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 97 CYS SG : rot 29:sc= 1.11 USER MOD Set 1.2: A 100 CYS SG : rot -55:sc= -4.61! USER MOD Set 1.3: A 113 HIS :FLIP no HD1:sc= -3.07 F(o=-8.1!,f=-6.9) USER MOD Set 1.4: A 114 MET CE :methyl -115:sc= -0.191 (180deg=-0.798) USER MOD Set 1.5: A 118 HIS : no HD1:sc= -0.167 K(o=-6.9,f=-8.2) USER MOD Set 2.1: A 69 CYS SG : rot -130:sc= 0.208 USER MOD Set 2.2: A 70 SER OG : rot -104:sc= 0.271 USER MOD Set 2.3: A 72 CYS SG : rot -38:sc= -1.91! USER MOD Set 2.4: A 85 HIS :FLIP no HE2:sc= -2.07 F(o=-12,f=-11) USER MOD Set 2.5: A 86 MET CE :methyl -117:sc= -4.18! (180deg=-2.85!) USER MOD Set 2.6: A 89 HIS : no HD1:sc= -3.17! C(o=-11!,f=-14!) USER MOD Set 3.1: A 38 CYS SG : rot -30:sc= -1.04 USER MOD Set 3.2: A 41 CYS SG : rot -65:sc= -1.29 USER MOD Set 3.3: A 54 HIS : no HD1:sc= -1.35 K(o=-3.7,f=-4.2) USER MOD Set 4.1: A 10 CYS SG : rot 162:sc= 0.721 USER MOD Set 4.2: A 12 THR OG1 : rot 90:sc= 0.158 USER MOD Set 4.3: A 13 CYS SG : rot -44:sc= -2.19! USER MOD Set 4.4: A 26 HIS : no HE2:sc= -3.1 K(o=-4.4,f=-5.6) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.516) USER MOD Single : A 19 SER OG : rot 180:sc= 0.0748 USER MOD Single : A 20 LYS NZ :NH3+ -122:sc=-0.00774 (180deg=-1.59!) 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= -0.0239 X(o=-0.024,f=-0.3) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -147:sc= -0.149 (180deg=-1.95!) USER MOD Single : A 44 CYS SG : rot 31:sc= 0.764 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.0175 X(o=-0.018,f=0) USER MOD Single : A 58 ASN : amide:sc= -0.68 K(o=-0.68,f=-2.9!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.247 X(o=-0.25,f=-0.13) USER MOD Single : A 75 THR OG1 : rot 43:sc= 0.0533 USER MOD Single : A 80 MET CE :methyl -138:sc= -0.865 (180deg=-4.1!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= -0.0338 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -62:sc= 0.99 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 103 GLN : amide:sc= -0.115 X(o=-0.11,f=0) USER MOD Single : A 105 MET CE :methyl 161:sc= -1.14 (180deg=-1.16) USER MOD Single : A 106 GLN : amide:sc= -0.0415 X(o=-0.041,f=-0.28) 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= -0.5 K(o=-0.5,f=-2.4!) USER MOD Single : A 112 SER OG : rot 180:sc= -0.637 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 3.916 5.843 12.438 1.00 0.00 N ATOM 60 CA GLY A 7 2.973 4.740 12.471 1.00 0.00 C ATOM 61 C GLY A 7 1.992 4.781 11.316 1.00 0.00 C ATOM 62 O GLY A 7 2.018 5.705 10.503 1.00 0.00 O ATOM 0 HA2 GLY A 7 3.520 3.798 12.446 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.423 4.764 13.412 1.00 0.00 H new ATOM 66 N VAL A 8 1.125 3.776 11.242 1.00 0.00 N ATOM 67 CA VAL A 8 0.132 3.701 10.178 1.00 0.00 C ATOM 68 C VAL A 8 -1.073 4.582 10.487 1.00 0.00 C ATOM 69 O VAL A 8 -1.186 5.133 11.581 1.00 0.00 O ATOM 70 CB VAL A 8 -0.347 2.253 9.959 1.00 0.00 C ATOM 71 CG1 VAL A 8 0.806 1.373 9.499 1.00 0.00 C ATOM 72 CG2 VAL A 8 -0.976 1.702 11.230 1.00 0.00 C ATOM 0 H VAL A 8 1.091 3.003 11.906 1.00 0.00 H new ATOM 0 HA VAL A 8 0.615 4.058 9.268 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.106 2.254 9.177 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.449 0.354 9.349 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.206 1.758 8.561 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.590 1.375 10.256 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.309 0.678 11.057 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.241 1.714 12.034 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.830 2.319 11.510 1.00 0.00 H new ATOM 82 N GLU A 9 -1.972 4.708 9.516 1.00 0.00 N ATOM 83 CA GLU A 9 -3.169 5.523 9.685 1.00 0.00 C ATOM 84 C GLU A 9 -4.353 4.912 8.941 1.00 0.00 C ATOM 85 O GLU A 9 -4.219 4.460 7.803 1.00 0.00 O ATOM 86 CB GLU A 9 -2.919 6.948 9.186 1.00 0.00 C ATOM 87 CG GLU A 9 -4.115 7.870 9.351 1.00 0.00 C ATOM 88 CD GLU A 9 -3.724 9.334 9.375 1.00 0.00 C ATOM 89 OE1 GLU A 9 -2.875 9.734 8.550 1.00 0.00 O ATOM 90 OE2 GLU A 9 -4.266 10.080 10.217 1.00 0.00 O ATOM 0 H GLU A 9 -1.894 4.256 8.605 1.00 0.00 H new ATOM 0 HA GLU A 9 -3.407 5.555 10.748 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.070 7.369 9.725 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -2.642 6.911 8.132 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.816 7.699 8.535 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.636 7.622 10.276 1.00 0.00 H new ATOM 97 N CYS A 10 -5.512 4.902 9.591 1.00 0.00 N ATOM 98 CA CYS A 10 -6.720 4.346 8.993 1.00 0.00 C ATOM 99 C CYS A 10 -7.427 5.386 8.129 1.00 0.00 C ATOM 100 O CYS A 10 -7.921 6.403 8.618 1.00 0.00 O ATOM 101 CB CYS A 10 -7.668 3.842 10.083 1.00 0.00 C ATOM 102 SG CYS A 10 -9.235 3.164 9.450 1.00 0.00 S ATOM 0 H CYS A 10 -5.640 5.273 10.533 1.00 0.00 H new ATOM 0 HA CYS A 10 -6.430 3.509 8.358 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -7.160 3.072 10.664 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -7.889 4.663 10.765 1.00 0.00 H new ATOM 0 HG CYS A 10 -9.788 2.423 10.364 1.00 0.00 H new ATOM 107 N PRO A 11 -7.479 5.127 6.814 1.00 0.00 N ATOM 108 CA PRO A 11 -8.124 6.028 5.855 1.00 0.00 C ATOM 109 C PRO A 11 -9.641 6.050 6.010 1.00 0.00 C ATOM 110 O PRO A 11 -10.347 6.691 5.230 1.00 0.00 O ATOM 111 CB PRO A 11 -7.734 5.438 4.497 1.00 0.00 C ATOM 112 CG PRO A 11 -7.475 3.997 4.770 1.00 0.00 C ATOM 113 CD PRO A 11 -6.912 3.934 6.163 1.00 0.00 C ATOM 0 HA PRO A 11 -7.809 7.063 5.992 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -8.533 5.565 3.766 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -6.850 5.929 4.091 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.393 3.414 4.693 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -6.773 3.583 4.046 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.208 3.018 6.675 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -5.822 3.959 6.158 1.00 0.00 H new ATOM 121 N THR A 12 -10.138 5.345 7.022 1.00 0.00 N ATOM 122 CA THR A 12 -11.572 5.283 7.278 1.00 0.00 C ATOM 123 C THR A 12 -11.967 6.214 8.419 1.00 0.00 C ATOM 124 O THR A 12 -12.878 7.030 8.281 1.00 0.00 O ATOM 125 CB THR A 12 -12.020 3.850 7.622 1.00 0.00 C ATOM 126 OG1 THR A 12 -11.321 2.908 6.799 1.00 0.00 O ATOM 127 CG2 THR A 12 -13.519 3.690 7.424 1.00 0.00 C ATOM 0 H THR A 12 -9.569 4.809 7.677 1.00 0.00 H new ATOM 0 HA THR A 12 -12.071 5.602 6.363 1.00 0.00 H new ATOM 0 HB THR A 12 -11.786 3.661 8.670 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.488 2.642 7.241 1.00 0.00 H new ATOM 0 HG21 THR A 12 -13.812 2.670 7.673 1.00 0.00 H new ATOM 0 HG22 THR A 12 -14.048 4.388 8.072 1.00 0.00 H new ATOM 0 HG23 THR A 12 -13.773 3.897 6.384 1.00 0.00 H new ATOM 135 N CYS A 13 -11.275 6.087 9.547 1.00 0.00 N ATOM 136 CA CYS A 13 -11.553 6.916 10.713 1.00 0.00 C ATOM 137 C CYS A 13 -10.335 7.757 11.085 1.00 0.00 C ATOM 138 O CYS A 13 -10.326 8.436 12.112 1.00 0.00 O ATOM 139 CB CYS A 13 -11.966 6.043 11.899 1.00 0.00 C ATOM 140 SG CYS A 13 -10.711 4.818 12.393 1.00 0.00 S ATOM 0 H CYS A 13 -10.517 5.417 9.678 1.00 0.00 H new ATOM 0 HA CYS A 13 -12.374 7.588 10.463 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -12.185 6.686 12.751 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -12.889 5.521 11.648 1.00 0.00 H new ATOM 0 HG CYS A 13 -10.229 4.239 11.333 1.00 0.00 H new ATOM 145 N HIS A 14 -9.308 7.706 10.242 1.00 0.00 N ATOM 146 CA HIS A 14 -8.084 8.463 10.482 1.00 0.00 C ATOM 147 C HIS A 14 -7.437 8.047 11.800 1.00 0.00 C ATOM 148 O HIS A 14 -6.705 8.822 12.416 1.00 0.00 O ATOM 149 CB HIS A 14 -8.382 9.963 10.497 1.00 0.00 C ATOM 150 CG HIS A 14 -8.994 10.465 9.226 1.00 0.00 C ATOM 151 ND1 HIS A 14 -8.457 10.214 7.981 1.00 0.00 N ATOM 152 CD2 HIS A 14 -10.106 11.206 9.012 1.00 0.00 C ATOM 153 CE1 HIS A 14 -9.210 10.780 7.056 1.00 0.00 C ATOM 154 NE2 HIS A 14 -10.218 11.389 7.655 1.00 0.00 N ATOM 0 H HIS A 14 -9.299 7.149 9.388 1.00 0.00 H new ATOM 0 HA HIS A 14 -7.387 8.247 9.672 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -9.055 10.183 11.326 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -7.456 10.507 10.684 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -10.780 11.583 9.767 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -9.032 10.750 5.991 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -10.959 11.910 7.186 1.00 0.00 H new ATOM 162 N LYS A 15 -7.712 6.820 12.227 1.00 0.00 N ATOM 163 CA LYS A 15 -7.158 6.300 13.471 1.00 0.00 C ATOM 164 C LYS A 15 -5.782 5.683 13.238 1.00 0.00 C ATOM 165 O LYS A 15 -5.654 4.662 12.563 1.00 0.00 O ATOM 166 CB LYS A 15 -8.099 5.256 14.076 1.00 0.00 C ATOM 167 CG LYS A 15 -7.643 4.737 15.429 1.00 0.00 C ATOM 168 CD LYS A 15 -8.791 4.109 16.201 1.00 0.00 C ATOM 169 CE LYS A 15 -8.435 3.911 17.667 1.00 0.00 C ATOM 170 NZ LYS A 15 -9.395 3.003 18.353 1.00 0.00 N ATOM 0 H LYS A 15 -8.316 6.166 11.729 1.00 0.00 H new ATOM 0 HA LYS A 15 -7.052 7.132 14.167 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -9.093 5.692 14.180 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.189 4.417 13.386 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.851 4.001 15.289 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.218 5.556 16.009 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -9.674 4.744 16.122 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.048 3.148 15.755 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.428 3.500 17.744 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.425 4.877 18.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.118 2.894 19.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.352 3.407 18.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.387 2.073 17.887 1.00 0.00 H new ATOM 184 N LYS A 16 -4.755 6.310 13.801 1.00 0.00 N ATOM 185 CA LYS A 16 -3.388 5.823 13.657 1.00 0.00 C ATOM 186 C LYS A 16 -3.036 4.850 14.778 1.00 0.00 C ATOM 187 O LYS A 16 -3.661 4.858 15.839 1.00 0.00 O ATOM 188 CB LYS A 16 -2.404 6.995 13.658 1.00 0.00 C ATOM 189 CG LYS A 16 -2.606 7.960 12.502 1.00 0.00 C ATOM 190 CD LYS A 16 -1.349 8.766 12.222 1.00 0.00 C ATOM 191 CE LYS A 16 -1.326 10.059 13.023 1.00 0.00 C ATOM 192 NZ LYS A 16 -0.892 9.832 14.430 1.00 0.00 N ATOM 0 H LYS A 16 -4.843 7.157 14.362 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.315 5.296 12.706 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.502 7.540 14.597 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.387 6.605 13.621 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.889 7.404 11.608 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.429 8.636 12.731 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.471 8.169 12.467 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.292 8.995 11.158 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.652 10.770 12.545 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.319 10.508 13.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.533 10.722 14.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.701 9.500 14.