.799 2.380 1.00 0.00 H new ATOM 875 N ALA A 56 -2.967 -25.311 -1.411 1.00 0.00 N ATOM 876 CA ALA A 56 -3.503 -25.821 -2.667 1.00 0.00 C ATOM 877 C ALA A 56 -4.937 -25.350 -2.884 1.00 0.00 C ATOM 878 O ALA A 56 -5.304 -24.939 -3.985 1.00 0.00 O ATOM 879 CB ALA A 56 -3.435 -27.341 -2.690 1.00 0.00 C ATOM 0 H ALA A 56 -3.099 -25.932 -0.613 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.893 -25.428 -3.480 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.838 -27.709 -3.633 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.398 -27.660 -2.590 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.020 -27.744 -1.863 1.00 0.00 H new ATOM 885 N ARG A 57 -5.742 -25.415 -1.829 1.00 0.00 N ATOM 886 CA ARG A 57 -7.137 -24.996 -1.907 1.00 0.00 C ATOM 887 C ARG A 57 -7.248 -23.571 -2.440 1.00 0.00 C ATOM 888 O ARG A 57 -7.787 -23.344 -3.522 1.00 0.00 O ATOM 889 CB ARG A 57 -7.796 -25.090 -0.529 1.00 0.00 C ATOM 890 CG ARG A 57 -9.292 -25.356 -0.587 1.00 0.00 C ATOM 891 CD ARG A 57 -10.082 -24.064 -0.727 1.00 0.00 C ATOM 892 NE ARG A 57 -10.299 -23.704 -2.126 1.00 0.00 N ATOM 893 CZ ARG A 57 -11.366 -24.076 -2.824 1.00 0.00 C ATOM 894 NH1 ARG A 57 -12.309 -24.815 -2.255 1.00 0.00 N ATOM 895 NH2 ARG A 57 -11.492 -23.709 -4.092 1.00 0.00 N ATOM 0 H ARG A 57 -5.453 -25.753 -0.911 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.654 -25.664 -2.596 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.316 -25.886 0.041 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.621 -24.160 0.012 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -9.514 -26.012 -1.428 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.605 -25.879 0.317 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -11.044 -24.172 -0.227 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.550 -23.257 -0.223 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.592 -23.136 -2.593 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -12.216 -25.099 -1.280 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -13.128 -25.100 -2.793 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.769 -23.140 -4.533 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.312 -23.995 -4.627 1.00 0.00 H new ATOM 909 N ASN A 58 -6.735 -22.615 -1.672 1.00 0.00 N ATOM 910 CA ASN A 58 -6.778 -21.212 -2.067 1.00 0.00 C ATOM 911 C ASN A 58 -5.632 -20.432 -1.429 1.00 0.00 C ATOM 912 O ASN A 58 -5.083 -20.841 -0.406 1.00 0.00 O ATOM 913 CB ASN A 58 -8.117 -20.589 -1.669 1.00 0.00 C ATOM 914 CG ASN A 58 -8.241 -19.147 -2.120 1.00 0.00 C ATOM 915 OD1 ASN A 58 -8.363 -18.866 -3.313 1.00 0.00 O ATOM 916 ND2 ASN A 58 -8.209 -18.224 -1.166 1.00 0.00 N ATOM 0 H ASN A 58 -6.285 -22.786 -0.773 1.00 0.00 H new ATOM 0 HA ASN A 58 -6.670 -21.162 -3.150 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -8.929 -21.173 -2.102 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.230 -20.639 -0.586 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -8.287 -17.236 -1.409 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -8.106 -18.503 -0.190 1.00 0.00 H new ATOM 1031 N VAL A 66 -1.076 -0.973 -6.089 1.00 0.00 N ATOM 1032 CA VAL A 66 -1.445 0.214 -6.852 1.00 0.00 C ATOM 1033 C VAL A 66 -1.223 1.483 -6.036 1.00 0.00 C ATOM 1034 O VAL A 66 -0.983 1.424 -4.830 1.00 0.00 O ATOM 1035 CB VAL A 66 -2.917 0.157 -7.302 1.00 0.00 C ATOM 1036 CG1 VAL A 66 -3.144 -1.022 -8.236 1.00 0.00 C ATOM 1037 CG2 VAL A 66 -3.840 0.078 -6.095 1.00 0.00 C ATOM 0 HA VAL A 66 -0.804 0.236 -7.733 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.148 1.072 -7.848 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.189 -1.046 -8.544 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.509 -0.917 -9.116 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.896 -1.949 -7.719 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.876 0.038 -6.431 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.611 -0.819 -5.520 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.695 0.958 -5.468 1.00 0.00 H new ATOM 1047 N PHE A 67 -1.305 2.630 -6.702 1.00 0.00 N ATOM 1048 CA PHE A 67 -1.112 3.914 -6.039 1.00 0.00 C ATOM 1049 C PHE A 67 -2.375 4.766 -6.128 1.00 0.00 C ATOM 1050 O PHE A 67 -3.133 4.676 -7.094 1.00 0.00 O ATOM 1051 CB PHE A 67 0.067 4.663 -6.664 1.00 0.00 C ATOM 1052 CG PHE A 67 1.380 3.950 -6.508 1.00 0.00 C ATOM 1053 CD1 PHE A 67 1.637 2.783 -7.209 1.00 0.00 C ATOM 1054 CD2 PHE A 67 2.356 4.447 -5.659 1.00 0.00 C ATOM 1055 CE1 PHE A 67 2.845 2.125 -7.068 1.00 0.00 C ATOM 1056 CE2 PHE A 67 3.565 3.793 -5.515 1.00 0.00 C ATOM 1057 CZ PHE A 67 3.810 2.630 -6.219 1.00 0.00 C ATOM 0 H PHE A 67 -1.504 2.696 -7.700 1.00 0.00 H new ATOM 0 HA PHE A 67 -0.896 3.723 -4.988 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -0.131 4.815 -7.725 1.00 0.00 H new ATOM 0 HB3 PHE A 67 0.142 5.650 -6.209 1.00 0.00 H new ATOM 0 HD1 PHE A 67 0.885 2.383 -7.873 1.00 0.00 H new ATOM 0 HD2 PHE A 67 2.170 5.355 -5.104 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.034 1.217 -7.621 1.00 0.00 H new ATOM 0 HE2 PHE A 67 4.319 4.191 -4.852 1.00 0.00 H new ATOM 0 HZ PHE A 67 4.754 2.117 -6.106 1.00 0.00 H new ATOM 1067 N THR A 68 -2.595 5.595 -5.112 1.00 0.00 N ATOM 1068 CA THR A 68 -3.765 6.463 -5.073 1.00 0.00 C ATOM 1069 C THR A 68 -3.368 7.928 -5.207 1.00 0.00 C ATOM 1070 O THR A 68 -2.501 8.416 -4.481 1.00 0.00 O ATOM 1071 CB THR A 68 -4.560 6.275 -3.767 1.00 0.00 C ATOM 1072 OG1 THR A 68 -5.016 4.922 -3.661 1.00 0.00 O ATOM 1073 CG2 THR A 68 -5.751 7.221 -3.718 1.00 0.00 C ATOM 0 H THR A 68 -1.978 5.683 -4.305 1.00 0.00 H new ATOM 0 HA THR A 68 -4.395 6.182 -5.917 1.00 0.00 H new ATOM 0 HB THR A 68 -3.900 6.502 -2.930 1.00 0.00 H new ATOM 0 HG1 THR A 68 -5.519 4.811 -2.827 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.297 7.070 -2.787 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.400 8.251 -3.770 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.410 7.020 -4.562 1.00 0.00 H new ATOM 1081 N CYS A 69 -4.007 8.627 -6.139 1.00 0.00 N ATOM 1082 CA CYS A 69 -3.721 10.038 -6.368 1.00 0.00 C ATOM 1083 C CYS A 69 -3.885 10.842 -5.082 1.00 0.00 C ATOM 1084 O CYS A 69 -4.325 10.316 -4.060 1.00 0.00 O ATOM 1085 CB CYS A 69 -4.644 10.597 -7.454 1.00 0.00 C ATOM 1086 SG CYS A 69 -3.997 12.083 -8.286 1.00 0.00 S ATOM 0 H CYS A 69 -4.727 8.239 -6.748 1.00 0.00 H new ATOM 0 HA CYS A 69 -2.686 10.124 -6.700 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -4.819 9.823 -8.201 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -5.610 10.835 -7.008 1.00 0.00 H new ATOM 0 HG CYS A 69 -4.912 13.006 -8.298 1.00 0.00 H new ATOM 1091 N SER A 70 -3.528 12.122 -5.141 1.00 0.00 N ATOM 1092 CA SER A 70 -3.632 12.998 -3.980 1.00 0.00 C ATOM 1093 C SER A 70 -4.657 14.102 -4.224 1.00 0.00 C ATOM 1094 O SER A 70 -4.828 14.999 -3.398 1.00 0.00 O ATOM 1095 CB SER A 70 -2.270 13.614 -3.656 1.00 0.00 C ATOM 1096 OG SER A 70 -2.370 14.542 -2.590 1.00 0.00 O ATOM 0 H SER A 70 -3.165 12.574 -5.980 1.00 0.00 H new ATOM 0 HA SER A 70 -3.963 12.399 -3.131 1.00 0.00 H new ATOM 0 HB2 SER A 70 -1.565 12.826 -3.391 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.873 14.113 -4.540 1.00 0.00 H new ATOM 0 HG SER A 70 -3.310 14.781 -2.452 1.00 0.00 H new ATOM 1102 N VAL A 71 -5.336 14.030 -5.364 1.00 0.00 N ATOM 1103 CA VAL A 71 -6.345 15.021 -5.717 1.00 0.00 C ATOM 1104 C VAL A 71 -7.676 14.356 -6.052 1.00 0.00 C ATOM 1105 O VAL A 71 -8.726 14.754 -5.546 1.00 0.00 O ATOM 1106 CB VAL A 71 -5.896 15.877 -6.916 1.00 0.00 C ATOM 1107 CG1 VAL A 71 -6.972 16.886 -7.286 1.00 0.00 C ATOM 1108 CG2 VAL A 71 -4.580 16.576 -6.608 1.00 0.00 C ATOM 0 H VAL A 71 -5.206 13.295 -6.059 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.473 15.665 -4.847 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.740 15.219 -7.771 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -6.636 17.481 -8.135 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -7.889 16.359 -7.552 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.164 17.542 -6.437 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.277 17.176 -7.466 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -4.706 17.222 -5.739 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.813 15.831 -6.398 1.00 0.00 H new ATOM 1118 N CYS A 72 -7.625 13.340 -6.907 1.00 0.00 N ATOM 1119 CA CYS A 72 -8.825 12.619 -7.310 1.00 0.00 C ATOM 1120 C CYS A 72 -8.800 11.185 -6.788 1.00 0.00 C ATOM 1121 O CYS A 72 -9.746 10.425 -6.987 1.00 0.00 O ATOM 1122 CB CYS A 72 -8.956 12.615 -8.834 1.00 0.00 C ATOM 1123 SG CYS A 72 -7.576 11.797 -9.697 1.00 0.00 S ATOM 0 H CYS A 72 -6.764 12.998 -7.334 1.00 0.00 H new ATOM 0 HA CYS A 72 -9.686 13.130 -6.879 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -9.887 12.118 -9.107 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -9.030 13.645 -9.184 1.00 0.00 H new ATOM 0 HG CYS A 72 -6.468 12.022 -9.055 1.00 0.00 H new ATOM 1128 N GLN A 73 -7.710 10.825 -6.118 1.00 0.00 N ATOM 1129 CA GLN A 73 -7.560 9.483 -5.567 1.00 0.00 C ATOM 1130 C GLN A 73 -7.609 8.433 -6.672 1.00 0.00 C ATOM 1131 O GLN A 73 -8.124 7.333 -6.473 1.00 0.00 O ATOM 1132 CB GLN A 73 -8.657 9.207 -4.537 1.00 0.00 C ATOM 1133 CG GLN A 73 -8.813 10.312 -3.504 1.00 0.00 C ATOM 1134 CD GLN A 73 -7.481 10.831 -2.999 1.00 0.00 C ATOM 1135 OE1 GLN A 73 -7.028 11.946 -3.561 1.00 0.00 O flip ATOM 1136 NE2 GLN A 73 -6.866 10.237 -2.113 1.00 0.00 N flip ATOM 0 H GLN A 73 -6.918 11.444 -5.944 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.588 9.425 -5.077 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -9.605 9.070 -5.056 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.436 8.271 -4.025 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -9.377 11.136 -3.941 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -9.396 9.938 -2.662 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -7.251 9.383 -1.709 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -5.971 10.599 -1.783 1.00 0.00 H new ATOM 1145 N GLU A 74 -7.070 8.780 -7.837 1.00 0.00 N ATOM 1146 CA GLU A 74 -7.054 7.867 -8.973 1.00 0.00 C ATOM 1147 C GLU A 74 -6.326 6.573 -8.621 1.00 0.00 C ATOM 1148 O GLU A 74 -5.866 6.392 -7.492 1.00 0.00 O ATOM 1149 CB GLU A 74 -6.384 8.530 -10.179 1.00 0.00 C ATOM 1150 CG GLU A 74 -6.968 8.097 -11.513 1.00 0.00 C ATOM 1151 CD GLU A 74 -8.469 7.896 -11.456 1.00 0.00 C ATOM 1152 OE1 GLU A 74 -8.907 6.793 -11.067 1.00 0.00 O ATOM 1153 OE2 GLU A 74 -9.208 8.843 -11.800 1.00 0.00 O ATOM 0 H GLU A 74 -6.639 9.687 -8.018 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.086 7.625 -9.227 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -6.476 9.612 -10.086 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -5.319 8.298 -10.166 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -6.734 8.848 -12.268 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -6.493 7.168 -11.829 1.00 0.00 H new ATOM 1160 N THR A 75 -6.224 5.674 -9.595 1.00 0.00 N ATOM 1161 CA THR A 75 -5.555 4.396 -9.388 1.00 0.00 C ATOM 1162 C THR A 75 -4.444 4.185 -10.412 1.00 0.00 C ATOM 1163 O THR A 75 -4.671 4.286 -11.618 1.00 0.00 O ATOM 1164 CB THR A 75 -6.547 3.221 -9.476 1.00 0.00 C ATOM 1165 OG1 THR A 75 -7.375 3.364 -10.635 1.00 0.00 O ATOM 1166 CG2 THR A 75 -7.417 3.154 -8.229 1.00 0.00 C ATOM 0 H THR A 75 -6.596 5.808 -10.535 1.00 0.00 H new ATOM 0 HA THR A 75 -5.124 4.424 -8.387 1.00 0.00 H new ATOM 0 HB THR A 75 -5.975 2.296 -9.552 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.819 3.601 -11.407 1.00 0.00 H new ATOM 0 HG21 THR A 75 -8.110 2.317 -8.313 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.785 3.015 -7.352 1.00 0.00 H new ATOM 0 HG23 THR A 75 -7.980 4.082 -8.128 1.00 0.00 H new ATOM 1174 N PHE A 76 -3.244 3.892 -9.923 1.00 0.00 N ATOM 1175 CA PHE A 76 -2.098 3.667 -10.796 1.00 0.00 C ATOM 1176 C PHE A 76 -1.341 2.407 -10.387 1.00 0.00 C ATOM 1177 O PHE A 76 -0.821 2.317 -9.274 1.00 0.00 O ATOM 1178 CB PHE A 76 -1.158 4.875 -10.760 1.00 0.00 C ATOM 1179 CG PHE A 76 -1.873 6.193 -10.848 1.00 0.00 C ATOM 1180 CD1 PHE A 76 -2.394 6.791 -9.712 1.00 0.00 C ATOM 1181 CD2 PHE A 76 -2.023 6.834 -12.067 1.00 0.00 C ATOM 1182 CE1 PHE A 76 -3.051 8.004 -9.790 1.00 0.00 C ATOM 1183 CE2 PHE A 76 -2.680 8.047 -12.151 1.00 0.00 C ATOM 1184 CZ PHE A 76 -3.195 8.632 -11.011 1.00 0.00 C ATOM 0 H PHE A 76 -3.040 3.805 -8.927 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.468 3.533 -11.812 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -0.578 4.846 -9.838 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.450 4.799 -11.585 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.285 6.303 -8.754 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.622 6.381 -12.962 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.451 8.460 -8.897 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.791 8.537 -13.107 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.710 9.579 -11.075 1.00 0.00 H new ATOM 1194 N ARG A 77 -1.284 1.437 -11.293 1.00 0.00 N ATOM 1195 CA ARG A 77 -0.592 0.182 -11.027 1.00 0.00 C ATOM 1196 C ARG A 77 0.841 0.437 -10.570 1.00 0.00 C ATOM 1197 O ARG A 77 1.394 -0.322 -9.774 1.00 0.00 O ATOM 1198 CB ARG A 77 -0.592 -0.700 -12.276 1.00 0.00 C ATOM 1199 CG ARG A 77 0.092 -0.060 -13.473 1.00 0.00 C ATOM 1200 CD ARG A 77 -0.858 0.848 -14.238 1.00 0.00 C ATOM 1201 NE ARG A 77 -0.529 0.912 -15.660 1.00 0.00 N ATOM 1202 CZ ARG A 77 -1.440 1.016 -16.621 1.00 0.00 C ATOM 1203 NH1 ARG A 77 -2.729 1.068 -16.315 1.00 0.00 N ATOM 1204 NH2 ARG A 77 -1.062 1.068 -17.892 1.00 0.00 N ATOM 0 H ARG A 77 -1.709 1.496 -12.218 1.00 0.00 H new ATOM 0 HA ARG A 77 -1.123 -0.334 -10.227 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.095 -1.642 -12.045 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -1.622 -0.939 -12.542 1.00 0.00 H new ATOM 0 HG2 ARG A 77 0.954 0.515 -13.136 1.00 0.00 H new ATOM 0 HG3 ARG A 77 0.468 -0.838 -14.138 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -1.879 0.487 -14.118 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -0.822 1.851 -13.812 1.00 0.00 H new ATOM 0 HE ARG A 77 0.454 0.875 -15.930 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -3.024 1.028 -15.339 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -3.426 1.148 -17.055 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -0.071 1.028 -18.131 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -1.762 1.148 -18.629 1.00 0.00 H new ATOM 1218 N ARG A 78 1.438 1.509 -11.082 1.00 0.00 N ATOM 1219 CA ARG A 78 2.807 1.862 -10.729 1.00 0.00 C ATOM 1220 C ARG A 78 2.874 3.276 -10.158 1.00 0.00 C ATOM 1221 O ARG A 78 1.904 4.031 -10.229 1.00 0.00 O ATOM 1222 CB ARG A 78 3.717 1.752 -11.953 1.00 0.00 C ATOM 1223 CG ARG A 78 3.738 0.365 -12.574 1.00 0.00 C ATOM 1224 CD ARG A 78 4.279 0.398 -13.995 1.00 0.00 C ATOM 1225 NE ARG A 78 3.398 1.131 -14.899 1.00 0.00 N ATOM 1226 CZ ARG A 78 3.384 0.954 -16.216 1.00 0.00 C ATOM 1227 NH1 ARG A 78 4.200 0.073 -16.778 1.00 0.00 N ATOM 1228 NH2 ARG A 78 2.553 1.659 -16.973 1.00 0.00 N ATOM 0 H ARG A 78 0.995 2.147 -11.742 1.00 0.00 H new ATOM 0 HA ARG A 78 3.150 1.163 -9.966 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.391 2.472 -12.704 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.732 2.028 -11.667 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.353 -0.298 -11.965 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.730 -0.049 -12.577 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.266 0.861 -13.996 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.404 -0.622 -14.359 1.00 0.00 H new ATOM 0 HE ARG A 78 2.758 1.817 -14.498 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.840 -0.471 -16.199 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.187 -0.061 -17.789 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.924 2.338 -16.544 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.543 1.522 -17.984 1.00 0.00 H new ATOM 1242 N ARG A 79 4.024 3.627 -9.592 1.00 0.00 N ATOM 1243 CA ARG A 79 4.216 4.948 -9.007 1.00 0.00 C ATOM 1244 C ARG A 79 4.430 5.997 -10.094 1.00 0.00 C ATOM 1245 O ARG A 79 3.627 6.917 -10.249 1.00 0.00 O ATOM 1246 CB ARG A 79 5.411 4.938 -8.052 1.00 0.00 C ATOM 1247 CG ARG A 79 5.817 6.321 -7.569 1.00 0.00 C ATOM 1248 CD ARG A 79 4.965 6.773 -6.393 1.00 0.00 C ATOM 1249 NE ARG A 79 5.657 7.754 -5.562 1.00 0.00 N ATOM 1250 CZ ARG A 79 5.229 8.135 -4.363 1.00 0.00 C ATOM 1251 NH1 ARG A 79 4.117 7.618 -3.858 1.00 0.00 N ATOM 1252 NH2 ARG A 79 5.914 9.033 -3.667 1.00 0.00 N ATOM 0 H ARG A 79 4.837 3.015 -9.526 1.00 0.00 H new ATOM 0 HA ARG A 79 3.316 5.205 -8.449 1.00 0.00 H new ATOM 0 HB2 ARG A 79 5.170 4.317 -7.189 1.00 0.00 H new ATOM 0 HB3 ARG A 79 6.261 4.473 -8.552 1.00 0.00 H new ATOM 0 HG2 ARG A 79 6.867 6.312 -7.277 1.00 0.00 H new ATOM 0 HG3 ARG A 79 5.720 7.036 -8.386 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.035 7.203 -6.763 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.697 5.908 -5.786 1.00 0.00 H new ATOM 0 HE ARG A 79 6.516 8.170 -5.922 1.00 0.00 H new ATOM 0 HH11 ARG A 79 3.589 6.927 -4.390 1.00 0.00 H new ATOM 0 HH12 ARG A 79 3.790 7.912 -2.938 1.00 0.00 H new ATOM 0 HH21 ARG A 79 6.770 9.432 -4.052 1.00 0.00 H new ATOM 0 HH22 ARG A 79 5.584 9.325 -2.747 1.00 0.00 H new ATOM 1266 N MET A 80 5.518 5.852 -10.844 1.00 0.00 N ATOM 1267 CA MET A 80 5.837 6.787 -11.917 1.00 0.00 C ATOM 1268 C MET A 80 4.569 7.256 -12.624 1.00 0.00 C ATOM 1269 O MET A 80 4.379 8.450 -12.850 1.00 0.00 O ATOM 1270 CB MET A 80 6.786 6.136 -12.924 1.00 0.00 C ATOM 1271 CG MET A 80 7.003 6.966 -14.179 1.00 0.00 C ATOM 1272 SD MET A 80 8.341 8.162 -13.998 1.00 0.00 S ATOM 1273 CE MET A 80 7.449 9.573 -13.351 1.00 0.00 C ATOM 0 H MET A 80 6.193 5.096 -10.728 1.00 0.00 H new ATOM 0 HA MET A 80 6.327 7.655 -11.476 1.00 0.00 H new ATOM 0 HB2 MET A 80 7.748 5.961 -12.443 1.00 0.00 H new ATOM 0 HB3 MET A 80 6.389 5.161 -13.207 1.00 0.00 H new ATOM 0 HG2 MET A 80 7.225 6.303 -15.015 1.00 0.00 H new ATOM 0 HG3 MET A 80 6.081 7.493 -14.426 1.00 0.00 H new ATOM 0 HE1 MET A 80 7.865 10.490 -13.769 1.00 0.00 H new ATOM 0 HE2 MET A 80 6.397 9.495 -13.624 1.00 0.00 H new ATOM 0 HE3 MET A 80 7.541 9.595 -12.265 1.00 0.00 H new ATOM 1283 N GLU A 81 3.705 6.306 -12.971 1.00 0.00 N ATOM 1284 CA GLU A 81 2.456 6.624 -13.654 1.00 0.00 C ATOM 1285 C GLU A 81 1.730 7.770 -12.956 1.00 0.00 C ATOM 1286 O GLU A 81 1.361 8.762 -13.587 1.00 0.00 O ATOM 1287 CB GLU A 81 1.551 5.391 -13.708 1.00 0.00 C ATOM 1288 CG GLU A 81 2.104 4.268 -14.571 1.00 0.00 C ATOM 1289 CD GLU A 81 2.451 4.727 -15.974 1.00 0.00 C ATOM 1290 OE1 GLU A 81 3.597 5.178 -16.183 1.00 0.00 O ATOM 1291 OE2 GLU A 81 1.578 4.636 -16.861 1.00 0.00 O ATOM 0 H GLU A 81 3.847 5.312 -12.791 1.00 0.00 H new ATOM 0 HA GLU A 81 2.697 6.935 -14.671 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.398 5.018 -12.695 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.573 5.684 -14.091 1.00 0.00 H new ATOM 0 HG2 GLU A 81 2.995 3.856 -14.097 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.371 3.463 -14.627 1.00 0.00 H new ATOM 1298 N LEU A 82 1.529 7.628 -11.651 1.00 0.00 N ATOM 1299 CA LEU A 82 0.847 8.651 -10.865 1.00 0.00 C ATOM 1300 C LEU A 82 1.523 10.008 -11.035 1.00 0.00 C ATOM 1301 O LEU A 82 0.857 11.043 -11.076 1.00 0.00 O ATOM 1302 CB LEU A 82 0.829 8.259 -9.387 1.00 0.00 C ATOM 1303 CG LEU A 82 0.498 9.378 -8.400 1.00 0.00 C ATOM 1304 CD1 LEU A 82 -0.924 9.874 -8.610 1.00 0.00 C ATOM 1305 CD2 LEU A 82 0.693 8.902 -6.968 1.00 0.00 C ATOM 0 H LEU A 82 1.829 6.814 -11.114 