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.139 9.115 14.450 1.00 0.00 H new ATOM 206 N PHE A 17 -2.033 4.013 14.536 1.00 0.00 N ATOM 207 CA PHE A 17 -1.598 3.034 15.525 1.00 0.00 C ATOM 208 C PHE A 17 -0.075 2.961 15.586 1.00 0.00 C ATOM 209 O PHE A 17 0.621 3.700 14.888 1.00 0.00 O ATOM 210 CB PHE A 17 -2.173 1.655 15.196 1.00 0.00 C ATOM 211 CG PHE A 17 -3.674 1.606 15.236 1.00 0.00 C ATOM 212 CD1 PHE A 17 -4.426 2.206 14.239 1.00 0.00 C ATOM 213 CD2 PHE A 17 -4.332 0.960 16.270 1.00 0.00 C ATOM 214 CE1 PHE A 17 -5.807 2.163 14.272 1.00 0.00 C ATOM 215 CE2 PHE A 17 -5.713 0.913 16.308 1.00 0.00 C ATOM 216 CZ PHE A 17 -6.451 1.516 15.309 1.00 0.00 C ATOM 0 H PHE A 17 -1.506 3.993 13.663 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.968 3.351 16.500 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.834 1.356 14.204 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.775 0.926 15.902 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -3.927 2.713 13.426 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.760 0.488 17.055 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.382 2.634 13.488 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.214 0.405 17.119 1.00 0.00 H new ATOM 0 HZ PHE A 17 -7.530 1.482 15.338 1.00 0.00 H new ATOM 226 N LEU A 18 0.435 2.067 16.425 1.00 0.00 N ATOM 227 CA LEU A 18 1.876 1.897 16.579 1.00 0.00 C ATOM 228 C LEU A 18 2.493 1.312 15.312 1.00 0.00 C ATOM 229 O LEU A 18 3.473 1.840 14.786 1.00 0.00 O ATOM 230 CB LEU A 18 2.178 0.991 17.773 1.00 0.00 C ATOM 231 CG LEU A 18 1.948 1.603 19.155 1.00 0.00 C ATOM 232 CD1 LEU A 18 1.950 0.522 20.225 1.00 0.00 C ATOM 233 CD2 LEU A 18 3.006 2.654 19.456 1.00 0.00 C ATOM 0 H LEU A 18 -0.127 1.448 17.009 1.00 0.00 H new ATOM 0 HA LEU A 18 2.316 2.878 16.756 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.564 0.095 17.688 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.218 0.672 17.708 1.00 0.00 H new ATOM 0 HG LEU A 18 0.972 2.087 19.158 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.785 0.977 21.202 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.155 -0.195 20.019 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.911 0.009 20.222 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.826 3.079 20.444 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.993 2.193 19.433 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.957 3.444 18.707 1.00 0.00 H new ATOM 245 N SER A 19 1.912 0.219 14.828 1.00 0.00 N ATOM 246 CA SER A 19 2.406 -0.439 13.624 1.00 0.00 C ATOM 247 C SER A 19 1.249 -0.864 12.724 1.00 0.00 C ATOM 248 O SER A 19 0.086 -0.586 13.015 1.00 0.00 O ATOM 249 CB SER A 19 3.253 -1.658 13.994 1.00 0.00 C ATOM 250 OG SER A 19 4.087 -2.047 12.916 1.00 0.00 O ATOM 0 H SER A 19 1.099 -0.229 15.251 1.00 0.00 H new ATOM 0 HA SER A 19 3.026 0.273 13.079 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.865 -1.428 14.866 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.601 -2.487 14.271 1.00 0.00 H new ATOM 0 HG SER A 19 4.619 -2.827 13.179 1.00 0.00 H new ATOM 256 N LYS A 20 1.578 -1.540 11.628 1.00 0.00 N ATOM 257 CA LYS A 20 0.569 -2.005 10.684 1.00 0.00 C ATOM 258 C LYS A 20 -0.271 -3.123 11.293 1.00 0.00 C ATOM 259 O LYS A 20 -1.480 -3.196 11.070 1.00 0.00 O ATOM 260 CB LYS A 20 1.234 -2.497 9.396 1.00 0.00 C ATOM 261 CG LYS A 20 0.410 -2.234 8.148 1.00 0.00 C ATOM 262 CD LYS A 20 -0.722 -3.238 8.006 1.00 0.00 C ATOM 263 CE LYS A 20 -1.374 -3.153 6.634 1.00 0.00 C ATOM 264 NZ LYS A 20 -1.966 -4.456 6.220 1.00 0.00 N ATOM 0 H LYS A 20 2.536 -1.778 11.372 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.087 -1.167 10.450 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.204 -2.012 9.290 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.420 -3.568 9.479 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.000 -1.225 8.188 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.053 -2.282 7.269 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.338 -4.246 8.166 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.470 -3.056 8.777 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.151 -2.389 6.648 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.633 -2.841 5.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.541 -4.761 5.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.778 -5.171 6.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.993 -4.347 6.098 1.00 0.00 H new ATOM 278 N TYR A 21 0.376 -3.990 12.064 1.00 0.00 N ATOM 279 CA TYR A 21 -0.313 -5.105 12.704 1.00 0.00 C ATOM 280 C TYR A 21 -1.541 -4.620 13.467 1.00 0.00 C ATOM 281 O TYR A 21 -2.658 -5.080 13.226 1.00 0.00 O ATOM 282 CB TYR A 21 0.635 -5.838 13.654 1.00 0.00 C ATOM 283 CG TYR A 21 -0.056 -6.859 14.530 1.00 0.00 C ATOM 284 CD1 TYR A 21 -0.279 -8.154 14.079 1.00 0.00 C ATOM 285 CD2 TYR A 21 -0.484 -6.528 15.810 1.00 0.00 C ATOM 286 CE1 TYR A 21 -0.911 -9.089 14.876 1.00 0.00 C ATOM 287 CE2 TYR A 21 -1.115 -7.458 16.615 1.00 0.00 C ATOM 288 CZ TYR A 21 -1.327 -8.736 16.143 1.00 0.00 C ATOM 289 OH TYR A 21 -1.955 -9.665 16.940 1.00 0.00 O ATOM 0 H TYR A 21 1.376 -3.942 12.261 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.641 -5.793 11.925 1.00 0.00 H new ATOM 0 HB2 TYR A 21 1.408 -6.337 13.069 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.137 -5.107 14.288 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.047 -8.435 13.088 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.321 -5.527 16.182 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.078 -10.091 14.509 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.440 -7.185 17.608 1.00 0.00 H new ATOM 0 HH TYR A 21 -2.183 -9.257 17.801 1.00 0.00 H new ATOM 299 N TYR A 22 -1.327 -3.688 14.389 1.00 0.00 N ATOM 300 CA TYR A 22 -2.416 -3.141 15.190 1.00 0.00 C ATOM 301 C TYR A 22 -3.538 -2.617 14.299 1.00 0.00 C ATOM 302 O TYR A 22 -4.719 -2.805 14.592 1.00 0.00 O ATOM 303 CB TYR A 22 -1.899 -2.019 16.092 1.00 0.00 C ATOM 304 CG TYR A 22 -1.279 -2.513 17.379 1.00 0.00 C ATOM 305 CD1 TYR A 22 -1.992 -3.328 18.249 1.00 0.00 C ATOM 306 CD2 TYR A 22 0.020 -2.164 17.726 1.00 0.00 C ATOM 307 CE1 TYR A 22 -1.430 -3.782 19.426 1.00 0.00 C ATOM 308 CE2 TYR A 22 0.591 -2.614 18.900 1.00 0.00 C ATOM 309 CZ TYR A 22 -0.138 -3.423 19.747 1.00 0.00 C ATOM 310 OH TYR A 22 0.427 -3.872 20.919 1.00 0.00 O ATOM 0 H TYR A 22 -0.410 -3.295 14.600 1.00 0.00 H new ATOM 0 HA TYR A 22 -2.815 -3.943 15.811 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.160 -1.435 15.544 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.723 -1.347 16.330 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -3.004 -3.612 18.001 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.593 -1.530 17.066 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.999 -4.415 20.091 1.00 0.00 H new ATOM 0 HE2 TYR A 22 1.603 -2.334 19.154 1.00 0.00 H new ATOM 0 HH TYR A 22 1.342 -3.529 20.993 1.00 0.00 H new ATOM 320 N LEU A 23 -3.160 -1.959 13.209 1.00 0.00 N ATOM 321 CA LEU A 23 -4.133 -1.407 12.272 1.00 0.00 C ATOM 322 C LEU A 23 -5.051 -2.500 11.735 1.00 0.00 C ATOM 323 O LEU A 23 -6.269 -2.442 11.905 1.00 0.00 O ATOM 324 CB LEU A 23 -3.417 -0.711 11.113 1.00 0.00 C ATOM 325 CG LEU A 23 -4.311 -0.194 9.986 1.00 0.00 C ATOM 326 CD1 LEU A 23 -5.030 1.076 10.415 1.00 0.00 C ATOM 327 CD2 LEU A 23 -3.492 0.054 8.727 1.00 0.00 C ATOM 0 H LEU A 23 -2.187 -1.794 12.952 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.741 -0.677 12.806 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.850 0.129 11.514 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.696 -1.408 10.687 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.060 -0.954 9.764 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.662 1.429 9.600 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.648 0.867 11.288 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.297 1.843 10.664 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.144 0.422 7.935 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.720 0.795 8.935 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.024 -0.877 8.408 1.00 0.00 H new ATOM 339 N LYS A 24 -4.459 -3.497 11.086 1.00 0.00 N ATOM 340 CA LYS A 24 -5.223 -4.606 10.526 1.00 0.00 C ATOM 341 C LYS A 24 -6.311 -5.061 11.493 1.00 0.00 C ATOM 342 O LYS A 24 -7.499 -5.003 11.178 1.00 0.00 O ATOM 343 CB LYS A 24 -4.294 -5.777 10.198 1.00 0.00 C ATOM 344 CG LYS A 24 -3.165 -5.412 9.250 1.00 0.00 C ATOM 345 CD LYS A 24 -1.965 -6.327 9.433 1.00 0.00 C ATOM 346 CE LYS A 24 -2.117 -7.612 8.633 1.00 0.00 C ATOM 347 NZ LYS A 24 -0.893 -8.457 8.704 1.00 0.00 N ATOM 0 H LYS A 24 -3.452 -3.560 10.935 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.699 -4.260 9.609 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.869 -6.163 11.125 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.881 -6.583 9.757 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.518 -5.475 8.221 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.865 -4.378 9.421 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.059 -5.808 9.121 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.847 -6.567 10.490 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.970 -8.176 9.010 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.331 -7.369 7.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.036 -9.323 8.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.084 -7.928 8.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.703 -8.711 9.695 1.00 0.00 H new ATOM 361 N VAL A 25 -5.896 -5.514 12.672 1.00 0.00 N ATOM 362 CA VAL A 25 -6.836 -5.977 13.687 1.00 0.00 C ATOM 363 C VAL A 25 -7.954 -4.964 13.903 1.00 0.00 C ATOM 364 O VAL A 25 -9.103 -5.333 14.150 1.00 0.00 O ATOM 365 CB VAL A 25 -6.128 -6.238 15.030 1.00 0.00 C ATOM 366 CG1 VAL A 25 -7.134 -6.661 16.090 1.00 0.00 C ATOM 367 CG2 VAL A 25 -5.042 -7.289 14.863 1.00 0.00 C ATOM 0 H VAL A 25 -4.916 -5.570 12.948 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.262 -6.911 13.322 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.657 -5.312 15.360 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.616 -6.841 17.032 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.872 -5.871 16.227 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.636 -7.575 15.771 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.552 -7.461 15.821 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.487 -8.219 14.511 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.307 -6.941 14.137 1.00 0.00 H new ATOM 377 N HIS A 26 -7.612 -3.683 13.807 1.00 0.00 N ATOM 378 CA HIS A 26 -8.588 -2.615 13.990 1.00 0.00 C ATOM 379 C HIS A 26 -9.536 -2.534 12.798 1.00 0.00 C ATOM 380 O HIS A 26 -10.750 -2.672 12.947 1.00 0.00 O ATOM 381 CB HIS A 26 -7.878 -1.274 14.184 1.00 0.00 C ATOM 382 CG HIS A 26 -8.663 -0.103 13.680 1.00 0.00 C ATOM 383 ND1 HIS A 26 -9.490 0.652 14.484 1.00 0.00 N ATOM 384 CD2 HIS A 26 -8.743 0.444 12.444 1.00 0.00 C ATOM 385 CE1 HIS A 26 -10.045 1.611 13.765 1.00 0.00 C ATOM 386 NE2 HIS A 26 -9.608 1.507 12.523 1.00 0.00 N ATOM 0 H HIS A 26 -6.666 -3.360 13.604 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.173 -2.841 14.882 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -7.670 -1.132 15.245 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -6.916 -1.304 13.672 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -9.649 0.495 15.479 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -8.223 0.107 11.560 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -10.738 2.354 14.131 1.00 0.00 H new ATOM 394 N ASN A 27 -8.974 -2.308 11.615 1.00 0.00 N ATOM 395 CA ASN A 27 -9.769 -2.208 10.397 1.00 0.00 C ATOM 396 C ASN A 27 -10.958 -3.164 10.443 1.00 0.00 C ATOM 397 O ASN A 27 -12.080 -2.792 10.100 1.00 0.00 O ATOM 398 CB ASN A 27 -8.905 -2.510 9.172 1.00 0.00 C ATOM 399 CG ASN A 27 -9.725 -2.982 7.987 1.00 0.00 C ATOM 400 OD1 ASN A 27 -10.717 -2.355 7.615 1.00 0.00 O ATOM 401 ND2 ASN A 27 -9.315 -4.094 7.388 1.00 0.00 N ATOM 0 H ASN A 27 -7.971 -2.191 11.474 1.00 0.00 H new ATOM 0 HA ASN A 27 -10.148 -1.188 10.323 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -8.350 -1.614 8.893 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -8.170 -3.273 9.429 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -9.828 -4.460 6.586 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -8.487 -4.582 7.730 1.00 0.00 H new ATOM 543 N PHE A 36 -6.785 -13.168 7.818 1.00 0.00 N ATOM 544 CA PHE A 36 -5.574 -13.948 7.585 1.00 0.00 C ATOM 545 C PHE A 36 -5.115 -13.819 6.136 1.00 0.00 C ATOM 546 O PHE A 36 -5.832 -13.282 5.292 1.00 0.00 O ATOM 547 CB PHE A 36 -5.817 -15.419 7.926 1.00 0.00 C ATOM 548 CG PHE A 36 -6.266 -15.640 9.342 1.00 0.00 C ATOM 549 CD1 PHE A 36 -7.594 -15.465 9.697 1.00 0.00 C ATOM 550 CD2 PHE A 36 -5.360 -16.022 10.319 1.00 0.00 C ATOM 551 CE1 PHE A 36 -8.011 -15.668 10.999 1.00 0.00 C ATOM 552 CE2 PHE A 36 -5.772 -16.227 11.622 1.00 0.00 C ATOM 553 CZ PHE A 36 -7.098 -16.048 11.963 1.00 0.00 C ATOM 0 HA PHE A 36 -4.789 -13.557 8.232 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.569 -15.821 7.248 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.899 -15.980 7.753 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.312 -15.166 8.947 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.321 -16.161 10.059 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -9.049 -15.530 11.262 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.057 -16.527 12.374 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.421 -16.205 12.982 1.00 0.00 H new ATOM 563 N GLU A 37 -3.914 -14.315 5.855 1.00 0.00 N ATOM 564 CA GLU A 37 -3.358 -14.255 4.509 1.00 0.00 C ATOM 565 C GLU A 37 -2.061 -15.053 4.419 1.00 0.00 C ATOM 566 O GLU A 37 -1.160 -14.891 5.244 1.00 0.00 O ATOM 567 CB GLU A 37 -3.105 -12.801 4.103 1.00 0.00 C ATOM 568 CG GLU A 37 -2.696 -12.638 2.648 1.00 0.00 C ATOM 569 CD GLU A 37 -2.487 -11.187 2.261 1.00 0.00 C ATOM 570 OE1 GLU A 37 -1.722 -10.490 2.960 1.00 0.00 O ATOM 571 OE2 GLU A 37 -3.088 -10.749 1.258 1.00 0.00 O ATOM 0 H GLU A 37 -3.308 -14.763 6.542 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.083 -14.696 3.824 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.009 -12.219 4.285 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.324 -12.385 4.740 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.776 -13.194 2.468 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -3.463 -13.074 2.008 1.00 0.00 H new ATOM 578 N CYS A 38 -1.972 -15.916 3.412 1.00 0.00 N ATOM 579 CA CYS A 38 -0.787 -16.741 3.214 1.00 0.00 C ATOM 580 C CYS A 38 0.476 -15.884 3.195 1.00 0.00 C ATOM 581 O CYS A 38 0.699 -15.083 2.287 1.00 0.00 O ATOM 582 CB CYS A 38 -0.901 -17.528 1.907 1.00 0.00 C ATOM 583 SG CYS A 38 0.172 -18.999 1.829 1.00 0.00 S ATOM 0 H CYS A 38 -2.707 -16.062 2.720 1.00 0.00 H new ATOM 0 HA CYS A 38 -0.718 -17.440 4.047 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -1.937 -17.839 1.772 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -0.656 -16.868 1.075 1.00 0.00 H new ATOM 0 HG CYS A 38 1.242 -18.794 2.538 1.00 0.00 H new ATOM 588 N PRO A 39 1.322 -16.055 4.221 1.00 0.00 N ATOM 589 CA PRO A 39 2.577 -15.307 4.346 1.00 0.00 C ATOM 590 C PRO A 39 3.606 -15.723 3.300 1.00 0.00 C ATOM 591 O PRO A 39 4.727 -15.214 3.280 1.00 0.00 O ATOM 592 CB PRO A 39 3.067 -15.667 5.751 1.00 0.00 C ATOM 593 CG PRO A 39 2.451 -16.993 6.038 1.00 0.00 C ATOM 594 CD PRO A 39 1.120 -16.992 5.339 1.00 0.00 C ATOM 0 HA PRO A 39 2.431 -14.238 4.192 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.155 -15.719 5.790 1.00 0.00 H new ATOM 0 HB3 PRO A 39 2.757 -14.920 6.482 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.082 -17.803 5.674 1.00 0.00 H new ATOM 0 HG3 PRO A 39 2.328 -17.142 7.111 1.00 0.00 H new ATOM 0 HD2 PRO A 39 0.851 -17.987 4.985 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.319 -16.662 6.000 1.00 0.00 H new ATOM 602 N LYS A 40 3.218 -16.651 2.432 1.00 0.00 N ATOM 603 CA LYS A 40 4.106 -17.134 1.381 1.00 0.00 C ATOM 604 C LYS A 40 3.786 -16.466 0.048 1.00 0.00 C ATOM 605 O LYS A 40 4.687 -16.055 -0.685 1.00 0.00 O ATOM 606 CB LYS A 40 3.986 -18.654 1.243 1.00 0.00 C ATOM 607 CG LYS A 40 4.576 -19.419 2.415 1.00 0.00 C ATOM 608 CD LYS A 40 6.080 -19.584 2.273 1.00 0.00 C ATOM 609 CE LYS A 40 6.689 -20.226 3.510 1.00 0.00 C ATOM 610 NZ LYS A 40 8.178 -20.188 3.479 1.00 0.00 N ATOM 0 H LYS A 40 2.294 -17.084 2.436 1.00 0.00 H new ATOM 0 HA LYS A 40 5.129 -16.879 1.659 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.934 -18.919 1.139 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.486 -18.968 0.326 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.353 -18.893 3.343 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.106 -20.400 2.484 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.299 -20.197 1.398 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.540 -18.610 2.103 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.331 -19.710 4.401 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.354 -21.260 3.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.555 -20.635 4.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.521 -20.702 2.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.499 -19.200 3.433 1.00 0.00 H new ATOM 624 N CYS A 41 2.498 -16.358 -0.261 1.00 0.00 N ATOM 625 CA CYS A 41 2.059 -15.738 -1.505 1.00 0.00 C ATOM 626 C CYS A 41 1.259 -14.468 -1.228 1.00 0.00 C ATOM 627 O CYS A 41 1.367 -13.482 -1.955 1.00 0.00 O ATOM 628 CB CYS A 41 1.212 -16.720 -2.317 1.00 0.00 C ATOM 629 SG CYS A 41 -0.248 -17.353 -1.430 1.00 0.00 S ATOM 0 H CYS A 41 1.740 -16.692 0.334 1.00 0.00 H new ATOM 0 HA CYS A 41 2.945 -15.470 -2.080 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.883 -16.228 -3.232 1.00 0.00 H new ATOM 0 HB3 CYS A 41 1.837 -17.562 -2.614 1.00 0.00 H new ATOM 0 HG CYS A 41 0.137 -18.058 -0.408 1.00 0.00 H new ATOM 634 N GLY A 42 0.455 -14.501 -0.169 1.00 0.00 N ATOM 635 CA GLY A 42 -0.351 -13.348 0.187 1.00 0.00 C ATOM 636 C GLY A 42 -1.826 -13.565 -0.087 1.00 0.00 C ATOM 637 O GLY A 42 -2.566 -12.612 -0.332 1.00 0.00 O ATOM 0 H GLY A 42 0.348 -15.306 0.448 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.210 -13.123 1.244 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.004 -12.479 -0.373 1.00 0.00 H new ATOM 641 N LYS A 43 -2.254 -14.822 -0.047 1.00 0.00 N ATOM 642 CA LYS A 43 -3.651 -15.163 -0.293 1.00 0.00 C ATOM 643 C LYS A 43 -4.483 -14.996 0.974 1.00 0.00 C ATOM 644 O LYS A 43 -4.354 -15.775 1.920 1.00 0.00 O ATOM 645 CB LYS A 43 -3.764 -16.601 -0.805 1.00 0.00 C ATOM 646 CG LYS A 43 -5.125 -16.933 -1.391 1.00 0.00 C ATOM 647 CD LYS A 43 -5.394 -16.141 -2.659 1.00 0.00 C ATOM 648 CE LYS A 43 -6.314 -14.959 -2.395 1.00 0.00 C ATOM 649 NZ LYS A 43 -7.463 -15.334 -1.526 1.00 0.00 N ATOM 0 H LYS A 43 -1.654 -15.622 0.153 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.037 -14.482 -1.052 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.000 -16.768 -1.564 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.554 -17.287 0.015 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.178 -18.000 -1.609 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.901 -16.719 -0.656 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.451 -15.784 -3.073 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.844 -16.793 -3.408 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.748 -14.157 -1.922 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.687 -14.570 -3.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.298 -14.776 -1.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.671 -16.346 -1.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.224 -15.142 -0.532 1.00 0.00 H new ATOM 663 N CYS A 44 -5.336 -13.978 0.986 1.00 0.00 N ATOM 664 CA CYS A 44 -6.190 -13.710 2.138 1.00 0.00 C ATOM 665 C CYS A 44 -7.172 -14.855 2.365 1.00 0.00 C ATOM 666 O CYS A 44 -7.788 -15.354 1.423 1.00 0.00 O ATOM 667 CB CYS A 44 -6.953 -12.400 1.939 1.00 0.00 C ATOM 668 SG CYS A 44 -5.892 -10.946 1.767 1.00 0.00 S ATOM 0 H CYS A 44 -5.455 -13.325 0.212 1.00 0.00 H new ATOM 0 HA CYS A 44 -5.554 -13.621 3.018 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -7.578 -12.488 1.050 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -7.622 -12.250 2.786 1.00 0.00 H new ATOM 0 HG CYS A 44 -4.767 -11.292 1.215 1.00 0.00 H new ATOM 674 N TYR A 45 -7.312 -15.267 3.620 1.00 0.00 N ATOM 675 CA TYR A 45 -8.215 -16.356 3.971 1.00 0.00 C ATOM 676 C TYR A 45 -9.041 -16.004 5.204 1.00 0.00 C ATOM 677 O TYR A 45 -8.571 -15.304 6.101 1.00 0.00 O ATOM 678 CB TYR A 45 -7.425 -17.642 4.223 1.00 0.00 C ATOM 679 CG TYR A 45 -7.373 -18.565 3.026 1.00 0.00 C ATOM 680 CD1 TYR A 45 -6.867 -18.128 1.808 1.00 0.00 C ATOM 681 CD2 TYR A 45 -7.829 -19.875 3.115 1.00 0.00 C ATOM 682 CE1 TYR A 45 -6.818 -18.968 0.713 1.00 0.00 C ATOM 683 CE2 TYR A 45 -7.782 -20.722 2.024 1.00 0.00 C ATOM 684 CZ TYR A 45 -7.276 -20.264 0.826 1.00 0.00 C ATOM 685 OH TYR A 45 -7.228 -21.104 -0.263 1.00 0.00 O ATOM 0 H TYR A 45 -6.811 -14.863 4.411 1.00 0.00 H new ATOM 0 HA TYR A 45 -8.895 -16.513 3.133 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.408 -17.382 4.515 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.872 -18.174 5.063 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.506 -17.114 1.716 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -8.226 -20.237 4.052 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -6.423 -18.612 -0.227 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.140 -21.737 2.109 1.00 0.00 H new ATOM 0 HH TYR A 45 -7.588 -21.981 -0.015 1.00 0.00 H new ATOM 695 N PHE A 46 -10.276 -16.494 5.241 1.00 0.00 N ATOM 696 CA PHE A 46 -11.169 -16.231 6.363 1.00 0.00 C ATOM 697 C PHE A 46 -10.633 -16.864 7.644 1.00 0.00 C ATOM 698 O PHE A 46 -10.422 -16.180 8.646 1.00 0.00 O ATOM 699 CB PHE A 46 -12.570 -16.767 6.064 1.00 0.00 C ATOM 700 CG PHE A 46 -13.581 -16.427 7.121 1.00 0.00 C ATOM 701 CD1 PHE A 46 -13.679 -15.137 7.616 1.00 0.00 C ATOM 702 CD2 PHE A 46 -14.433 -17.399 7.621 1.00 0.00 C ATOM 703 CE1 PHE A 46 -14.608 -14.821 8.590 1.00 0.00 C ATOM 704 CE2 PHE A 46 -15.365 -17.089 8.594 1.00 0.00 C ATOM 705 CZ PHE A 46 -15.451 -15.798 9.080 1.00 0.00 C ATOM 0 H PHE A 46 -10.681 -17.075 4.507 1.00 0.00 H new ATOM 0 HA PHE A 46 -11.224 -15.152 6.506 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -12.907 -16.366 5.108 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -12.520 -17.850 5.956 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -13.022 -14.369 7.236 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -14.368 -18.410 7.246 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -14.674 -13.811 8.967 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -16.025 -17.855 8.974 1.00 0.00 H new ATOM 0 HZ PHE A 46 -16.177 -15.554 9.842 1.00 0.00 H new ATOM 715 N ARG A 47 -10.418 -18.175 7.604 1.00 0.00 N ATOM 716 CA ARG A 47 -9.909 -18.901 8.762 1.00 0.00 C ATOM 717 C ARG A 47 -8.484 -19.386 8.515 1.00 0.00 C ATOM 718 O ARG A 47 -8.115 -19.718 7.388 1.00 0.00 O ATOM 719 CB ARG A 47 -10.816 -20.090 9.083 1.00 0.00 C ATOM 720 CG ARG A 47 -12.247 -19.695 9.406 1.00 0.00 C ATOM 721 CD ARG A 47 -13.211 -20.847 9.168 1.00 0.00 C ATOM 722 NE ARG A 47 -14.487 -20.644 9.848 1.00 0.00 N ATOM 723 CZ ARG A 47 -15.322 -21.630 10.154 1.00 0.00 C ATOM 724 NH1 ARG A 47 -15.018 -22.882 9.841 1.00 0.00 N ATOM 725 NH2 ARG A 47 -16.465 -21.365 10.774 1.00 0.00 N ATOM 0 H ARG A 47 -10.588 -18.756 6.783 1.00 0.00 H new ATOM 0 HA ARG A 47 -9.900 -18.220 9.613 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -10.820 -20.773 8.234 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -10.399 -20.636 9.929 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -12.311 -19.375 10.446 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -12.538 -18.843 8.791 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -13.385 -20.959 8.098 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -12.759 -21.776 9.516 1.00 0.00 H new ATOM 0 HE ARG A 47 -14.752 -19.692 10.102 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -14.141 -23.090 9.364 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -15.661 -23.637 10.077 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -16.703 -20.403 11.016 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -17.106 -22.123 11.009 1.00 0.00 H new ATOM 739 N LYS A 48 -7.685 -19.425 9.577 1.00 0.00 N ATOM 740 CA LYS A 48 -6.301 -19.870 9.478 1.00 0.00 C ATOM 741 C LYS A 48 -6.229 -21.339 9.073 1.00 0.00 C ATOM 742 O LYS A 48 -5.370 -21.733 8.284 1.00 0.00 O ATOM 743 CB LYS A 48 -5.580 -19.662 10.811 1.00 0.00 C ATOM 744 CG LYS A 48 -4.122 -20.088 10.788 1.00 0.00 C ATOM 745 CD LYS A 48 -3.411 -19.716 12.078 1.00 0.00 C ATOM 746 CE LYS A 48 -1.900 -19.722 11.904 1.00 0.00 C ATOM 747 NZ LYS A 48 -1.191 -19.738 13.213 1.00 0.00 N ATOM 0 H LYS A 48 -7.974 -19.153 10.517 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.809 -19.275 8.709 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.638 -18.609 11.085 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.101 -20.222 11.587 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.059 -21.165 10.635 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.618 -19.616 9.945 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.737 -18.728 12.402 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.690 -20.418 12.864 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.605 -20.594 11.321 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.596 -18.842 11.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.164 -19.742 13.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.452 -18.893 13.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.461 -20.591 13.744 1.00 0.00 H new ATOM 761 N GLU A 49 -7.137 -22.143 9.616 1.00 0.00 N ATOM 762 CA GLU A 49 -7.176 -23.568 9.310 1.00 0.00 C ATOM 763 C GLU A 49 -7.085 -23.804 7.805 1.00 0.00 C ATOM 764 O GLU A 49 -6.107 -24.366 7.312 1.00 0.00 O ATOM 765 CB GLU A 49 -8.459 -24.196 9.859 1.00 0.00 C ATOM 766 CG GLU A 49 -8.407 -24.482 11.350 1.00 0.00 C ATOM 767 CD GLU A 49 -9.529 -25.393 11.809 1.00 0.00 C ATOM 768 OE1 GLU A 49 -10.696 -25.121 11.456 1.00 0.00 O ATOM 769 OE2 GLU A 49 -9.241 -26.377 12.521 1.00 0.00 O ATOM 0 H GLU A 49 -7.855 -21.832 10.270 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.317 -24.039 9.787 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.296 -23.529 9.655 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.655 -25.126 9.326 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.449 -24.940 11.595 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.460 -23.542 11.899 1.00 0.00 H new ATOM 776 N ASN A 50 -8.112 -23.371 7.081 1.00 0.00 N ATOM 777 CA ASN A 50 -8.149 -23.535 5.632 1.00 0.00 C ATOM 778 C ASN A 50 -6.876 -22.992 4.990 1.00 0.00 C ATOM 779 O ASN A 50 -6.253 -23.657 4.161 1.00 0.00 O ATOM 780 CB ASN A 50 -9.371 -22.824 5.049 1.00 0.00 C ATOM 781 CG ASN A 50 -10.663 -23.562 5.339 1.00 0.00 C ATOM 782 OD1 ASN A 50 -11.529 -23.062 6.057 1.00 0.00 O ATOM 783 ND2 ASN A 50 -10.799 -24.760 4.781 1.00 0.00 N ATOM 0 H ASN A 50 -8.929 -22.904 7.474 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.218 -24.601 5.414 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -9.432 -21.816 5.460 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.248 -22.722 3.971 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -11.647 -25.304 4.941 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -10.055 -25.136 4.193 1.00 0.00 H new ATOM 790 N LEU A 51 -6.494 -21.780 5.379 1.00 0.00 N ATOM 791 CA LEU A 51 -5.294 -21.147 4.843 1.00 0.00 C ATOM 792 C LEU A 51 -4.088 -22.072 4.968 1.00 0.00 C ATOM 793 O LEU A 51 -3.324 -22.245 4.017 1.00 0.00 O ATOM 794 CB LEU A 51 -5.020 -19.830 5.571 1.00 0.00 C ATOM 795 CG LEU A 51 -3.674 -19.167 5.275 1.00 0.00 C ATOM 796 CD1 LEU A 51 -3.641 -18.642 3.848 1.00 0.00 C ATOM 797 CD2 LEU A 51 -3.403 -18.044 6.266 1.00 0.00 C ATOM 0 H LEU A 51 -6.998 -21.216 6.064 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.462 -20.942 3.786 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.813 -19.126 5.317 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.085 -20.011 6.644 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.889 -19.916 5.383 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.676 -18.173 3.655 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.789 -19.468 3.153 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.435 -17.907 3.712 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.441 -17.584 6.040 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.191 -17.294 6.191 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.383 -18.449 7.278 1.00 0.00 H new ATOM 809 N LEU A 52 -3.924 -22.666 6.145 1.00 0.00 N ATOM 810 CA LEU A 52 -2.811 -23.576 6.394 1.00 0.00 C ATOM 811 C LEU A 52 -2.813 -24.725 5.392 1.00 0.00 C ATOM 812 O LEU A 52 -1.761 -25.143 4.911 1.00 0.00 O ATOM 813 CB LEU A 52 -2.887 -24.126 7.819 1.00 0.00 C ATOM 814 CG LEU A 52 -2.691 -23.108 8.943 1.00 0.00 C ATOM 815 CD1 LEU A 52 -3.313 -23.613 10.235 1.00 0.00 C ATOM 816 CD2 LEU A 52 -1.212 -22.810 9.142 1.00 0.00 C ATOM 0 H LEU A 52 -4.547 -22.534 6.942 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.883 -23.017 6.276 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.859 -24.602 7.952 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.133 -24.906 7.927 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.192 -22.183 8.660 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.164 -22.875 11.023 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -4.381 -23.774 10.086 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.841 -24.552 10.523 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.092 -22.084 9.946 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.687 -23.729 9.402 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.796 -22.403 8.220 1.00 0.00 H new ATOM 828 N GLU A 53 -4.003 -25.230 5.081 1.00 0.00 N ATOM 829 CA GLU A 53 -4.141 -26.331 4.134 1.00 0.00 C ATOM 830 C GLU A 53 -3.612 -25.935 2.759 1.00 0.00 C ATOM 831 O GLU A 53 -2.949 -26.725 2.085 1.00 0.00 O ATOM 832 CB GLU A 53 -5.606 -26.759 4.025 1.00 0.00 C ATOM 833 CG GLU A 53 -6.131 -27.456 5.270 1.00 0.00 C ATOM 834 CD GLU A 53 -7.486 -28.099 5.050 1.00 0.00 C ATOM 835 OE1 GLU A 53 -8.424 -27.384 4.640 1.00 0.00 O ATOM 836 OE2 GLU A 53 -7.609 -29.319 5.289 1.00 0.00 O ATOM 0 H GLU A 53 -4.884 -24.895 5.470 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.551 -27.170 4.503 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.219 -25.880 3.825 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.718 -27.426 3.171 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.418 -28.218 5.583 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.203 -26.734 6.083 1.00 0.00 H new ATOM 843 N HIS A 54 -3.911 -24.707 2.347 1.00 0.00 N ATOM 844 CA HIS A 54 -3.466 -24.206 1.052 1.00 0.00 C ATOM 845 C HIS A 54 -1.943 -24.123 0.995 1.00 0.00 C ATOM 846 O HIS A 54 -1.336 -24.390 -0.041 1.00 0.00 O ATOM 847 CB HIS A 54 -4.073 -22.830 0.778 1.00 0.00 C ATOM 848 CG HIS A 54 -3.176 -21.924 -0.008 1.00 0.00 C ATOM 849 ND1 HIS A 54 -3.334 -21.695 -1.359 1.00 0.00 N ATOM 850 CD2 HIS A 54 -2.106 -21.188 0.374 1.00 0.00 C ATOM 851 CE1 HIS A 54 -2.400 -20.858 -1.774 1.00 0.00 C ATOM 852 NE2 HIS A 54 -1.642 -20.534 -0.741 1.00 0.00 N ATOM 0 H HIS A 54 -4.459 -24.041 2.891 1.00 0.00 H new ATOM 0 HA HIS A 54 -3.803 -24.903 0.285 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -5.011 -22.957 0.237 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -4.315 -22.353 1.728 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -1.694 -21.127 1.370 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -2.277 -20.500 -2.785 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -0.842 -19.901 -0.768 1.00 0.00 H new ATOM 860 N GLU A 55 -1.333 -23.750 2.116 1.00 0.00 N ATOM 861 CA GLU A 55 0.118 -23.630 2.192 1.00 0.00 C ATOM 862 C GLU A 55 0.793 -24.946 1.813 1.00 0.00 C ATOM 863 O GLU A 55 1.683 -24.977 0.965 1.00 0.00 O ATOM 864 CB GLU A 55 0.544 -23.213 3.601 1.00 0.00 C ATOM 865 CG GLU A 55 0.239 -21.760 3.924 1.00 0.00 C ATOM 866 CD GLU A 55 0.643 -21.378 5.335 1.00 0.00 C ATOM 867 OE1 GLU A 55 0.688 -22.275 6.203 1.00 0.00 O ATOM 868 OE2 GLU A 55 0.914 -20.182 5.571 1.00 0.00 O ATOM 0 H GLU A 55 -1.821 -23.526 2.983 1.00 0.00 H new ATOM 0 HA GLU A 55 0.432 -22.863 1.484 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.041 -23.851 4.327 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.615 -23.384 3.713 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.760 -21.117 3.214 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.828 -21.579 3.794 1.00 0.00 H new ATOM 875 N ALA A 56 0.361 -26.030 2.450 1.00 0.00 N ATOM 876 CA ALA A 56 0.922 -27.348 2.179 1.00 0.00 C ATOM 877 C ALA A 56 0.387 -27.913 0.868 1.00 0.00 C ATOM 878 O ALA A 56 1.152 -28.381 0.025 1.00 0.00 O ATOM 879 CB ALA A 56 0.617 -28.297 3.329 1.00 0.00 C ATOM 0 H ALA A 56 -0.375 -26.021 3.156 1.00 0.00 H new ATOM 0 HA ALA A 56 2.003 -27.244 2.085 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.041 -29.278 3.114 