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.179 8.728 -11.226 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.103 7.457 -9.253 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.806 7.851 -9.128 1.00 0.00 H new ATOM 0 HG LEU A 82 1.180 10.208 -8.582 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -1.140 10.670 -7.898 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.030 10.256 -9.625 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.623 9.051 -8.458 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.453 9.712 -6.279 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.036 8.054 -6.774 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.730 8.599 -6.823 1.00 0.00 H new ATOM 1317 N ARG A 83 2.848 9.995 -11.135 1.00 0.00 N ATOM 1318 CA ARG A 83 3.614 11.225 -11.301 1.00 0.00 C ATOM 1319 C ARG A 83 3.244 11.923 -12.606 1.00 0.00 C ATOM 1320 O ARG A 83 3.053 13.139 -12.640 1.00 0.00 O ATOM 1321 CB ARG A 83 5.113 10.924 -11.278 1.00 0.00 C ATOM 1322 CG ARG A 83 5.561 10.153 -10.047 1.00 0.00 C ATOM 1323 CD ARG A 83 5.433 10.994 -8.787 1.00 0.00 C ATOM 1324 NE ARG A 83 6.380 10.581 -7.755 1.00 0.00 N ATOM 1325 CZ ARG A 83 6.822 11.388 -6.797 1.00 0.00 C ATOM 1326 NH1 ARG A 83 6.404 12.645 -6.740 1.00 0.00 N ATOM 1327 NH2 ARG A 83 7.684 10.939 -5.893 1.00 0.00 N ATOM 0 H ARG A 83 3.414 9.147 -11.104 1.00 0.00 H new ATOM 0 HA ARG A 83 3.371 11.890 -10.472 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.374 10.353 -12.169 1.00 0.00 H new ATOM 0 HB3 ARG A 83 5.664 11.863 -11.329 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.962 9.248 -9.945 1.00 0.00 H new ATOM 0 HG3 ARG A 83 6.597 9.837 -10.171 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.599 12.043 -9.033 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.417 10.914 -8.400 1.00 0.00 H new ATOM 0 HE ARG A 83 6.721 9.620 -7.771 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.742 12.994 -7.433 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.745 13.263 -6.003 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.008 9.973 -5.933 1.00 0.00 H new ATOM 0 HH22 ARG A 83 8.022 11.560 -5.158 1.00 0.00 H new ATOM 1341 N LEU A 84 3.145 11.146 -13.679 1.00 0.00 N ATOM 1342 CA LEU A 84 2.798 11.690 -14.988 1.00 0.00 C ATOM 1343 C LEU A 84 1.337 12.124 -15.028 1.00 0.00 C ATOM 1344 O LEU A 84 0.923 12.867 -15.918 1.00 0.00 O ATOM 1345 CB LEU A 84 3.063 10.651 -16.080 1.00 0.00 C ATOM 1346 CG LEU A 84 4.297 9.770 -15.883 1.00 0.00 C ATOM 1347 CD1 LEU A 84 4.415 8.757 -17.011 1.00 0.00 C ATOM 1348 CD2 LEU A 84 5.554 10.624 -15.797 1.00 0.00 C ATOM 0 H LEU A 84 3.300 10.138 -13.669 1.00 0.00 H new ATOM 0 HA LEU A 84 3.423 12.565 -15.167 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.189 10.005 -16.159 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.161 11.172 -17.033 1.00 0.00 H new ATOM 0 HG LEU A 84 4.186 9.227 -14.944 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.299 8.139 -16.854 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.528 8.124 -17.026 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.503 9.281 -17.963 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.422 9.980 -15.657 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.670 11.194 -16.719 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.471 11.310 -14.954 1.00 0.00 H new ATOM 1360 N HIS A 85 0.559 11.658 -14.055 1.00 0.00 N ATOM 1361 CA HIS A 85 -0.856 12.001 -13.977 1.00 0.00 C ATOM 1362 C HIS A 85 -1.060 13.289 -13.186 1.00 0.00 C ATOM 1363 O HIS A 85 -1.888 14.125 -13.546 1.00 0.00 O ATOM 1364 CB HIS A 85 -1.644 10.861 -13.330 1.00 0.00 C ATOM 1365 CG HIS A 85 -2.991 11.275 -12.825 1.00 0.00 C ATOM 1366 ND1 HIS A 85 -4.146 11.148 -13.569 1.00 0.00 N ATOM 1367 CD2 HIS A 85 -3.365 11.816 -11.642 1.00 0.00 C ATOM 1368 CE1 HIS A 85 -5.171 11.594 -12.865 1.00 0.00 C ATOM 1369 NE2 HIS A 85 -4.725 12.005 -11.692 1.00 0.00 N ATOM 0 H HIS A 85 0.885 11.042 -13.310 1.00 0.00 H new ATOM 0 HA HIS A 85 -1.223 12.156 -14.991 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -1.769 10.058 -14.057 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -1.064 10.454 -12.502 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -2.715 12.055 -10.813 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -6.200 11.618 -13.193 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -5.297 12.399 -10.945 1.00 0.00 H new ATOM 1377 N MET A 86 -0.301 13.441 -12.106 1.00 0.00 N ATOM 1378 CA MET A 86 -0.399 14.627 -11.264 1.00 0.00 C ATOM 1379 C MET A 86 -0.294 15.898 -12.101 1.00 0.00 C ATOM 1380 O MET A 86 -0.904 16.918 -11.779 1.00 0.00 O ATOM 1381 CB MET A 86 0.697 14.614 -10.197 1.00 0.00 C ATOM 1382 CG MET A 86 0.603 13.433 -9.244 1.00 0.00 C ATOM 1383 SD MET A 86 -0.238 13.849 -7.704 1.00 0.00 S ATOM 1384 CE MET A 86 -1.829 14.393 -8.323 1.00 0.00 C ATOM 0 H MET A 86 0.389 12.758 -11.793 1.00 0.00 H new ATOM 0 HA MET A 86 -1.373 14.614 -10.774 1.00 0.00 H new ATOM 0 HB2 MET A 86 1.670 14.598 -10.688 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.645 15.539 -9.623 1.00 0.00 H new ATOM 0 HG2 MET A 86 0.072 12.617 -9.734 1.00 0.00 H new ATOM 0 HG3 MET A 86 1.606 13.071 -9.019 1.00 0.00 H new ATOM 0 HE1 MET A 86 -2.559 14.379 -7.513 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.740 15.407 -8.713 1.00 0.00 H new ATOM 0 HE3 MET A 86 -2.157 13.725 -9.119 1.00 0.00 H new ATOM 1394 N VAL A 87 0.484 15.830 -13.177 1.00 0.00 N ATOM 1395 CA VAL A 87 0.668 16.975 -14.061 1.00 0.00 C ATOM 1396 C VAL A 87 -0.673 17.544 -14.510 1.00 0.00 C ATOM 1397 O VAL A 87 -0.805 18.748 -14.730 1.00 0.00 O ATOM 1398 CB VAL A 87 1.495 16.597 -15.304 1.00 0.00 C ATOM 1399 CG1 VAL A 87 2.730 15.804 -14.904 1.00 0.00 C ATOM 1400 CG2 VAL A 87 0.644 15.811 -16.290 1.00 0.00 C ATOM 0 H VAL A 87 0.997 14.994 -13.457 1.00 0.00 H new ATOM 0 HA VAL A 87 1.208 17.731 -13.491 1.00 0.00 H new ATOM 0 HB VAL A 87 1.824 17.514 -15.792 1.00 0.00 H new ATOM 0 HG11 VAL A 87 3.301 15.546 -15.796 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.349 16.405 -14.238 1.00 0.00 H new ATOM 0 HG13 VAL A 87 2.426 14.891 -14.391 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.244 15.552 -17.162 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.284 14.899 -15.814 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.206 16.418 -16.601 1.00 0.00 H new ATOM 1410 N SER A 88 -1.666 16.670 -14.642 1.00 0.00 N ATOM 1411 CA SER A 88 -2.997 17.085 -15.068 1.00 0.00 C ATOM 1412 C SER A 88 -3.646 17.988 -14.022 1.00 0.00 C ATOM 1413 O SER A 88 -4.468 18.844 -14.349 1.00 0.00 O ATOM 1414 CB SER A 88 -3.880 15.861 -15.320 1.00 0.00 C ATOM 1415 OG SER A 88 -4.228 15.225 -14.102 1.00 0.00 O ATOM 0 H SER A 88 -1.574 15.671 -14.460 1.00 0.00 H new ATOM 0 HA SER A 88 -2.895 17.648 -15.996 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.785 16.163 -15.848 1.00 0.00 H new ATOM 0 HB3 SER A 88 -3.355 15.156 -15.965 1.00 0.00 H new ATOM 0 HG SER A 88 -3.413 14.945 -13.635 1.00 0.00 H new ATOM 1421 N HIS A 89 -3.269 17.789 -12.763 1.00 0.00 N ATOM 1422 CA HIS A 89 -3.813 18.584 -11.668 1.00 0.00 C ATOM 1423 C HIS A 89 -3.073 19.913 -11.542 1.00 0.00 C ATOM 1424 O HIS A 89 -3.682 20.982 -11.584 1.00 0.00 O ATOM 1425 CB HIS A 89 -3.721 17.810 -10.353 1.00 0.00 C ATOM 1426 CG HIS A 89 -4.726 16.705 -10.237 1.00 0.00 C ATOM 1427 ND1 HIS A 89 -6.082 16.901 -10.397 1.00 0.00 N ATOM 1428 CD2 HIS A 89 -4.566 15.386 -9.978 1.00 0.00 C ATOM 1429 CE1 HIS A 89 -6.712 15.751 -10.239 1.00 0.00 C ATOM 1430 NE2 HIS A 89 -5.815 14.816 -9.984 1.00 0.00 N ATOM 0 H HIS A 89 -2.589 17.085 -12.476 1.00 0.00 H new ATOM 0 HA HIS A 89 -4.861 18.790 -11.887 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -2.719 17.391 -10.257 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -3.857 18.503 -9.523 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -3.630 14.877 -9.800 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -7.779 15.601 -10.307 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -6.017 13.830 -9.818 1.00 0.00 H new ATOM 1438 N THR A 90 -1.754 19.838 -11.387 1.00 0.00 N ATOM 1439 CA THR A 90 -0.932 21.034 -11.253 1.00 0.00 C ATOM 1440 C THR A 90 -0.883 21.817 -12.560 1.00 0.00 C ATOM 1441 O THR A 90 -0.903 23.047 -12.559 1.00 0.00 O ATOM 1442 CB THR A 90 0.505 20.682 -10.824 1.00 0.00 C ATOM 1443 OG1 THR A 90 1.295 21.873 -10.733 1.00 0.00 O ATOM 1444 CG2 THR A 90 1.144 19.718 -11.813 1.00 0.00 C ATOM 0 H THR A 90 -1.233 18.962 -11.351 1.00 0.00 H new ATOM 0 HA THR A 90 -1.393 21.650 -10.481 1.00 0.00 H new ATOM 0 HB THR A 90 0.461 20.200 -9.847 1.00 0.00 H new ATOM 0 HG1 THR A 90 2.207 21.641 -10.458 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.158 19.484 -11.489 1.00 0.00 H new ATOM 0 HG22 THR A 90 0.557 18.801 -11.858 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.175 20.178 -12.801 1.00 0.00 H new ATOM 1452 N GLY A 91 -0.819 21.095 -13.675 1.00 0.00 N ATOM 1453 CA GLY A 91 -0.769 21.740 -14.974 1.00 0.00 C ATOM 1454 C GLY A 91 0.381 21.240 -15.825 1.00 0.00 C ATOM 1455 O GLY A 91 0.182 20.823 -16.965 1.00 0.00 O ATOM 0 H GLY A 91 -0.801 20.076 -13.702 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.708 21.566 -15.499 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.675 22.817 -14.838 1.00 0.00 H new ATOM 1505 N TYR A 95 10.262 20.081 -13.796 1.00 0.00 N ATOM 1506 CA TYR A 95 11.468 20.024 -14.613 1.00 0.00 C ATOM 1507 C TYR A 95 11.120 19.835 -16.086 1.00 0.00 C ATOM 1508 O TYR A 95 10.114 19.210 -16.424 1.00 0.00 O ATOM 1509 CB TYR A 95 12.376 18.887 -14.141 1.00 0.00 C ATOM 1510 CG TYR A 95 12.786 19.001 -12.690 1.00 0.00 C ATOM 1511 CD1 TYR A 95 13.904 19.739 -12.320 1.00 0.00 C ATOM 1512 CD2 TYR A 95 12.056 18.371 -11.690 1.00 0.00 C ATOM 1513 CE1 TYR A 95 14.282 19.845 -10.996 1.00 0.00 C ATOM 1514 CE2 TYR A 95 12.427 18.473 -10.363 1.00 0.00 C ATOM 1515 CZ TYR A 95 13.541 19.211 -10.021 1.00 0.00 C ATOM 1516 OH TYR A 95 13.914 19.315 -8.700 1.00 0.00 O ATOM 0 HA TYR A 95 11.996 20.971 -14.502 1.00 0.00 H new ATOM 0 HB2 TYR A 95 11.863 17.937 -14.291 1.00 0.00 H new ATOM 0 HB3 TYR A 95 13.271 18.867 -14.762 1.00 0.00 H new ATOM 0 HD1 TYR A 95 14.487 20.238 -13.080 1.00 0.00 H new ATOM 0 HD2 TYR A 95 11.184 17.792 -11.954 1.00 0.00 H new ATOM 0 HE1 TYR A 95 15.154 20.422 -10.725 1.00 0.00 H new ATOM 0 HE2 TYR A 95 11.848 17.978 -9.598 1.00 0.00 H new ATOM 0 HH TYR A 95 13.286 18.811 -8.142 1.00 0.00 H new ATOM 1526 N LYS A 96 11.961 20.378 -16.960 1.00 0.00 N ATOM 1527 CA LYS A 96 11.746 20.269 -18.398 1.00 0.00 C ATOM 1528 C LYS A 96 13.071 20.324 -19.152 1.00 0.00 C ATOM 1529 O LYS A 96 14.034 20.938 -18.691 1.00 0.00 O ATOM 1530 CB LYS A 96 10.823 21.389 -18.883 1.00 0.00 C ATOM 1531 CG LYS A 96 9.351 21.013 -18.871 1.00 0.00 C ATOM 1532 CD LYS A 96 8.465 22.237 -18.716 1.00 0.00 C ATOM 1533 CE LYS A 96 8.511 22.783 -17.297 1.00 0.00 C ATOM 1534 NZ LYS A 96 8.281 24.253 -17.260 1.00 0.00 N ATOM 0 H LYS A 96 12.798 20.898 -16.697 1.00 0.00 H new ATOM 0 HA LYS A 96 11.275 19.307 -18.598 1.00 0.00 H new ATOM 0 HB2 LYS A 96 10.970 22.267 -18.254 1.00 0.00 H new ATOM 0 HB3 LYS A 96 11.109 21.671 -19.896 1.00 0.00 H new ATOM 0 HG2 LYS A 96 9.099 20.495 -19.796 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.159 20.318 -18.054 1.00 0.00 H new ATOM 0 HD2 LYS A 96 8.785 23.010 -19.415 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.438 21.979 -18.975 1.00 0.00 H new ATOM 0 HE2 LYS A 96 7.756 22.282 -16.691 1.00 0.00 H new ATOM 0 HE3 LYS A 96 9.480 22.556 -16.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 8.320 24.586 -16.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 9.016 24.733 -17.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 7.346 24.468 -17.661 1.00 0.00 H new ATOM 1548 N CYS A 97 13.112 19.682 -20.314 1.00 0.00 N ATOM 1549 CA CYS A 97 14.318 19.659 -21.133 1.00 0.00 C ATOM 1550 C CYS A 97 14.421 20.920 -21.986 1.00 0.00 C ATOM 1551 O CYS A 97 13.601 21.831 -21.866 1.00 0.00 O ATOM 1552 CB CYS A 97 14.326 18.421 -22.032 1.00 0.00 C ATOM 1553 SG CYS A 97 15.984 17.725 -22.325 1.00 0.00 S ATOM 0 H CYS A 97 12.324 19.170 -20.710 1.00 0.00 H new ATOM 0 HA CYS A 97 15.179 19.621 -20.466 1.00 0.00 H new ATOM 0 HB2 CYS A 97 13.696 17.654 -21.581 1.00 0.00 H new ATOM 0 HB3 CYS A 97 13.877 18.679 -22.991 1.00 0.00 H new ATOM 0 HG CYS A 97 16.769 18.043 -21.339 1.00 0.00 H new ATOM 1558 N SER A 98 15.432 20.965 -22.847 1.00 0.00 N ATOM 1559 CA SER A 98 15.645 22.116 -23.717 1.00 0.00 C ATOM 1560 C SER A 98 15.656 21.693 -25.183 1.00 0.00 C ATOM 1561 O SER A 98 15.026 22.328 -26.029 1.00 0.00 O ATOM 1562 CB SER A 98 16.961 22.813 -23.365 1.00 0.00 C ATOM 1563 OG SER A 98 18.065 21.947 -23.562 1.00 0.00 O ATOM 0 H SER A 98 16.117 20.218 -22.961 1.00 0.00 H new ATOM 0 HA SER A 98 14.822 22.814 -23.564 1.00 0.00 H new ATOM 0 HB2 SER A 98 17.080 23.705 -23.980 1.00 0.00 H new ATOM 0 HB3 SER A 98 16.935 23.144 -22.327 1.00 0.00 H new ATOM 0 HG SER A 98 18.894 22.416 -23.332 1.00 0.00 H new ATOM 1569 N SER