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.053 -27.907 4.248 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.463 -28.387 3.450 1.00 0.00 H new ATOM 885 N ARG A 57 -0.932 -27.868 0.704 1.00 0.00 N ATOM 886 CA ARG A 57 -1.569 -28.378 -0.504 1.00 0.00 C ATOM 887 C ARG A 57 -0.955 -27.747 -1.751 1.00 0.00 C ATOM 888 O ARG A 57 -0.282 -28.419 -2.531 1.00 0.00 O ATOM 889 CB ARG A 57 -3.073 -28.102 -0.469 1.00 0.00 C ATOM 890 CG ARG A 57 -3.882 -29.019 -1.371 1.00 0.00 C ATOM 891 CD ARG A 57 -4.047 -30.401 -0.757 1.00 0.00 C ATOM 892 NE ARG A 57 -2.900 -31.262 -1.031 1.00 0.00 N ATOM 893 CZ ARG A 57 -2.566 -32.303 -0.277 1.00 0.00 C ATOM 894 NH1 ARG A 57 -3.289 -32.611 0.791 1.00 0.00 N ATOM 895 NH2 ARG A 57 -1.507 -33.039 -0.591 1.00 0.00 N ATOM 0 H ARG A 57 -1.579 -27.484 1.392 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.405 -29.455 -0.544 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -3.429 -28.208 0.556 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -3.251 -27.068 -0.763 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -4.863 -28.580 -1.551 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -3.389 -29.106 -2.339 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -4.179 -30.305 0.321 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.951 -30.866 -1.149 1.00 0.00 H new ATOM 0 HE ARG A 57 -2.324 -31.052 -1.846 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -4.104 -32.048 1.035 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.030 -33.411 1.368 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -0.949 -32.805 -1.412 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -1.251 -33.838 -0.011 1.00 0.00 H new ATOM 909 N ASN A 58 -1.192 -26.452 -1.930 1.00 0.00 N ATOM 910 CA ASN A 58 -0.663 -25.730 -3.082 1.00 0.00 C ATOM 911 C ASN A 58 -0.607 -24.231 -2.806 1.00 0.00 C ATOM 912 O ASN A 58 -1.567 -23.644 -2.306 1.00 0.00 O ATOM 913 CB ASN A 58 -1.523 -26.001 -4.318 1.00 0.00 C ATOM 914 CG ASN A 58 -1.048 -25.228 -5.533 1.00 0.00 C ATOM 915 OD1 ASN A 58 -1.046 -23.997 -5.538 1.00 0.00 O ATOM 916 ND2 ASN A 58 -0.643 -25.949 -6.572 1.00 0.00 N ATOM 0 H ASN A 58 -1.747 -25.881 -1.293 1.00 0.00 H new ATOM 0 HA ASN A 58 0.351 -26.085 -3.268 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -1.508 -27.068 -4.541 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -2.558 -25.735 -4.103 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -0.313 -25.484 -7.418 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -0.662 -26.968 -6.524 1.00 0.00 H new ATOM 1031 N VAL A 66 6.499 -7.303 -4.157 1.00 0.00 N ATOM 1032 CA VAL A 66 5.561 -6.433 -4.857 1.00 0.00 C ATOM 1033 C VAL A 66 4.889 -5.461 -3.893 1.00 0.00 C ATOM 1034 O VAL A 66 4.992 -5.606 -2.675 1.00 0.00 O ATOM 1035 CB VAL A 66 4.477 -7.249 -5.586 1.00 0.00 C ATOM 1036 CG1 VAL A 66 5.101 -8.128 -6.659 1.00 0.00 C ATOM 1037 CG2 VAL A 66 3.683 -8.086 -4.594 1.00 0.00 C ATOM 0 HA VAL A 66 6.137 -5.871 -5.592 1.00 0.00 H new ATOM 0 HB VAL A 66 3.791 -6.556 -6.072 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.320 -8.697 -7.163 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.620 -7.503 -7.385 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.811 -8.815 -6.199 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.922 -8.656 -5.126 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.354 -8.772 -4.077 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.203 -7.431 -3.867 1.00 0.00 H new ATOM 1047 N PHE A 67 4.198 -4.470 -4.448 1.00 0.00 N ATOM 1048 CA PHE A 67 3.508 -3.473 -3.638 1.00 0.00 C ATOM 1049 C PHE A 67 2.009 -3.486 -3.920 1.00 0.00 C ATOM 1050 O PHE A 67 1.571 -3.895 -4.996 1.00 0.00 O ATOM 1051 CB PHE A 67 4.079 -2.080 -3.911 1.00 0.00 C ATOM 1052 CG PHE A 67 5.512 -1.925 -3.490 1.00 0.00 C ATOM 1053 CD1 PHE A 67 6.523 -2.581 -4.173 1.00 0.00 C ATOM 1054 CD2 PHE A 67 5.848 -1.125 -2.410 1.00 0.00 C ATOM 1055 CE1 PHE A 67 7.843 -2.441 -3.788 1.00 0.00 C ATOM 1056 CE2 PHE A 67 7.166 -0.980 -2.021 1.00 0.00 C ATOM 1057 CZ PHE A 67 8.165 -1.640 -2.710 1.00 0.00 C ATOM 0 H PHE A 67 4.101 -4.336 -5.455 1.00 0.00 H new ATOM 0 HA PHE A 67 3.664 -3.722 -2.588 1.00 0.00 H new ATOM 0 HB2 PHE A 67 3.997 -1.865 -4.976 1.00 0.00 H new ATOM 0 HB3 PHE A 67 3.473 -1.339 -3.389 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.277 -3.209 -5.016 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.071 -0.609 -1.866 1.00 0.00 H new ATOM 0 HE1 PHE A 67 8.622 -2.957 -4.330 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.415 -0.351 -1.179 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.196 -1.530 -2.406 1.00 0.00 H new ATOM 1067 N THR A 68 1.225 -3.035 -2.946 1.00 0.00 N ATOM 1068 CA THR A 68 -0.225 -2.995 -3.087 1.00 0.00 C ATOM 1069 C THR A 68 -0.743 -1.562 -3.044 1.00 0.00 C ATOM 1070 O THR A 68 -0.473 -0.822 -2.097 1.00 0.00 O ATOM 1071 CB THR A 68 -0.919 -3.814 -1.983 1.00 0.00 C ATOM 1072 OG1 THR A 68 -0.488 -5.178 -2.039 1.00 0.00 O ATOM 1073 CG2 THR A 68 -2.432 -3.748 -2.131 1.00 0.00 C ATOM 0 H THR A 68 1.571 -2.692 -2.050 1.00 0.00 H new ATOM 0 HA THR A 68 -0.460 -3.434 -4.057 1.00 0.00 H new ATOM 0 HB THR A 68 -0.645 -3.387 -1.018 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.933 -5.691 -1.332 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.901 -4.334 -1.340 1.00 0.00 H new ATOM 0 HG22 THR A 68 -2.760 -2.711 -2.057 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.721 -4.152 -3.101 1.00 0.00 H new ATOM 1081 N CYS A 69 -1.488 -1.176 -4.074 1.00 0.00 N ATOM 1082 CA CYS A 69 -2.045 0.169 -4.154 1.00 0.00 C ATOM 1083 C CYS A 69 -2.781 0.531 -2.867 1.00 0.00 C ATOM 1084 O CYS A 69 -2.963 -0.310 -1.987 1.00 0.00 O ATOM 1085 CB CYS A 69 -2.996 0.280 -5.347 1.00 0.00 C ATOM 1086 SG CYS A 69 -3.229 1.981 -5.956 1.00 0.00 S ATOM 0 H CYS A 69 -1.720 -1.776 -4.865 1.00 0.00 H new ATOM 0 HA CYS A 69 -1.220 0.869 -4.289 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -2.615 -0.337 -6.161 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -3.966 -0.129 -5.064 1.00 0.00 H new ATOM 0 HG CYS A 69 -4.500 2.231 -6.071 1.00 0.00 H new ATOM 1091 N SER A 70 -3.201 1.788 -2.765 1.00 0.00 N ATOM 1092 CA SER A 70 -3.914 2.262 -1.585 1.00 0.00 C ATOM 1093 C SER A 70 -5.357 2.619 -1.929 1.00 0.00 C ATOM 1094 O SER A 70 -6.072 3.210 -1.119 1.00 0.00 O ATOM 1095 CB SER A 70 -3.204 3.479 -0.989 1.00 0.00 C ATOM 1096 OG SER A 70 -3.642 4.678 -1.605 1.00 0.00 O ATOM 0 H SER A 70 -3.060 2.496 -3.485 1.00 0.00 H new ATOM 0 HA SER A 70 -3.922 1.458 -0.849 1.00 0.00 H new ATOM 0 HB2 SER A 70 -3.395 3.526 0.083 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.127 3.374 -1.116 1.00 0.00 H new ATOM 0 HG SER A 70 -2.953 4.998 -2.224 1.00 0.00 H new ATOM 1102 N VAL A 71 -5.778 2.256 -3.136 1.00 0.00 N ATOM 1103 CA VAL A 71 -7.135 2.536 -3.589 1.00 0.00 C ATOM 1104 C VAL A 71 -7.765 1.305 -4.232 1.00 0.00 C ATOM 1105 O VAL A 71 -8.915 0.965 -3.952 1.00 0.00 O ATOM 1106 CB VAL A 71 -7.162 3.699 -4.597 1.00 0.00 C ATOM 1107 CG1 VAL A 71 -8.592 4.020 -5.006 1.00 0.00 C ATOM 1108 CG2 VAL A 71 -6.477 4.926 -4.014 1.00 0.00 C ATOM 0 H VAL A 71 -5.198 1.767 -3.818 1.00 0.00 H new ATOM 0 HA VAL A 71 -7.711 2.817 -2.707 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.615 3.395 -5.489 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -8.590 4.845 -5.719 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -9.044 3.142 -5.468 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -9.168 4.303 -4.125 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -6.506 5.738 -4.740 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.994 5.234 -3.105 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -5.440 4.686 -3.778 1.00 0.00 H new ATOM 1118 N CYS A 72 -7.004 0.641 -5.095 1.00 0.00 N ATOM 1119 CA CYS A 72 -7.487 -0.553 -5.779 1.00 0.00 C ATOM 1120 C CYS A 72 -6.669 -1.777 -5.378 1.00 0.00 C ATOM 1121 O CYS A 72 -6.931 -2.888 -5.838 1.00 0.00 O ATOM 1122 CB CYS A 72 -7.423 -0.358 -7.295 1.00 0.00 C ATOM 1123 SG CYS A 72 -5.740 -0.091 -7.940 1.00 0.00 S ATOM 0 H CYS A 72 -6.050 0.909 -5.338 1.00 0.00 H new ATOM 0 HA CYS A 72 -8.523 -0.717 -5.484 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -7.852 -1.234 -7.782 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -8.045 0.495 -7.567 1.00 0.00 H new ATOM 0 HG CYS A 72 -5.065 0.640 -7.103 1.00 0.00 H new ATOM 1128 N GLN A 73 -5.679 -1.565 -4.517 1.00 0.00 N ATOM 1129 CA GLN A 73 -4.824 -2.651 -4.054 1.00 0.00 C ATOM 1130 C GLN A 73 -4.118 -3.325 -5.226 1.00 0.00 C ATOM 1131 O GLN A 73 -3.881 -4.532 -5.209 1.00 0.00 O ATOM 1132 CB GLN A 73 -5.646 -3.681 -3.278 1.00 0.00 C ATOM 1133 CG GLN A 73 -6.574 -3.065 -2.244 1.00 0.00 C ATOM 1134 CD GLN A 73 -5.913 -1.949 -1.459 1.00 0.00 C ATOM 1135 OE1 GLN A 73 -5.044 -2.194 -0.621 1.00 0.00 O ATOM 1136 NE2 GLN A 73 -6.322 -0.714 -1.726 1.00 0.00 N ATOM 0 H GLN A 73 -5.449 -0.651 -4.126 1.00 0.00 H new ATOM 0 HA GLN A 73 -4.068 -2.228 -3.393 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -6.238 -4.266 -3.982 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -4.968 -4.373 -2.779 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.462 -2.677 -2.743 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -6.909 -3.840 -1.555 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -7.045 -0.557 -2.428 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -5.913 0.077 -1.229 1.00 0.00 H new ATOM 1145 N GLU A 74 -3.785 -2.536 -6.243 1.00 0.00 N ATOM 1146 CA GLU A 74 -3.107 -3.058 -7.424 1.00 0.00 C ATOM 1147 C GLU A 74 -1.819 -3.780 -7.037 1.00 0.00 C ATOM 1148 O GLU A 74 -1.529 -3.967 -5.855 1.00 0.00 O ATOM 1149 CB GLU A 74 -2.795 -1.925 -8.403 1.00 0.00 C ATOM 1150 CG GLU A 74 -2.956 -2.319 -9.862 1.00 0.00 C ATOM 1151 CD GLU A 74 -4.126 -3.257 -10.087 1.00 0.00 C ATOM 1152 OE1 GLU A 74 -5.272 -2.766 -10.168 1.00 0.00 O ATOM 1153 OE2 GLU A 74 -3.897 -4.480 -10.182 1.00 0.00 O ATOM 0 H GLU A 74 -3.973 -1.534 -6.273 1.00 0.00 H new ATOM 0 HA GLU A 74 -3.773 -3.773 -7.908 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -3.450 -1.081 -8.189 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.773 -1.585 -8.238 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.094 -1.421 -10.464 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.040 -2.797 -10.209 1.00 0.00 H new ATOM 1160 N THR A 75 -1.049 -4.183 -8.043 1.00 0.00 N ATOM 1161 CA THR A 75 0.207 -4.885 -7.810 1.00 0.00 C ATOM 1162 C THR A 75 1.352 -4.234 -8.577 1.00 0.00 C ATOM 1163 O THR A 75 1.280 -4.066 -9.795 1.00 0.00 O ATOM 1164 CB THR A 75 0.107 -6.367 -8.221 1.00 0.00 C ATOM 1165 OG1 THR A 75 -0.489 -6.476 -9.518 1.00 0.00 O ATOM 1166 CG2 THR A 75 -0.716 -7.153 -7.211 1.00 0.00 C ATOM 0 H THR A 75 -1.273 -4.035 -9.027 1.00 0.00 H new ATOM 0 HA THR A 75 0.409 -4.824 -6.741 1.00 0.00 H new ATOM 0 HB THR A 75 1.114 -6.783 -8.249 1.00 0.00 H new ATOM 0 HG1 THR A 75 -0.109 -5.795 -10.111 1.00 0.00 H new ATOM 0 HG21 THR A 75 -0.773 -8.196 -7.521 1.00 0.00 H new ATOM 0 HG22 THR A 75 -0.244 -7.092 -6.230 1.00 0.00 H new ATOM 0 HG23 THR A 75 -1.721 -6.735 -7.157 1.00 0.00 H new ATOM 1174 N PHE A 76 2.408 -3.869 -7.858 1.00 0.00 N ATOM 1175 CA PHE A 76 3.569 -3.235 -8.471 1.00 0.00 C ATOM 1176 C PHE A 76 4.862 -3.880 -7.983 1.00 0.00 C ATOM 1177 O PHE A 76 5.163 -3.868 -6.790 1.00 0.00 O ATOM 1178 CB PHE A 76 3.584 -1.737 -8.159 1.00 0.00 C ATOM 1179 CG PHE A 76 2.241 -1.081 -8.306 1.00 0.00 C ATOM 1180 CD1 PHE A 76 1.335 -1.083 -7.257 1.00 0.00 C ATOM 1181 CD2 PHE A 76 1.884 -0.462 -9.493 1.00 0.00 C ATOM 1182 CE1 PHE A 76 0.098 -0.479 -7.390 1.00 0.00 C ATOM 1183 CE2 PHE A 76 0.649 0.143 -9.631 1.00 0.00 C ATOM 1184 CZ PHE A 76 -0.245 0.134 -8.578 1.00 0.00 C ATOM 0 H PHE A 76 2.484 -4.002 -6.849 1.00 0.00 H new ATOM 0 HA PHE A 76 3.499 -3.373 -9.550 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.942 -1.590 -7.140 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.295 -1.243 -8.821 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.598 -1.562 -6.325 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.579 -0.452 -10.320 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.599 -0.487 -6.565 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.383 0.622 -10.561 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.211 0.606 -8.684 1.00 0.00 H new ATOM 1194 N ARG A 77 5.623 -4.445 -8.915 1.00 0.00 N ATOM 1195 CA ARG A 77 6.883 -5.097 -8.581 1.00 0.00 C ATOM 1196 C ARG A 77 7.788 -4.159 -7.787 1.00 0.00 C ATOM 1197 O ARG A 77 8.553 -4.597 -6.928 1.00 0.00 O ATOM 1198 CB ARG A 77 7.598 -5.556 -9.853 1.00 0.00 C ATOM 1199 CG ARG A 77 7.937 -4.420 -10.805 1.00 0.00 C ATOM 1200 CD ARG A 77 6.866 -4.248 -11.871 1.00 0.00 C ATOM 1201 NE ARG A 77 7.356 -3.498 -13.024 1.00 0.00 N ATOM 1202 CZ ARG A 77 6.823 -3.584 -14.237 1.00 0.00 C ATOM 1203 NH1 ARG A 77 5.787 -4.383 -14.455 1.00 0.00 N ATOM 1204 NH2 ARG A 77 7.325 -2.870 -15.236 1.00 0.00 N ATOM 0 H ARG A 77 5.388 -4.464 -9.907 1.00 0.00 H new ATOM 0 HA ARG A 77 6.659 -5.967 -7.964 1.00 0.00 H new ATOM 0 HB2 ARG A 77 8.517 -6.074 -9.577 1.00 0.00 H new ATOM 0 HB3 ARG A 77 6.969 -6.279 -10.373 1.00 0.00 H new ATOM 0 HG2 ARG A 77 8.044 -3.492 -10.243 1.00 0.00 H new ATOM 0 HG3 ARG A 77 8.897 -4.617 -11.281 1.00 0.00 H new ATOM 0 HD2 ARG A 77 6.519 -5.228 -12.197 1.00 0.00 H new ATOM 0 HD3 ARG A 77 6.007 -3.732 -11.442 1.00 0.00 H new ATOM 0 HE ARG A 77 8.151 -2.874 -12.890 1.00 0.00 H new ATOM 0 HH11 ARG A 77 5.398 -4.933 -13.690 1.00 0.00 H new ATOM 0 HH12 ARG A 77 5.380 -4.447 -15.388 1.00 0.00 H new ATOM 0 HH21 ARG A 77 8.121 -2.254 -15.073 1.00 0.00 H new ATOM 0 HH22 ARG A 77 6.915 -2.937 -16.167 1.00 0.00 H new ATOM 1218 N ARG A 78 7.694 -2.866 -8.081 1.00 0.00 N ATOM 1219 CA ARG A 78 8.504 -1.866 -7.396 1.00 0.00 C ATOM 1220 C ARG A 78 7.624 -0.784 -6.777 1.00 0.00 C ATOM 1221 O ARG A 78 6.459 -0.632 -7.145 1.00 0.00 O ATOM 1222 CB ARG A 78 9.501 -1.233 -8.369 1.00 0.00 C ATOM 1223 CG ARG A 78 10.432 -2.239 -9.026 1.00 0.00 C ATOM 1224 CD ARG A 78 11.426 -1.555 -9.953 1.00 0.00 C ATOM 1225 NE ARG A 78 12.319 -2.512 -10.600 1.00 0.00 N ATOM 1226 CZ ARG A 78 13.505 -2.187 -11.103 1.00 0.00 C ATOM 1227 NH1 ARG A 78 13.937 -0.936 -11.034 1.00 0.00 N ATOM 1228 NH2 ARG A 78 14.260 -3.114 -11.677 1.00 0.00 N ATOM 0 H ARG A 78 7.065 -2.487 -8.789 1.00 0.00 H new ATOM 0 HA ARG A 78 9.053 -2.365 -6.597 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.951 -0.700 -9.144 1.00 0.00 H new ATOM 0 HB3 ARG A 78 10.097 -0.493 -7.835 1.00 0.00 H new ATOM 0 HG2 ARG A 78 10.971 -2.793 -8.258 1.00 0.00 H new ATOM 0 HG3 ARG A 78 9.846 -2.964 -9.590 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.884 -0.993 -10.714 1.00 0.00 H new ATOM 0 HD3 ARG A 78 12.016 -0.836 -9.385 1.00 0.00 H new ATOM 0 HE ARG A 78 12.016 -3.483 -10.670 1.00 0.00 H new ATOM 0 HH11 ARG A 78 13.359 -0.220 -10.594 1.00 0.00 H new ATOM 0 HH12 ARG A 78 14.848 -0.689 -11.421 1.00 0.00 H new ATOM 0 HH21 ARG A 78 13.930 -4.078 -11.733 1.00 0.00 H new ATOM 0 HH22 ARG A 78 15.170 -2.863 -12.063 1.00 0.00 H new ATOM 1242 N ARG A 79 8.190 -0.035 -5.836 1.00 0.00 N ATOM 1243 CA ARG A 79 7.457 1.032 -5.165 1.00 0.00 C ATOM 1244 C ARG A 79 7.172 2.183 -6.125 1.00 0.00 C ATOM 1245 O ARG A 79 6.017 2.508 -6.395 1.00 0.00 O ATOM 1246 CB ARG A 79 8.247 1.542 -3.959 1.00 0.00 C ATOM 1247 CG ARG A 79 7.572 2.693 -3.232 1.00 0.00 C ATOM 1248 CD ARG A 79 6.415 2.208 -2.373 1.00 0.00 C ATOM 1249 NE ARG A 79 5.784 3.300 -1.636 1.00 0.00 N ATOM 1250 CZ ARG A 79 4.635 3.177 -0.981 1.00 0.00 C ATOM 1251 NH1 ARG A 79 3.994 2.016 -0.971 1.00 0.00 N ATOM 1252 NH2 ARG A 79 4.124 4.217 -0.334 1.00 0.00 N ATOM 0 H ARG A 79 9.154 -0.147 -5.521 1.00 0.00 H new ATOM 0 HA ARG A 79 6.506 0.625 -4.821 1.00 0.00 H new ATOM 0 HB2 ARG A 79 8.397 0.720 -3.260 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.235 1.862 -4.291 1.00 0.00 H new ATOM 0 HG2 ARG A 79 8.301 3.207 -2.605 1.00 0.00 H new ATOM 0 HG3 ARG A 79 7.208 3.420 -3.958 1.00 0.00 H new ATOM 0 HD2 ARG A 79 5.673 1.722 -3.006 1.00 0.00 H new ATOM 0 HD3 ARG A 79 6.776 1.457 -1.670 1.00 0.00 H new ATOM 0 HE ARG A 79 6.251 4.207 -1.624 1.00 0.00 H new ATOM 0 HH11 ARG A 79 4.383 1.214 -1.467 1.00 0.00 H new ATOM 0 HH12 ARG A 79 3.112 1.925 -0.467 1.00 0.00 H new ATOM 0 HH21 ARG A 79 4.614 5.112 -0.339 1.00 0.00 H new ATOM 0 HH22 ARG A 79 3.242 4.122 0.169 1.00 0.00 H new ATOM 1266 N MET A 80 8.235 2.796 -6.637 1.00 0.00 N ATOM 1267 CA MET A 80 8.099 3.911 -7.567 1.00 0.00 C ATOM 1268 C MET A 80 6.902 3.706 -8.490 1.00 0.00 C ATOM 1269 O MET A 80 6.099 4.616 -8.691 1.00 0.00 O ATOM 1270 CB MET A 80 9.375 4.070 -8.395 1.00 0.00 C ATOM 1271 CG MET A 80 9.272 5.138 -9.472 1.00 0.00 C ATOM 1272 SD MET A 80 9.787 6.765 -8.888 1.00 0.00 S ATOM 1273 CE MET A 80 8.234 7.409 -8.268 1.00 0.00 C ATOM 0 H MET A 80 9.199 2.539 -6.424 1.00 0.00 H new ATOM 0 HA MET A 80 7.936 4.819 -6.986 1.00 0.00 H new ATOM 0 HB2 MET A 80 10.202 4.316 -7.729 1.00 0.00 H new ATOM 0 HB3 MET A 80 9.616 3.116 -8.863 1.00 0.00 H new ATOM 0 HG2 MET A 80 9.888 4.850 -10.324 1.00 0.00 H new ATOM 0 HG3 MET A 80 8.243 5.193 -9.827 1.00 0.00 H new ATOM 0 HE1 MET A 80 8.131 8.454 -8.560 1.00 0.00 H new ATOM 0 HE2 MET A 80 7.408 6.832 -8.685 1.00 0.00 H new ATOM 0 HE3 MET A 80 8.217 7.333 -7.181 1.00 0.00 H new ATOM 1283 N GLU A 81 6.791 2.505 -9.050 1.00 0.00 N ATOM 1284 CA GLU A 81 5.692 2.183 -9.953 1.00 0.00 C ATOM 1285 C GLU A 81 4.349 2.554 -9.330 1.00 0.00 C ATOM 1286 O GLU A 81 3.510 3.190 -9.968 1.00 0.00 O ATOM 1287 CB GLU A 81 5.710 0.693 -10.303 1.00 0.00 C ATOM 1288 CG GLU A 81 6.973 0.253 -11.023 1.00 0.00 C ATOM 1289 CD GLU A 81 7.127 0.906 -12.383 1.00 0.00 C ATOM 1290 OE1 GLU A 81 6.126 0.972 -13.127 1.00 0.00 O ATOM 1291 OE2 GLU A 81 8.249 1.350 -12.703 1.00 0.00 O ATOM 0 H GLU A 81 7.448 1.740 -8.894 1.00 0.00 H new ATOM 0 HA GLU A 81 5.823 2.765 -10.865 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.603 0.112 -9.387 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.847 0.465 -10.928 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.840 0.494 -10.408 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.959 -0.830 -11.144 1.00 0.00 H new ATOM 1298 N LEU A 82 4.153 2.151 -8.079 1.00 0.00 N ATOM 1299 CA LEU A 82 2.912 2.440 -7.368 1.00 0.00 C ATOM 1300 C LEU A 82 2.640 3.941 -7.336 1.00 0.00 C ATOM 1301 O LEU A 82 1.490 4.374 -7.414 1.00 0.00 O ATOM 1302 CB LEU A 82 2.979 1.892 -5.942 1.00 0.00 C ATOM 1303 CG LEU A 82 1.939 2.438 -4.963 1.00 0.00 C ATOM 1304 CD1 LEU A 82 0.532 2.172 -5.476 1.00 0.00 C ATOM 1305 CD2 LEU A 82 2.130 1.824 -3.584 1.00 0.00 C ATOM 0 H LEU A 82 4.837 1.624 -7.536 1.00 0.00 H new ATOM 0 HA LEU A 82 2.095 1.952 -7.900 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.874 0.808 -5.986 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.971 2.100 -5.541 1.00 0.00 H new ATOM 0 HG LEU A 82 2.077 3.516 -4.881 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.195 2.567 -4.766 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.399 2.660 -6.442 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.383 1.098 -5.588 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.381 2.224 -2.901 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.020 0.742 -3.649 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.126 2.066 -3.213 1.00 0.00 H new ATOM 1317 N ARG A 83 3.704 4.728 -7.223 1.00 0.00 N ATOM 1318 CA ARG A 83 3.580 6.180 -7.181 1.00 0.00 C ATOM 1319 C ARG A 83 3.076 6.720 -8.516 1.00 0.00 C ATOM 1320 O ARG A 83 2.204 7.589 -8.557 1.00 0.00 O ATOM 1321 CB ARG A 83 4.926 6.819 -6.835 1.00 0.00 C ATOM 1322 CG ARG A 83 5.568 6.246 -5.582 1.00 0.00 C ATOM 1323 CD ARG A 83 4.847 6.708 -4.326 1.00 0.00 C ATOM 1324 NE ARG A 83 5.410 7.948 -3.797 1.00 0.00 N ATOM 1325 CZ ARG A 83 6.464 7.991 -2.990 1.00 0.00 C ATOM 1326 NH1 ARG A 83 7.067 6.869 -2.621 1.00 0.00 N ATOM 1327 NH2 ARG A 83 6.917 9.158 -2.550 1.00 0.00 N ATOM 0 H ARG A 83 4.662 4.385 -7.159 1.00 0.00 H new ATOM 0 HA ARG A 83 2.856 6.436 -6.408 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.608 6.687 -7.675 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.786 7.892 -6.703 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.555 5.157 -5.631 1.00 0.00 H new ATOM 0 HG3 ARG A 83 6.614 6.551 -5.536 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.790 6.855 -4.548 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.907 5.929 -3.566 1.00 0.00 H new ATOM 0 HE ARG A 83 4.969 8.829 -4.062 1.00 0.00 H new ATOM 0 HH11 ARG A 83 6.722 5.970 -2.957 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.876 6.905 -2.001 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.456 10.023 -2.831 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.727 9.190 -1.930 1.00 0.00 H new ATOM 1341 N LEU A 84 3.632 6.202 -9.606 1.00 0.00 N ATOM 1342 CA LEU A 84 3.239 6.632 -10.944 1.00 0.00 C ATOM 1343 C LEU A 84 1.836 6.142 -11.284 1.00 0.00 C ATOM 1344 O LEU A 84 1.226 6.596 -12.253 1.00 0.00 O ATOM 1345 CB LEU A 84 4.238 6.115 -11.981 1.00 0.00 C ATOM 1346 CG LEU A 84 5.707 6.115 -11.556 1.00 0.00 C ATOM 1347 CD1 LEU A 84 6.589 5.609 -12.687 1.00 0.00 C ATOM 1348 CD2 LEU A 84 6.137 7.510 -11.125 1.00 0.00 C ATOM 0 H LEU A 84 4.356 5.484 -9.590 1.00 0.00 H new ATOM 0 HA LEU A 84 3.237 7.722 -10.962 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.958 5.096 -12.249 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.141 6.720 -12.882 1.00 0.00 H new ATOM 0 HG LEU A 84 5.820 5.443 -10.706 1.00 0.00 H new ATOM 0 HD11 LEU A 84 7.631 5.616 -12.367 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.297 4.592 -12.949 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.472 6.256 -13.557 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.185 7.492 -10.826 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.009 8.203 -11.956 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.525 7.836 -10.284 1.00 0.00 H new ATOM 1360 N HIS A 85 1.327 5.214 -10.479 1.00 0.00 N ATOM 1361 CA HIS A 85 -0.007 4.665 -10.693 1.00 0.00 C ATOM 1362 C HIS A 85 -1.047 5.430 -9.880 1.00 0.00 C ATOM 1363 O HIS A 85 -2.153 5.686 -10.354 1.00 0.00 O ATOM 1364 CB HIS A 85 -0.037 3.183 -10.316 1.00 