A 99 16.378 20.616 -25.476 1.00 0.00 N ATOM 1570 CA SER A 99 16.476 20.110 -26.840 1.00 0.00 C ATOM 1571 C SER A 99 15.147 19.513 -27.295 1.00 0.00 C ATOM 1572 O SER A 99 14.663 19.807 -28.388 1.00 0.00 O ATOM 1573 CB SER A 99 17.581 19.056 -26.937 1.00 0.00 C ATOM 1574 OG SER A 99 18.825 19.650 -27.264 1.00 0.00 O ATOM 0 H SER A 99 16.903 20.077 -24.787 1.00 0.00 H new ATOM 0 HA SER A 99 16.722 20.946 -27.495 1.00 0.00 H new ATOM 0 HB2 SER A 99 17.666 18.525 -25.989 1.00 0.00 H new ATOM 0 HB3 SER A 99 17.317 18.317 -27.693 1.00 0.00 H new ATOM 0 HG SER A 99 19.515 18.956 -27.318 1.00 0.00 H new ATOM 1580 N CYS A 100 14.562 18.673 -26.448 1.00 0.00 N ATOM 1581 CA CYS A 100 13.290 18.034 -26.760 1.00 0.00 C ATOM 1582 C CYS A 100 12.147 18.691 -25.991 1.00 0.00 C ATOM 1583 O CYS A 100 10.976 18.498 -26.315 1.00 0.00 O ATOM 1584 CB CYS A 100 13.350 16.541 -26.428 1.00 0.00 C ATOM 1585 SG CYS A 100 13.380 16.177 -24.644 1.00 0.00 S ATOM 0 H CYS A 100 14.949 18.419 -25.539 1.00 0.00 H new ATOM 0 HA CYS A 100 13.104 18.156 -27.827 1.00 0.00 H new ATOM 0 HB2 CYS A 100 12.488 16.045 -26.875 1.00 0.00 H new ATOM 0 HB3 CYS A 100 14.239 16.112 -26.890 1.00 0.00 H new ATOM 0 HG CYS A 100 14.359 16.825 -24.085 1.00 0.00 H new ATOM 1590 N SER A 101 12.498 19.469 -24.972 1.00 0.00 N ATOM 1591 CA SER A 101 11.503 20.152 -24.154 1.00 0.00 C ATOM 1592 C SER A 101 10.640 19.148 -23.396 1.00 0.00 C ATOM 1593 O SER A 101 9.453 19.380 -23.169 1.00 0.00 O ATOM 1594 CB SER A 101 10.618 21.043 -25.028 1.00 0.00 C ATOM 1595 OG SER A 101 11.382 22.055 -25.661 1.00 0.00 O ATOM 0 H SER A 101 13.464 19.642 -24.693 1.00 0.00 H new ATOM 0 HA SER A 101 12.030 20.773 -23.429 1.00 0.00 H new ATOM 0 HB2 SER A 101 10.117 20.436 -25.782 1.00 0.00 H new ATOM 0 HB3 SER A 101 9.839 21.499 -24.417 1.00 0.00 H new ATOM 0 HG SER A 101 10.794 22.610 -26.215 1.00 0.00 H new ATOM 1601 N GLN A 102 11.247 18.031 -23.006 1.00 0.00 N ATOM 1602 CA GLN A 102 10.535 16.991 -22.274 1.00 0.00 C ATOM 1603 C GLN A 102 10.067 17.504 -20.916 1.00 0.00 C ATOM 1604 O GLN A 102 10.198 18.689 -20.612 1.00 0.00 O ATOM 1605 CB GLN A 102 11.431 15.764 -22.088 1.00 0.00 C ATOM 1606 CG GLN A 102 11.247 14.708 -23.166 1.00 0.00 C ATOM 1607 CD GLN A 102 10.166 13.703 -22.820 1.00 0.00 C ATOM 1608 OE1 GLN A 102 9.017 14.071 -22.570 1.00 0.00 O ATOM 1609 NE2 GLN A 102 10.527 12.426 -22.804 1.00 0.00 N ATOM 0 H GLN A 102 12.230 17.824 -23.185 1.00 0.00 H new ATOM 0 HA GLN A 102 9.658 16.707 -22.856 1.00 0.00 H new ATOM 0 HB2 GLN A 102 12.473 16.083 -22.078 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.225 15.318 -21.115 1.00 0.00 H new ATOM 0 HG2 GLN A 102 10.996 15.196 -24.108 1.00 0.00 H new ATOM 0 HG3 GLN A 102 12.190 14.183 -23.320 1.00 0.00 H new ATOM 0 HE21 GLN A 102 11.490 12.165 -23.017 1.00 0.00 H new ATOM 0 HE22 GLN A 102 9.842 11.705 -22.578 1.00 0.00 H new ATOM 1618 N GLN A 103 9.522 16.603 -20.105 1.00 0.00 N ATOM 1619 CA GLN A 103 9.034 16.966 -18.779 1.00 0.00 C ATOM 1620 C GLN A 103 9.365 15.880 -17.761 1.00 0.00 C ATOM 1621 O GLN A 103 9.312 14.689 -18.069 1.00 0.00 O ATOM 1622 CB GLN A 103 7.523 17.203 -18.817 1.00 0.00 C ATOM 1623 CG GLN A 103 7.108 18.341 -19.736 1.00 0.00 C ATOM 1624 CD GLN A 103 5.625 18.642 -19.659 1.00 0.00 C ATOM 1625 OE1 GLN A 103 4.897 18.489 -20.640 1.00 0.00 O ATOM 1626 NE2 GLN A 103 5.168 19.074 -18.490 1.00 0.00 N ATOM 0 H GLN A 103 9.407 15.618 -20.342 1.00 0.00 H new ATOM 0 HA GLN A 103 9.532 17.887 -18.475 1.00 0.00 H new ATOM 0 HB2 GLN A 103 7.028 16.287 -19.140 1.00 0.00 H new ATOM 0 HB3 GLN A 103 7.172 17.416 -17.807 1.00 0.00 H new ATOM 0 HG2 GLN A 103 7.671 19.237 -19.475 1.00 0.00 H new ATOM 0 HG3 GLN A 103 7.371 18.088 -20.763 1.00 0.00 H new ATOM 0 HE21 GLN A 103 5.807 19.186 -17.703 1.00 0.00 H new ATOM 0 HE22 GLN A 103 4.178 19.293 -18.379 1.00 0.00 H new ATOM 1635 N PHE A 104 9.706 16.298 -16.547 1.00 0.00 N ATOM 1636 CA PHE A 104 10.047 15.361 -15.483 1.00 0.00 C ATOM 1637 C PHE A 104 9.623 15.906 -14.122 1.00 0.00 C ATOM 1638 O PHE A 104 9.409 17.107 -13.962 1.00 0.00 O ATOM 1639 CB PHE A 104 11.551 15.079 -15.486 1.00 0.00 C ATOM 1640 CG PHE A 104 12.097 14.753 -16.847 1.00 0.00 C ATOM 1641 CD1 PHE A 104 12.224 15.740 -17.811 1.00 0.00 C ATOM 1642 CD2 PHE A 104 12.483 13.460 -17.162 1.00 0.00 C ATOM 1643 CE1 PHE A 104 12.726 15.442 -19.064 1.00 0.00 C ATOM 1644 CE2 PHE A 104 12.986 13.157 -18.413 1.00 0.00 C ATOM 1645 CZ PHE A 104 13.108 14.150 -19.365 1.00 0.00 C ATOM 0 H PHE A 104 9.754 17.280 -16.275 1.00 0.00 H new ATOM 0 HA PHE A 104 9.509 14.431 -15.666 1.00 0.00 H new ATOM 0 HB2 PHE A 104 12.076 15.949 -15.091 1.00 0.00 H new ATOM 0 HB3 PHE A 104 11.758 14.248 -14.812 1.00 0.00 H new ATOM 0 HD1 PHE A 104 11.928 16.753 -17.581 1.00 0.00 H new ATOM 0 HD2 PHE A 104 12.390 12.680 -16.421 1.00 0.00 H new ATOM 0 HE1 PHE A 104 12.819 16.220 -19.807 1.00 0.00 H new ATOM 0 HE2 PHE A 104 13.283 12.145 -18.646 1.00 0.00 H new ATOM 0 HZ PHE A 104 13.502 13.916 -20.343 1.00 0.00 H new ATOM 1655 N MET A 105 9.504 15.013 -13.145 1.00 0.00 N ATOM 1656 CA MET A 105 9.106 15.403 -11.798 1.00 0.00 C ATOM 1657 C MET A 105 10.322 15.520 -10.885 1.00 0.00 C ATOM 1658 O MET A 105 10.292 16.239 -9.886 1.00 0.00 O ATOM 1659 CB MET A 105 8.116 14.389 -11.221 1.00 0.00 C ATOM 1660 CG MET A 105 6.669 14.675 -11.588 1.00 0.00 C ATOM 1661 SD MET A 105 6.097 16.267 -10.964 1.00 0.00 S ATOM 1662 CE MET A 105 4.937 16.736 -12.246 1.00 0.00 C ATOM 0 H MET A 105 9.678 14.015 -13.261 1.00 0.00 H new ATOM 0 HA MET A 105 8.622 16.378 -11.857 1.00 0.00 H new ATOM 0 HB2 MET A 105 8.382 13.393 -11.575 1.00 0.00 H new ATOM 0 HB3 MET A 105 8.211 14.378 -10.135 1.00 0.00 H new ATOM 0 HG2 MET A 105 6.562 14.654 -12.673 1.00 0.00 H new ATOM 0 HG3 MET A 105 6.034 13.884 -11.190 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.632 17.772 -12.099 1.00 0.00 H new ATOM 0 HE2 MET A 105 5.412 16.632 -13.222 1.00 0.00 H new ATOM 0 HE3 MET A 105 4.061 16.090 -12.198 1.00 0.00 H new ATOM 1672 N GLN A 106 11.389 14.809 -11.234 1.00 0.00 N ATOM 1673 CA GLN A 106 12.615 14.834 -10.444 1.00 0.00 C ATOM 1674 C GLN A 106 13.771 15.415 -11.251 1.00 0.00 C ATOM 1675 O GLN A 106 13.764 15.378 -12.482 1.00 0.00 O ATOM 1676 CB GLN A 106 12.967 13.424 -9.967 1.00 0.00 C ATOM 1677 CG GLN A 106 11.784 12.663 -9.391 1.00 0.00 C ATOM 1678 CD GLN A 106 12.193 11.675 -8.316 1.00 0.00 C ATOM 1679 OE1 GLN A 106 12.869 10.684 -8.592 1.00 0.00 O ATOM 1680 NE2 GLN A 106 11.784 11.941 -7.081 1.00 0.00 N ATOM 