0.00 C ATOM 1365 CG HIS A 85 -1.421 2.638 -10.138 1.00 0.00 C ATOM 1366 ND1 HIS A 85 -2.253 2.666 -9.071 1.00 0.00 N flip ATOM 1367 CD2 HIS A 85 -2.100 1.969 -11.134 1.00 0.00 C flip ATOM 1368 CE1 HIS A 85 -3.408 2.020 -9.438 1.00 0.00 C flip ATOM 1369 NE2 HIS A 85 -3.290 1.609 -10.688 1.00 0.00 N flip ATOM 0 H HIS A 85 1.818 4.827 -9.673 1.00 0.00 H new ATOM 0 HA HIS A 85 -0.251 4.769 -11.750 1.00 0.00 H new ATOM 0 HB2 HIS A 85 0.474 2.609 -11.089 1.00 0.00 H new ATOM 0 HB3 HIS A 85 0.522 3.040 -9.391 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -2.058 3.088 -8.163 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -1.718 1.770 -12.125 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -4.272 1.872 -8.807 1.00 0.00 H new ATOM 1377 N MET A 86 -0.684 5.791 -8.654 1.00 0.00 N ATOM 1378 CA MET A 86 -1.586 6.527 -7.776 1.00 0.00 C ATOM 1379 C MET A 86 -2.125 7.773 -8.471 1.00 0.00 C ATOM 1380 O MET A 86 -3.255 8.193 -8.225 1.00 0.00 O ATOM 1381 CB MET A 86 -0.866 6.921 -6.484 1.00 0.00 C ATOM 1382 CG MET A 86 -0.418 5.731 -5.651 1.00 0.00 C ATOM 1383 SD MET A 86 -1.415 5.507 -4.166 1.00 0.00 S ATOM 1384 CE MET A 86 -3.060 5.441 -4.870 1.00 0.00 C ATOM 0 H MET A 86 0.228 5.586 -8.246 1.00 0.00 H new ATOM 0 HA MET A 86 -2.426 5.877 -7.532 1.00 0.00 H new ATOM 0 HB2 MET A 86 0.004 7.528 -6.733 1.00 0.00 H new ATOM 0 HB3 MET A 86 -1.529 7.545 -5.884 1.00 0.00 H new ATOM 0 HG2 MET A 86 -0.470 4.827 -6.258 1.00 0.00 H new ATOM 0 HG3 MET A 86 0.626 5.864 -5.366 1.00 0.00 H new ATOM 0 HE1 MET A 86 -3.648 6.280 -4.499 1.00 0.00 H new ATOM 0 HE2 MET A 86 -2.993 5.497 -5.957 1.00 0.00 H new ATOM 0 HE3 MET A 86 -3.541 4.506 -4.583 1.00 0.00 H new ATOM 1394 N VAL A 87 -1.309 8.359 -9.341 1.00 0.00 N ATOM 1395 CA VAL A 87 -1.705 9.557 -10.073 1.00 0.00 C ATOM 1396 C VAL A 87 -3.055 9.364 -10.754 1.00 0.00 C ATOM 1397 O VAL A 87 -3.817 10.315 -10.925 1.00 0.00 O ATOM 1398 CB VAL A 87 -0.656 9.938 -11.135 1.00 0.00 C ATOM 1399 CG1 VAL A 87 0.745 9.893 -10.543 1.00 0.00 C ATOM 1400 CG2 VAL A 87 -0.764 9.019 -12.343 1.00 0.00 C ATOM 0 H VAL A 87 -0.370 8.024 -9.556 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.782 10.363 -9.343 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.852 10.958 -11.465 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.472 10.165 -11.308 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.812 10.596 -9.713 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.956 8.886 -10.184 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.016 9.302 -13.084 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -0.595 7.988 -12.032 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.759 9.108 -12.780 1.00 0.00 H new ATOM 1410 N SER A 88 -3.345 8.126 -11.140 1.00 0.00 N ATOM 1411 CA SER A 88 -4.603 7.807 -11.805 1.00 0.00 C ATOM 1412 C SER A 88 -5.779 7.955 -10.844 1.00 0.00 C ATOM 1413 O SER A 88 -6.903 8.235 -11.260 1.00 0.00 O ATOM 1414 CB SER A 88 -4.562 6.384 -12.365 1.00 0.00 C ATOM 1415 OG SER A 88 -3.564 6.256 -13.362 1.00 0.00 O ATOM 0 H SER A 88 -2.726 7.327 -11.004 1.00 0.00 H new ATOM 0 HA SER A 88 -4.739 8.509 -12.628 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.367 5.678 -11.558 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.535 6.127 -12.785 1.00 0.00 H new ATOM 0 HG SER A 88 -3.557 5.337 -13.702 1.00 0.00 H new ATOM 1421 N HIS A 89 -5.510 7.765 -9.557 1.00 0.00 N ATOM 1422 CA HIS A 89 -6.545 7.877 -8.535 1.00 0.00 C ATOM 1423 C HIS A 89 -6.747 9.332 -8.124 1.00 0.00 C ATOM 1424 O HIS A 89 -7.868 9.842 -8.134 1.00 0.00 O ATOM 1425 CB HIS A 89 -6.177 7.036 -7.312 1.00 0.00 C ATOM 1426 CG HIS A 89 -6.334 5.563 -7.529 1.00 0.00 C ATOM 1427 ND1 HIS A 89 -7.509 4.987 -7.963 1.00 0.00 N ATOM 1428 CD2 HIS A 89 -5.455 4.546 -7.370 1.00 0.00 C ATOM 1429 CE1 HIS A 89 -7.346 3.680 -8.061 1.00 0.00 C ATOM 1430 NE2 HIS A 89 -6.108 3.386 -7.707 1.00 0.00 N ATOM 0 H HIS A 89 -4.585 7.533 -9.196 1.00 0.00 H new ATOM 0 HA HIS A 89 -7.479 7.504 -8.956 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -5.144 7.246 -7.034 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -6.801 7.340 -6.471 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -4.430 4.631 -7.039 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -8.098 2.972 -8.377 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -5.703 2.450 -7.687 1.00 0.00 H new ATOM 1438 N THR A 90 -5.654 9.998 -7.763 1.00 0.00 N ATOM 1439 CA THR A 90 -5.712 11.393 -7.347 1.00 0.00 C ATOM 1440 C THR A 90 -5.975 12.311 -8.535 1.00 0.00 C ATOM 1441 O THR A 90 -6.740 13.269 -8.435 1.00 0.00 O ATOM 1442 CB THR A 90 -4.405 11.828 -6.656 1.00 0.00 C ATOM 1443 OG1 THR A 90 -4.494 13.201 -6.260 1.00 0.00 O ATOM 1444 CG2 THR A 90 -3.214 11.639 -7.583 1.00 0.00 C ATOM 0 H THR A 90 -4.718 9.593 -7.751 1.00 0.00 H new ATOM 0 HA THR A 90 -6.535 11.477 -6.637 1.00 0.00 H new ATOM 0 HB THR A 90 -4.261 11.204 -5.774 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.660 13.469 -5.820 1.00 0.00 H new ATOM 0 HG21 THR A 90 -2.303 11.953 -7.073 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.131 10.588 -7.860 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.353 12.241 -8.481 1.00 0.00 H new ATOM 1452 N GLY A 91 -5.336 12.010 -9.662 1.00 0.00 N ATOM 1453 CA GLY A 91 -5.515 12.818 -10.854 1.00 0.00 C ATOM 1454 C GLY A 91 -4.219 13.027 -11.613 1.00 0.00 C ATOM 1455 O GLY A 91 -4.050 12.512 -12.718 1.00 0.00 O ATOM 0 H GLY A 91 -4.698 11.221 -9.770 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.242 12.338 -11.509 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -5.929 13.787 -10.574 1.00 0.00 H new ATOM 1505 N TYR A 95 4.473 17.574 -8.946 1.00 0.00 N ATOM 1506 CA TYR A 95 5.663 18.125 -9.584 1.00 0.00 C ATOM 1507 C TYR A 95 5.789 17.631 -11.021 1.00 0.00 C ATOM 1508 O TYR A 95 5.314 16.548 -11.363 1.00 0.00 O ATOM 1509 CB TYR A 95 6.914 17.746 -8.790 1.00 0.00 C ATOM 1510 CG TYR A 95 6.871 18.187 -7.344 1.00 0.00 C ATOM 1511 CD1 TYR A 95 7.262 19.469 -6.977 1.00 0.00 C ATOM 1512 CD2 TYR A 95 6.441 17.322 -6.346 1.00 0.00 C ATOM 1513 CE1 TYR A 95 7.226 19.877 -5.658 1.00 0.00 C ATOM 1514 CE2 TYR A 95 6.399 17.722 -5.024 1.00 0.00 C ATOM 1515 CZ TYR A 95 6.793 19.000 -4.685 1.00 0.00 C ATOM 1516 OH TYR A 95 6.755 19.401 -3.369 1.00 0.00 O ATOM 0 HA TYR A 95 5.566 19.211 -9.600 1.00 0.00 H new ATOM 0 HB2 TYR A 95 7.044 16.664 -8.827 1.00 0.00 H new ATOM 0 HB3 TYR A 95 7.787 18.189 -9.270 1.00 0.00 H new ATOM 0 HD1 TYR A 95 7.600 20.158 -7.737 1.00 0.00 H new ATOM 0 HD2 TYR A 95 6.134 16.320 -6.608 1.00 0.00 H new ATOM 0 HE1 TYR A 95 7.535 20.877 -5.390 1.00 0.00 H new ATOM 0 HE2 TYR A 95 6.060 17.038 -4.260 1.00 0.00 H new ATOM 0 HH TYR A 95 6.425 18.665 -2.812 1.00 0.00 H new ATOM 1526 N LYS A 96 6.435 18.433 -11.861 1.00 0.00 N ATOM 1527 CA LYS A 96 6.628 18.079 -13.262 1.00 0.00 C ATOM 1528 C LYS A 96 7.839 18.802 -13.844 1.00 0.00 C ATOM 1529 O LYS A 96 8.197 19.893 -13.399 1.00 0.00 O ATOM 1530 CB LYS A 96 5.377 18.424 -14.073 1.00 0.00 C ATOM 1531 CG LYS A 96 4.430 17.251 -14.258 1.00 0.00 C ATOM 1532 CD LYS A 96 2.985 17.711 -14.355 1.00 0.00 C ATOM 1533 CE LYS A 96 2.371 17.914 -12.979 1.00 0.00 C ATOM 1534 NZ LYS A 96 0.901 18.136 -13.054 1.00 0.00 N ATOM 0 H LYS A 96 6.834 19.333 -11.595 1.00 0.00 H new ATOM 0 HA LYS A 96 6.806 17.005 -13.319 1.00 0.00 H new ATOM 0 HB2 LYS A 96 4.845 19.235 -13.577 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.680 18.794 -15.053 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.700 16.703 -15.161 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.538 16.560 -13.422 1.00 0.00 H new ATOM 0 HD2 LYS A 96 2.936 18.643 -14.918 1.00 0.00 H new ATOM 0 HD3 LYS A 96 2.404 16.974 -14.909 1.00 0.00 H new ATOM 0 HE2 LYS A 96 2.575 17.042 -12.358 1.00 0.00 H new ATOM 0 HE3 LYS A 96 2.843 18.768 -12.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 0.521 18.270 -12.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.707 18.983 -13.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.447 17.310 -13.494 1.00 0.00 H new ATOM 1548 N CYS A 97 8.466 18.187 -14.841 1.00 0.00 N ATOM 1549 CA CYS A 97 9.636 18.772 -15.485 1.00 0.00 C ATOM 1550 C CYS A 97 9.223 19.792 -16.542 1.00 0.00 C ATOM 1551 O CYS A 97 8.041 20.101 -16.692 1.00 0.00 O ATOM 1552 CB CYS A 97 10.492 17.677 -16.126 1.00 0.00 C ATOM 1553 SG CYS A 97 12.279 18.031 -16.120 1.00 0.00 S ATOM 0 H CYS A 97 8.183 17.283 -15.221 1.00 0.00 H new ATOM 0 HA CYS A 97 10.222 19.283 -14.721 1.00 0.00 H new ATOM 0 HB2 CYS A 97 10.317 16.739 -15.600 1.00 0.00 H new ATOM 0 HB3 CYS A 97 10.165 17.531 -17.155 1.00 0.00 H new ATOM 0 HG CYS A 97 12.568 18.789 -15.104 1.00 0.00 H new ATOM 1558 N SER A 98 10.205 20.311 -17.271 1.00 0.00 N ATOM 1559 CA SER A 98 9.944 21.300 -18.312 1.00 0.00 C ATOM 1560 C SER A 98 10.485 20.827 -19.658 1.00 0.00 C ATOM 1561 O SER A 98 9.816 20.946 -20.684 1.00 0.00 O ATOM 1562 CB SER A 98 10.576 22.642 -17.939 1.00 0.00 C ATOM 1563 OG SER A 98 10.104 23.679 -18.781 1.00 0.00 O ATOM 0 H SER A 98 11.188 20.064 -17.161 1.00 0.00 H new ATOM 0 HA SER A 98 8.865 21.426 -18.398 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.346 22.880 -16.900 1.00 0.00 H new ATOM 0 HB3 SER A 98 11.661 22.571 -18.017 1.00 0.00 H new ATOM 0 HG SER A 98 10.522 24.527 -18.521 1.00 0.00 H new ATOM 1569 N SER A 99 11.701 20.290 -19.645 1.00 0.00 N ATOM 1570 CA SER A 99 12.334 19.802 -20.864 1.00 0.00 C ATOM 1571 C SER A 99 11.694 18.495 -21.323 1.00 0.00 C ATOM 1572 O SER A 99 11.294 18.359 -22.480 1.00 0.00 O ATOM 1573 CB SER A 99 13.833 19.597 -20.638 1.00 0.00 C ATOM 1574 OG SER A 99 14.552 19.709 -21.854 1.00 0.00 O ATOM 0 H SER A 99 12.267 20.182 -18.803 1.00 0.00 H new ATOM 0 HA SER A 99 12.190 20.550 -21.643 1.00 0.00 H new ATOM 0 HB2 SER A 99 14.201 20.335 -19.925 1.00 0.00 H new ATOM 0 HB3 SER A 99 14.007 18.615 -20.198 1.00 0.00 H new ATOM 0 HG SER A 99 15.508 19.576 -21.682 1.00 0.00 H new ATOM 1580 N CYS A 100 11.601 17.536 -20.409 1.00 0.00 N ATOM 1581 CA CYS A 100 11.011 16.239 -20.718 1.00 0.00 C ATOM 1582 C CYS A 100 9.547 16.192 -20.289 1.00 0.00 C ATOM 1583 O CYS A 100 8.806 15.287 -20.673 1.00 0.00 O ATOM 1584 CB CYS A 100 11.793 15.121 -20.025 1.00 0.00 C ATOM 1585 SG CYS A 100 11.622 15.108 -18.211 1.00 0.00 S ATOM 0 H CYS A 100 11.927 17.632 -19.447 1.00 0.00 H new ATOM 0 HA CYS A 100 11.061 16.093 -21.797 1.00 0.00 H new ATOM 0 HB2 CYS A 100 11.458 14.161 -20.418 1.00 0.00 H new ATOM 0 HB3 CYS A 100 12.848 15.219 -20.279 1.00 0.00 H new ATOM 0 HG CYS A 100 11.962 16.269 -17.735 1.00 0.00 H new ATOM 1590 N SER A 101 9.138 17.172 -19.491 1.00 0.00 N ATOM 1591 CA SER A 101 7.765 17.241 -19.007 1.00 0.00 C ATOM 1592 C SER A 101 7.432 16.030 -18.141 1.00 0.00 C ATOM 1593 O SER A 101 6.287 15.582 -18.095 1.00 0.00 O ATOM 1594 CB SER A 101 6.790 17.324 -20.183 1.00 0.00 C ATOM 1595 OG SER A 101 6.478 16.033 -20.678 1.00 0.00 O ATOM 0 H SER A 101 9.738 17.930 -19.166 1.00 0.00 H new ATOM 0 HA SER A 101 7.666 18.140 -18.398 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.876 17.827 -19.867 1.00 0.00 H new ATOM 0 