0 H GLN A 106 11.430 14.209 -12.058 1.00 0.00 H new ATOM 0 HA GLN A 106 12.446 15.472 -9.576 1.00 0.00 H new ATOM 0 HB2 GLN A 106 13.379 12.859 -10.803 1.00 0.00 H new ATOM 0 HB3 GLN A 106 13.749 13.490 -9.210 1.00 0.00 H new ATOM 0 HG2 GLN A 106 11.069 13.372 -8.974 1.00 0.00 H new ATOM 0 HG3 GLN A 106 11.274 12.130 -10.194 1.00 0.00 H new ATOM 0 HE21 GLN A 106 11.225 12.774 -6.897 1.00 0.00 H new ATOM 0 HE22 GLN A 106 12.029 11.312 -6.316 1.00 0.00 H new ATOM 1689 N LYS A 107 14.764 15.951 -10.550 1.00 0.00 N ATOM 1690 CA LYS A 107 15.929 16.539 -11.201 1.00 0.00 C ATOM 1691 C LYS A 107 16.815 15.458 -11.811 1.00 0.00 C ATOM 1692 O LYS A 107 17.198 15.540 -12.979 1.00 0.00 O ATOM 1693 CB LYS A 107 16.735 17.368 -10.197 1.00 0.00 C ATOM 1694 CG LYS A 107 17.863 18.163 -10.832 1.00 0.00 C ATOM 1695 CD LYS A 107 18.575 19.034 -9.810 1.00 0.00 C ATOM 1696 CE LYS A 107 19.462 20.070 -10.483 1.00 0.00 C ATOM 1697 NZ LYS A 107 20.510 20.586 -9.559 1.00 0.00 N ATOM 0 H LYS A 107 14.786 15.990 -9.531 1.00 0.00 H new ATOM 0 HA LYS A 107 15.577 17.190 -12.002 1.00 0.00 H new ATOM 0 HB2 LYS A 107 16.063 18.055 -9.683 1.00 0.00 H new ATOM 0 HB3 LYS A 107 17.151 16.703 -9.441 1.00 0.00 H new ATOM 0 HG2 LYS A 107 18.578 17.480 -11.290 1.00 0.00 H new ATOM 0 HG3 LYS A 107 17.464 18.789 -11.630 1.00 0.00 H new ATOM 0 HD2 LYS A 107 17.839 19.536 -9.182 1.00 0.00 H new ATOM 0 HD3 LYS A 107 19.179 18.407 -9.154 1.00 0.00 H new ATOM 0 HE2 LYS A 107 19.936 19.628 -11.359 1.00 0.00 H new ATOM 0 HE3 LYS A 107 18.849 20.899 -10.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 21.094 21.290 -10.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 20.058 21.030 -8.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 21.111 19.799 -9.242 1.00 0.00 H new ATOM 1711 N LYS A 108 17.138 14.444 -11.015 1.00 0.00 N ATOM 1712 CA LYS A 108 17.976 13.345 -11.477 1.00 0.00 C ATOM 1713 C LYS A 108 17.380 12.690 -12.719 1.00 0.00 C ATOM 1714 O LYS A 108 18.106 12.269 -13.620 1.00 0.00 O ATOM 1715 CB LYS A 108 18.143 12.303 -10.369 1.00 0.00 C ATOM 1716 CG LYS A 108 16.859 11.567 -10.028 1.00 0.00 C ATOM 1717 CD LYS A 108 17.136 10.296 -9.243 1.00 0.00 C ATOM 1718 CE LYS A 108 15.989 9.961 -8.302 1.00 0.00 C ATOM 1719 NZ LYS A 108 16.148 10.620 -6.976 1.00 0.00 N ATOM 0 H LYS A 108 16.831 14.361 -10.046 1.00 0.00 H new ATOM 0 HA LYS A 108 18.954 13.752 -11.736 1.00 0.00 H new ATOM 0 HB2 LYS A 108 18.897 11.578 -10.674 1.00 0.00 H new ATOM 0 HB3 LYS A 108 18.519 12.796 -9.472 1.00 0.00 H new ATOM 0 HG2 LYS A 108 16.208 12.220 -9.447 1.00 0.00 H new ATOM 0 HG3 LYS A 108 16.326 11.320 -10.946 1.00 0.00 H new ATOM 0 HD2 LYS A 108 17.295 9.468 -9.934 1.00 0.00 H new ATOM 0 HD3 LYS A 108 18.056 10.414 -8.670 1.00 0.00 H new ATOM 0 HE2 LYS A 108 15.047 10.274 -8.752 1.00 0.00 H new ATOM 0 HE3 LYS A 108 15.934 8.881 -8.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 15.346 10.367 -6.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 17.034 10.302 -6.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 16.175 11.652 -7.102 1.00 0.00 H new ATOM 1733 N ASP A 109 16.055 12.610 -12.761 1.00 0.00 N ATOM 1734 CA ASP A 109 15.360 12.009 -13.895 1.00 0.00 C ATOM 1735 C ASP A 109 15.675 12.760 -15.185 1.00 0.00 C ATOM 1736 O ASP A 109 15.805 12.157 -16.251 1.00 0.00 O ATOM 1737 CB ASP A 109 13.851 12.002 -13.650 1.00 0.00 C ATOM 1738 CG ASP A 109 13.160 10.834 -14.327 1.00 0.00 C ATOM 1739 OD1 ASP A 109 13.660 10.377 -15.376 1.00 0.00 O ATOM 1740 OD2 ASP A 109 12.119 10.378 -13.808 1.00 0.00 O ATOM 0 H ASP A 109 15.440 12.953 -12.023 1.00 0.00 H new ATOM 0 HA ASP A 109 15.708 10.981 -14.000 1.00 0.00 H new ATOM 0 HB2 ASP A 109 13.660 11.961 -12.578 1.00 0.00 H new ATOM 0 HB3 ASP A 109 13.422 12.935 -14.015 1.00 0.00 H new ATOM 1745 N LEU A 110 15.796 14.079 -15.081 1.00 0.00 N ATOM 1746 CA LEU A 110 16.095 14.913 -16.240 1.00 0.00 C ATOM 1747 C LEU A 110 17.566 14.799 -16.628 1.00 0.00 C ATOM 1748 O LEU A 110 17.894 14.583 -17.794 1.00 0.00 O ATOM 1749 CB LEU A 110 15.745 16.373 -15.946 1.00 0.00 C ATOM 1750 CG LEU A 110 16.272 17.404 -16.945 1.00 0.00 C ATOM 1751 CD1 LEU A 110 15.755 17.105 -18.343 1.00 0.00 C ATOM 1752 CD2 LEU A 110 15.878 18.810 -16.517 1.00 0.00 C ATOM 0 H LEU A 110 15.692 14.594 -14.207 1.00 0.00 H new ATOM 0 HA LEU A 110 15.490 14.562 -17.076 1.00 0.00 H new ATOM 0 HB2 LEU A 110 14.660 16.463 -15.900 1.00 0.00 H new ATOM 0 HB3 LEU A 110 16.128 16.626 -14.957 1.00 0.00 H new ATOM 0 HG LEU A 110 17.360 17.343 -16.962 1.00 0.00 H new ATOM 0 HD11 LEU A 110 16.140 17.849 -19.040 1.00 0.00 H new ATOM 0 HD12 LEU A 110 16.088 16.113 -18.650 1.00 0.00 H new ATOM 0 HD13 LEU A 110 14.665 17.138 -18.343 1.00 0.00 H new ATOM 0 HD21 LEU A 110 16.261 19.531 -17.239 1.00 0.00 H new ATOM 0 HD22 LEU A 110 14.792 18.885 -16.471 1.00 0.00 H new ATOM 0 HD23 LEU A 110 16.299 19.022 -15.534 1.00 0.00 H new ATOM 1764 N GLN A 111 18.445 14.945 -15.642 1.00 0.00 N ATOM 1765 CA GLN A 111 19.881 14.858 -15.881 1.00 0.00 C ATOM 1766 C GLN A 111 20.233 13.569 -16.617 1.00 0.00 C ATOM 1767 O GLN A 111 20.927 13.592 -17.633 1.00 0.00 O ATOM 1768 CB GLN A 111 20.645 14.928 -14.558 1.00 0.00 C ATOM 1769 CG GLN A 111 20.498 16.261 -13.841 1.00 0.00 C ATOM 1770 CD GLN A 111 21.715 16.613 -13.009 1.00 0.00 C ATOM 1771 OE1 GLN A 111 22.719 15.900 -13.023 1.00 0.00 O ATOM 1772 NE2 GLN A 111 21.632 17.718 -12.277 1.00 0.00 N ATOM 0 H GLN A 111 18.189 15.124 -14.671 1.00 0.00 H new ATOM 0 HA GLN A 111 20.172 15.703 -16.505 1.00 0.00 H new ATOM 0 HB2 GLN A 111 20.294 14.131 -13.902 1.00 0.00 H new ATOM 0 HB3 GLN A 111 21.702 14.741 -14.748 1.00 0.00 H new ATOM 0 HG2 GLN A 111 20.325 17.047 -14.576 1.00 0.00 H new ATOM 0 HG3 GLN A 111 19.619 16.228 -13.197 1.00 0.00 H new ATOM 0 HE21 GLN A 111 20.780 18.279 -12.296 1.00 0.00 H new ATOM 0 HE22 GLN A 111 22.420 18.005 -11.696 1.00 0.00 H new ATOM 1781 N SER A 112 19.749 12.445 -16.097 1.00 0.00 N ATOM 1782 CA SER A 112 20.015 11.146 -16.701 1.00 0.00 C ATOM 1783 C SER A 112 19.428 11.070 -18.108 1.00 0.00 C ATOM 1784 O SER A 112 20.031 10.496 -19.015 1.00 0.00 O ATOM 1785 CB SER A 112 19.436 10.027 -15.834 1.00 0.00 C ATOM 1786 OG SER A 112 20.118 8.805 -16.054 1.00 0.00 O ATOM 0 H SER A 112 19.170 12.409 -15.258 1.00 0.00 H new ATOM 0 HA SER A 112 21.096 11.020 -16.769 1.00 0.00 H new ATOM 0 HB2 SER A 112 19.509 10.303 -14.782 1.00 0.00 H new ATOM 0 HB3 SER A 112 18.377 9.901 -16.058 1.00 0.00 H new ATOM 0 HG SER A 112 19.730 8.107 -15.487 1.00 0.00 H new ATOM 1792 N HIS A 113 18.246 11.654 -18.281 1.00 0.00 N ATOM 1793 CA HIS A 113 17.576 11.654 -19.576 1.00 0.00 C ATOM 1794 C HIS A 113 18.392 12.424 -20.610 1.00 0.00 C ATOM 1795 O HIS A 113 18.484 12.020 -21.769 1.00 0.00 O ATOM 1796 CB HIS A 113 16.181 12.266 -19.452 1.00 0.00 C ATOM 1797 CG HIS A 113 15.700 12.921 -20.710 1.00 0.00 C ATOM 1798 ND1 HIS A 113 15.884 14.176 -21.181 1.00 0.00 N flip ATOM 1799 CD2 HIS A 113 14.928 12.270 -21.650 1.00 0.00 C flip ATOM 1800 CE1 HIS A 113 15.228 14.261 -22.385 1.00 0.00 C flip ATOM 1801 NE2 HIS A 113 14.660 13.097 -22.645 1.00 0.00 N flip ATOM 0 H HIS A 113 17.733 12.133 -17.541 1.00 0.00 H new ATOM 0 HA HIS A 113 17.483 10.620 -19.909 1.00 0.00 H new ATOM 0 HB2 HIS A 113 15.475 11.486 -19.166 1.00 0.00 H new ATOM 0 HB3 HIS A 113 16.186 13.002 -18.648 1.00 0.00 H new ATOM 0 HD2 HIS A 113 14.595 11.245 -21.583 1.00 0.00 H new ATOM 0 HE1 HIS A 113 15.184 15.136 -23.016 1.00 0.00 H new ATOM 0 HE2 HIS A 113 14.108 12.874 -23.473 1.00 0.00 H new ATOM 1809 N MET A 114 18.983 13.535 -20.182 1.00 0.00 N ATOM 1810 CA MET A 114 19.791 14.361 -21.071 1.00 0.00 C ATOM 1811 C MET A 114 21.159 13.728 -21.308 1.00 0.00 C ATOM 1812 O MET A 114 21.740 13.868 -22.384 1.00 0.00 O ATOM 1813 CB MET A 114 19.960 15.765 -20.486 1.00 0.00 C ATOM 1814 CG MET A 114 18.644 16.490 -20.256 1.00 0.00 C ATOM 1815 SD MET A 114 18.839 18.281 -20.201 1.00 0.00 S ATOM 1816 CE MET A 114 19.155 18.641 -21.926 1.00 0.00 C ATOM 0 H MET A 114 18.917 13.884 -19.226 1.00 0.00 H new ATOM 0 HA MET A 114 19.273 14.434 -22.027 1.00 0.00 H new ATOM 0 HB2 MET A 114 20.496 15.693 -19.540 1.00 0.00 H new ATOM 0 HB3 MET A 114 20.579 16.358 -21.159 1.00 0.00 H new ATOM 0 HG2 MET A 114 17.946 16.229 -21.051 1.00 0.00 H new ATOM 0 HG3 MET A 114 18.204 16.147 -19.320 1.00 0.00 H new ATOM 0 HE1 MET A 114 20.172 19.016 -22.039 1.00 0.00 H new ATOM 0 HE2 MET A 114 19.036 17.732 -22.515 1.00 0.00 H new ATOM 0 HE3 MET A 114 18.450 19.395 -22.276 1.00 0.00 H new ATOM 1826 N ILE A 115 21.667 13.034 -20.295 1.00 0.00 N ATOM 1827 CA ILE A 115 22.966 12.379 -20.394 1.00 0.00 C ATOM 1828 C ILE A 115 22.873 11.093 -21.209 1.00 0.00 C ATOM 1829 O ILE A 115 23.834 10.689 -21.863 1.00 0.00 O ATOM 1830 CB ILE A 115 23.539 12.052 -19.003 1.00 0.00 C ATOM 1831 CG1 ILE A 115 23.796 13.339 -18.217 1.00 0.00 C ATOM 1832 CG2 ILE A 115 24.819 11.240 -19.134 1.00 0.00 C ATOM 1833 CD1 ILE A 115 23.654 13.173 -16.721 1.00 0.00 C ATOM 0 H ILE A 115 21.199 12.911 -19.397 1.00 0.00 H new ATOM 0 HA ILE A 115 23.634 13.078 -20.898 1.00 0.00 H new ATOM 0 HB ILE A 115 22.808 11.455 -18.457 1.00 0.00 H new ATOM 0 HG12 ILE A 115 24.801 13.697 -18.441 1.00 0.00 H new ATOM 0 HG13 ILE A 115 23.101 14.107 -18.557 1.00 0.00 H new ATOM 0 HG21 ILE A 115 25.212 11.017 -18.142 1.00 0.00 H new ATOM 0 HG22 ILE A 115 24.607 10.308 -19.658 1.00 0.00 H new ATOM 0 HG23 ILE A 115 25.557 11.812 -19.696 1.00 0.00 H new ATOM 0 HD11 ILE A 115 23.850 14.126 -16.229 1.00 0.00 H new ATOM 0 HD12 ILE A 115 22.641 12.845 -16.486 1.00 0.00 H new ATOM 0 HD13 ILE A 115 24.368 12.429 -16.368 1.00 0.00 H new ATOM 1845 N LYS A 116 21.708 10.455 -21.166 1.00 0.00 N ATOM 1846 CA LYS A 116 21.486 9.216 -21.902 1.00 0.00 C ATOM 1847 C LYS A 116 21.027 9.505 -23.327 1.00 0.00 C ATOM 1848 O LYS A 116 21.669 9.089 -24.293 1.00 0.00 O ATOM 1849 CB LYS A 116 20.446 8.352 -21.185 1.00 0.00 C ATOM 1850 CG LYS A 116 21.040 7.432 -20.133 1.00 0.00 C ATOM 1851 CD LYS A 116 21.397 8.191 -18.865 1.00 0.00 C ATOM 1852 CE LYS A 116 22.432 7.443 -18.040 1.00 0.00 C ATOM 1853 NZ LYS A 116 23.303 8.372 -17.268 1.00 0.00 N ATOM 0 H LYS A 116 20.903 10.776 -20.629 1.00 0.00 H new ATOM 0 HA LYS A 116 22.431 8.674 -21.946 1.00 0.00 H new ATOM 0 HB2 LYS A 116 19.709 9.002 -20.713 1.00 0.00 H new ATOM 0 HB3 LYS A 116 19.914 7.751 -21.923 1.00 0.00 H new ATOM 0 HG2 LYS A 116 20.328 6.641 -19.896 1.00 0.00 H new ATOM 0 HG3 LYS A 116 21.932 6.949 -20.532 1.00 0.00 H new ATOM 0 HD2 LYS A 116 21.782 9.177 -19.126 1.00 0.00 H new ATOM 0 HD3 LYS A 116 20.498 8.347 -18.268 1.00 0.00 H new ATOM 0 HE2 LYS A 116 21.927 6.764 -17.353 1.00 0.00 H new ATOM 0 HE3 LYS A 116 23.048 6.831 -18.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 23.995 7.823 -16.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 23.805 9.004 -17.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 22.719 8.939 -16.621 1.00 0.00 H new ATOM 1867 N LEU A 117 19.915 10.221 -23.452 1.00 0.00 N ATOM 1868 CA LEU A 117 19.371 10.567 -24.761 1.00 0.00 C ATOM 1869 C LEU A 117 20.185 11.681 -25.412 1.00 0.00 C ATOM 1870 O LEU A 117 20.675 11.533 -26.531 1.00 0.00 O ATOM 1871 CB LEU A 117 17.909 10.998 -24.630 1.00 0.00 C ATOM 1872 CG LEU A 117 16.995 10.044 -23.859 1.00 0.00 C ATOM 1873 CD1 LEU A 117 15.544 10.248 -24.268 1.00 0.00 C ATOM 1874 CD2 LEU A 117 17.417 8.600 -24.088 1.00 0.00 C ATOM 0 H LEU A 117 19.372 10.573 -22.663 1.00 0.00 H new ATOM 0 HA LEU A 117 19.427 9.683 -25.396 1.00 0.00 H new ATOM 0 HB2 LEU A 117 17.880 11.972 -24.141 1.00 0.00 H new ATOM 0 HB3 LEU A 117 17.499 11.132 -25.631 1.00 0.00 H new ATOM 0 HG LEU A 117 17.086 10.264 -22.795 1.00 0.00 H new ATOM 0 HD11 LEU A 117 14.908 9.561 -23.709 1.00 0.00 H new ATOM 0 HD12 LEU A 117 15.246 11.274 -24.053 1.00 0.00 H new ATOM 0 HD13 LEU A 117 15.436 10.055 -25.335 1.00 0.00 H new ATOM 0 HD21 LEU A 117 16.756 7.935 -23.532 1.00 0.00 H new ATOM 0 HD22 LEU A 117 17.355 8.367 -25.151 1.00 0.00 H new ATOM 0 HD23 LEU A 117 18.442 8.462 -23.745 1.00 0.00 H new ATOM 1886 N HIS A 118 20.326 12.796 -24.702 1.00 0.00 N ATOM 1887 CA HIS A 118 21.083 13.934 -25.209 1.00 0.00 C ATOM 1888 C HIS A 118 22.550 13.835 -24.803 1.00 0.00 C ATOM 1889 O HIS A 118 23.194 14.844 -24.514 1.00 0.00 O ATOM 1890 CB HIS A 118 20.486 15.243 -24.691 1.00 0.00 C ATOM 1891 CG HIS A 118 19.042 15.425 -25.047 1.00 0.00 C ATOM 1892 ND1 HIS A 118 18.570 15.346 -26.340 1.00 0.00 N ATOM 1893 CD2 HIS A 118 17.964 15.681 -24.269 1.00 0.00 C ATOM 1894 CE1 HIS A 118 17.264 15.547 -26.342 1.00 0.00 C ATOM 1895 NE2 HIS A 118 16.872 15.753 -25.098 1.00 0.00 N ATOM 0 H HIS A 118 19.926 12.935 -23.774 1.00 0.00 H new ATOM 0 HA HIS A 118 21.024 13.922 -26.297 1.00 0.00 H new ATOM 0 HB2 HIS A 118 20.591 15.277 -23.607 1.00 0.00 H new ATOM 0 HB3 HIS A 118 21.059 16.078 -25.093 1.00 0.00 H new ATOM 0 HD2 HIS A 118 17.963 15.805 -23.196 1.00 0.00 H new ATOM 0 HE1 HIS A 118 16.626 15.543 -27.213 1.00 0.00 H new ATOM 0 HE2 HIS A 118 15.913 15.936 -24.801 1.00 0.00 H new