HB3 SER A 101 7.226 17.927 -20.979 1.00 0.00 H new ATOM 0 HG SER A 101 7.294 15.603 -21.009 1.00 0.00 H new ATOM 1601 N GLN A 102 8.443 15.505 -17.456 1.00 0.00 N ATOM 1602 CA GLN A 102 8.259 14.345 -16.592 1.00 0.00 C ATOM 1603 C GLN A 102 7.334 14.676 -15.425 1.00 0.00 C ATOM 1604 O GLN A 102 6.775 15.771 -15.356 1.00 0.00 O ATOM 1605 CB GLN A 102 9.609 13.856 -16.064 1.00 0.00 C ATOM 1606 CG GLN A 102 10.251 12.788 -16.934 1.00 0.00 C ATOM 1607 CD GLN A 102 9.877 11.383 -16.505 1.00 0.00 C ATOM 1608 OE1 GLN A 102 8.710 10.993 -16.564 1.00 0.00 O ATOM 1609 NE2 GLN A 102 10.867 10.613 -16.068 1.00 0.00 N ATOM 0 H GLN A 102 9.397 15.864 -17.483 1.00 0.00 H new ATOM 0 HA GLN A 102 7.799 13.553 -17.183 1.00 0.00 H new ATOM 0 HB2 GLN A 102 10.288 14.705 -15.985 1.00 0.00 H new ATOM 0 HB3 GLN A 102 9.474 13.460 -15.057 1.00 0.00 H new ATOM 0 HG2 GLN A 102 9.950 12.940 -17.970 1.00 0.00 H new ATOM 0 HG3 GLN A 102 11.335 12.898 -16.898 1.00 0.00 H new ATOM 0 HE21 GLN A 102 11.820 10.976 -16.036 1.00 0.00 H new ATOM 0 HE22 GLN A 102 10.675 9.658 -15.765 1.00 0.00 H new ATOM 1618 N GLN A 103 7.177 13.724 -14.511 1.00 0.00 N ATOM 1619 CA GLN A 103 6.319 13.915 -13.349 1.00 0.00 C ATOM 1620 C GLN A 103 6.941 13.292 -12.104 1.00 0.00 C ATOM 1621 O GLN A 103 7.683 12.313 -12.191 1.00 0.00 O ATOM 1622 CB GLN A 103 4.938 13.307 -13.602 1.00 0.00 C ATOM 1623 CG GLN A 103 4.311 13.748 -14.915 1.00 0.00 C ATOM 1624 CD GLN A 103 2.959 13.106 -15.160 1.00 0.00 C ATOM 1625 OE1 GLN A 103 2.722 12.516 -16.214 1.00 0.00 O ATOM 1626 NE2 GLN A 103 2.065 13.218 -14.185 1.00 0.00 N ATOM 0 H GLN A 103 7.633 12.813 -14.553 1.00 0.00 H new ATOM 0 HA GLN A 103 6.211 14.987 -13.182 1.00 0.00 H new ATOM 0 HB2 GLN A 103 5.022 12.220 -13.596 1.00 0.00 H new ATOM 0 HB3 GLN A 103 4.274 13.580 -12.782 1.00 0.00 H new ATOM 0 HG2 GLN A 103 4.199 14.832 -14.914 1.00 0.00 H new ATOM 0 HG3 GLN A 103 4.982 13.497 -15.736 1.00 0.00 H new ATOM 0 HE21 GLN A 103 2.305 13.716 -13.328 1.00 0.00 H new ATOM 0 HE22 GLN A 103 1.138 12.806 -14.293 1.00 0.00 H new ATOM 1635 N PHE A 104 6.635 13.866 -10.945 1.00 0.00 N ATOM 1636 CA PHE A 104 7.166 13.367 -9.681 1.00 0.00 C ATOM 1637 C PHE A 104 6.195 13.642 -8.537 1.00 0.00 C ATOM 1638 O PHE A 104 5.300 14.479 -8.656 1.00 0.00 O ATOM 1639 CB PHE A 104 8.521 14.013 -9.382 1.00 0.00 C ATOM 1640 CG PHE A 104 9.477 13.965 -10.540 1.00 0.00 C ATOM 1641 CD1 PHE A 104 9.220 14.680 -11.698 1.00 0.00 C ATOM 1642 CD2 PHE A 104 10.632 13.204 -10.469 1.00 0.00 C ATOM 1643 CE1 PHE A 104 10.097 14.636 -12.765 1.00 0.00 C ATOM 1644 CE2 PHE A 104 11.514 13.157 -11.533 1.00 0.00 C ATOM 1645 CZ PHE A 104 11.246 13.875 -12.681 1.00 0.00 C ATOM 0 H PHE A 104 6.022 14.677 -10.855 1.00 0.00 H new ATOM 0 HA PHE A 104 7.298 12.289 -9.771 1.00 0.00 H new ATOM 0 HB2 PHE A 104 8.363 15.052 -9.094 1.00 0.00 H new ATOM 0 HB3 PHE A 104 8.973 13.511 -8.527 1.00 0.00 H new ATOM 0 HD1 PHE A 104 8.324 15.279 -11.768 1.00 0.00 H new ATOM 0 HD2 PHE A 104 10.846 12.641 -9.573 1.00 0.00 H new ATOM 0 HE1 PHE A 104 9.884 15.196 -13.663 1.00 0.00 H new ATOM 0 HE2 PHE A 104 12.411 12.559 -11.466 1.00 0.00 H new ATOM 0 HZ PHE A 104 11.934 13.842 -13.513 1.00 0.00 H new ATOM 1655 N MET A 105 6.378 12.931 -7.429 1.00 0.00 N ATOM 1656 CA MET A 105 5.519 13.099 -6.263 1.00 0.00 C ATOM 1657 C MET A 105 6.146 14.063 -5.260 1.00 0.00 C ATOM 1658 O MET A 105 5.440 14.727 -4.501 1.00 0.00 O ATOM 1659 CB MET A 105 5.260 11.747 -5.595 1.00 0.00 C ATOM 1660 CG MET A 105 4.037 11.026 -6.138 1.00 0.00 C ATOM 1661 SD MET A 105 2.544 12.033 -6.057 1.00 0.00 S ATOM 1662 CE MET A 105 1.655 11.438 -7.494 1.00 0.00 C ATOM 0 H MET A 105 7.113 12.233 -7.314 1.00 0.00 H new ATOM 0 HA MET A 105 4.570 13.518 -6.599 1.00 0.00 H new ATOM 0 HB2 MET A 105 6.135 11.111 -5.728 1.00 0.00 H new ATOM 0 HB3 MET A 105 5.136 11.898 -4.523 1.00 0.00 H new ATOM 0 HG2 MET A 105 4.220 10.737 -7.173 1.00 0.00 H new ATOM 0 HG3 MET A 105 3.882 10.107 -5.573 1.00 0.00 H new ATOM 0 HE1 MET A 105 0.600 11.698 -7.403 1.00 0.00 H new ATOM 0 HE2 MET A 105 2.066 11.898 -8.392 1.00 0.00 H new ATOM 0 HE3 MET A 105 1.757 10.355 -7.562 1.00 0.00 H new ATOM 1672 N GLN A 106 7.473 14.133 -5.263 1.00 0.00 N ATOM 1673 CA GLN A 106 8.193 15.015 -4.352 1.00 0.00 C ATOM 1674 C GLN A 106 9.094 15.975 -5.123 1.00 0.00 C ATOM 1675 O GLN A 106 9.618 15.635 -6.184 1.00 0.00 O ATOM 1676 CB GLN A 106 9.026 14.194 -3.367 1.00 0.00 C ATOM 1677 CG GLN A 106 8.325 12.939 -2.874 1.00 0.00 C ATOM 1678 CD GLN A 106 8.757 12.538 -1.477 1.00 0.00 C ATOM 1679 OE1 GLN A 106 9.695 11.760 -1.305 1.00 0.00 O ATOM 1680 NE2 GLN A 106 8.073 13.070 -0.471 1.00 0.00 N ATOM 0 H GLN A 106 8.071 13.590 -5.886 1.00 0.00 H new ATOM 0 HA GLN A 106 7.460 15.601 -3.797 1.00 0.00 H new ATOM 0 HB2 GLN A 106 9.964 13.912 -3.845 1.00 0.00 H new ATOM 0 HB3 GLN A 106 9.280 14.818 -2.510 1.00 0.00 H new ATOM 0 HG2 GLN A 106 7.247 13.102 -2.884 1.00 0.00 H new ATOM 0 HG3 GLN A 106 8.530 12.119 -3.563 1.00 0.00 H new ATOM 0 HE21 GLN A 106 7.302 13.711 -0.661 1.00 0.00 H new ATOM 0 HE22 GLN A 106 8.318 12.838 0.492 1.00 0.00 H new ATOM 1689 N LYS A 107 9.270 17.175 -4.582 1.00 0.00 N ATOM 1690 CA LYS A 107 10.108 18.185 -5.217 1.00 0.00 C ATOM 1691 C LYS A 107 11.540 17.684 -5.374 1.00 0.00 C ATOM 1692 O LYS A 107 12.075 17.636 -6.482 1.00 0.00 O ATOM 1693 CB LYS A 107 10.096 19.477 -4.396 1.00 0.00 C ATOM 1694 CG LYS A 107 10.641 20.680 -5.147 1.00 0.00 C ATOM 1695 CD LYS A 107 10.154 21.984 -4.539 1.00 0.00 C ATOM 1696 CE LYS A 107 11.126 23.123 -4.810 1.00 0.00 C ATOM 1697 NZ LYS A 107 10.453 24.450 -4.758 1.00 0.00 N ATOM 0 H LYS A 107 8.843 17.472 -3.705 1.00 0.00 H new ATOM 0 HA LYS A 107 9.702 18.387 -6.208 1.00 0.00 H new ATOM 0 HB2 LYS A 107 9.074 19.688 -4.081 1.00 0.00 H new ATOM 0 HB3 LYS A 107 10.684 19.328 -3.490 1.00 0.00 H new ATOM 0 HG2 LYS A 107 11.731 20.656 -5.133 1.00 0.00 H new ATOM 0 HG3 LYS A 107 10.334 20.628 -6.192 1.00 0.00 H new ATOM 0 HD2 LYS A 107 9.175 22.234 -4.948 1.00 0.00 H new ATOM 0 HD3 LYS A 107 10.028 21.860 -3.463 1.00 0.00 H new ATOM 0 HE2 LYS A 107 11.932 23.095 -4.076 1.00 0.00 H new ATOM 0 HE3 LYS A 107 11.583 22.985 -5.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 11.148 25.200 -4.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 9.701 24.486 -5.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 10.039 24.593 -3.815 1.00 0.00 H new ATOM 1711 N LYS A 108 12.157 17.309 -4.258 1.00 0.00 N ATOM 1712 CA LYS A 108 13.526 16.808 -4.271 1.00 0.00 C ATOM 1713 C LYS A 108 13.709 15.754 -5.359 1.00 0.00 C ATOM 1714 O LYS A 108 14.760 15.683 -5.997 1.00 0.00 O ATOM 1715 CB LYS A 108 13.887 16.216 -2.907 1.00 0.00 C ATOM 1716 CG LYS A 108 12.920 15.145 -2.433 1.00 0.00 C ATOM 1717 CD LYS A 108 11.750 15.747 -1.673 1.00 0.00 C ATOM 1718 CE LYS A 108 11.234 14.799 -0.602 1.00 0.00 C ATOM 1719 NZ LYS A 108 12.065 14.851 0.632 1.00 0.00 N ATOM 0 H LYS A 108 11.730 17.343 -3.332 1.00 0.00 H new ATOM 0 HA LYS A 108 14.191 17.645 -4.485 1.00 0.00 H new ATOM 0 HB2 LYS A 108 14.889 15.791 -2.959 1.00 0.00 H new ATOM 0 HB3 LYS A 108 13.918 17.018 -2.169 1.00 0.00 H new ATOM 0 HG2 LYS A 108 12.548 14.584 -3.290 1.00 0.00 H new ATOM 0 HG3 LYS A 108 13.445 14.437 -1.792 1.00 0.00 H new ATOM 0 HD2 LYS A 108 12.058 16.685 -1.212 1.00 0.00 H new ATOM 0 HD3 LYS A 108 10.945 15.983 -2.369 1.00 0.00 H new ATOM 0 HE2 LYS A 108 10.203 15.055 -0.357 1.00 0.00 H new ATOM 0 HE3 LYS A 108 11.226 13.781 -0.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 11.681 14.191 1.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 13.043 14.582 0.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 12.053 15.816 1.018 1.00 0.00 H new ATOM 1733 N ASP A 109 12.681 14.939 -5.566 1.00 0.00 N ATOM 1734 CA ASP A 109 12.728 13.891 -6.578 1.00 0.00 C ATOM 1735 C ASP A 109 12.908 14.488 -7.970 1.00 0.00 C ATOM 1736 O ASP A 109 13.545 13.887 -8.837 1.00 0.00 O ATOM 1737 CB ASP A 109 11.452 13.049 -6.532 1.00 0.00 C ATOM 1738 CG ASP A 109 11.685 11.618 -6.973 1.00 0.00 C ATOM 1739 OD1 ASP A 109 12.717 11.036 -6.577 1.00 0.00 O ATOM 1740 OD2 ASP A 109 10.836 11.079 -7.712 1.00 0.00 O ATOM 0 H ASP A 109 11.805 14.984 -5.046 1.00 0.00 H new ATOM 0 HA ASP A 109 13.584 13.251 -6.363 1.00 0.00 H new ATOM 0 HB2 ASP A 109 11.054 13.053 -5.517 1.00 0.00 H new ATOM 0 HB3 ASP A 109 10.697 13.505 -7.172 1.00 0.00 H new ATOM 1745 N LEU A 110 12.343 15.671 -8.178 1.00 0.00 N ATOM 1746 CA LEU A 110 12.440 16.350 -9.466 1.00 0.00 C ATOM 1747 C LEU A 110 13.785 17.054 -9.611 1.00 0.00 C ATOM 1748 O LEU A 110 14.451 16.935 -10.639 1.00 0.00 O ATOM 1749 CB LEU A 110 11.303 17.362 -9.619 1.00 0.00 C ATOM 1750 CG LEU A 110 11.463 18.387 -10.742 1.00 0.00 C ATOM 1751 CD1 LEU A 110 11.577 17.691 -12.089 1.00 0.00 C ATOM 1752 CD2 LEU A 110 10.297 19.365 -10.742 1.00 0.00 C ATOM 0 H LEU A 110 11.812 16.181 -7.472 1.00 0.00 H new ATOM 0 HA LEU A 110 12.357 15.599 -10.251 1.00 0.00 H new ATOM 0 HB2 LEU A 110 10.375 16.814 -9.784 1.00 0.00 H new ATOM 0 HB3 LEU A 110 11.192 17.899 -8.677 1.00 0.00 H new ATOM 0 HG LEU A 110 12.381 18.947 -10.567 1.00 0.00 H new ATOM 0 HD11 LEU A 110 11.690 18.437 -12.876 1.00 0.00 H new ATOM 0 HD12 LEU A 110 12.445 17.032 -12.086 1.00 0.00 H new ATOM 0 HD13 LEU A 110 10.677 17.104 -12.273 1.00 0.00 H new ATOM 0 HD21 LEU A 110 10.428 20.087 -11.548 1.00 0.00 H new ATOM 0 HD22 LEU A 110 9.365 18.820 -10.891 1.00 0.00 H new ATOM 0 HD23 LEU A 110 10.262 19.889 -9.787 1.00 0.00 H new ATOM 1764 N GLN A 111 14.179 17.785 -8.573 1.00 0.00 N ATOM 1765 CA GLN A 111 15.446 18.507 -8.584 1.00 0.00 C ATOM 1766 C GLN A 111 16.600 17.576 -8.940 1.00 0.00 C ATOM 1767 O GLN A 111 17.401 17.874 -9.825 1.00 0.00 O ATOM 1768 CB GLN A 111 15.700 19.156 -7.223 1.00 0.00 C ATOM 1769 CG GLN A 111 14.656 20.192 -6.838 1.00 0.00 C ATOM 1770 CD GLN A 111 15.205 21.259 -5.911 1.00 0.00 C ATOM 1771 OE1 GLN A 111 16.419 21.420 -5.783 1.00 0.00 O ATOM 1772 NE2 GLN A 111 14.312 21.994 -5.259 1.00 0.00 N ATOM 0 H GLN A 111 13.639 17.893 -7.714 1.00 0.00 H new ATOM 0 HA GLN A 111 15.384 19.286 -9.344 1.00 0.00 H new ATOM 0 HB2 GLN A 111 15.728 18.379 -6.459 1.00 0.00 H new ATOM 0 HB3 GLN A 111 16.682 19.629 -7.233 1.00 0.00 H new ATOM 0 HG2 GLN A 111 14.269 20.665 -7.741 1.00 0.00 H new ATOM 0 HG3 GLN A 111 13.816 19.693 -6.354 1.00 0.00 H new ATOM 0 HE21 GLN A 111 13.315 21.826 -5.396 1.00 0.00 H new ATOM 0 HE22 GLN A 111 14.623 22.727 -4.621 1.00 0.00 H new ATOM 1781 N SER A 112 16.678 16.446 -8.243 1.00 0.00 N ATOM 1782 CA SER A 112 17.737 15.473 -8.483 1.00 0.00 C ATOM 1783 C SER A 112 17.657 14.921 -9.903 1.00 0.00 C ATOM 1784 O SER A 112 18.680 14.668 -10.542 1.00 0.00 O ATOM 1785 CB SER A 112 17.643 14.327 -7.473 1.00 0.00 C ATOM 1786 OG SER A 112 18.923 13.782 -7.200 1.00 0.00 O ATOM 0 H SER A 112 16.021 16.182 -7.509 1.00 0.00 H new ATOM 0 HA SER A 112 18.695 15.978 -8.362 1.00 0.00 H new ATOM 0 HB2 SER A 112 17.193 14.689 -6.548 1.00 0.00 H new ATOM 0 HB3 SER A 112 16.988 13.548 -7.862 1.00 0.00 H new ATOM 0 HG SER A 112 18.836 13.053 -6.551 1.00 0.00 H new ATOM 1792 N HIS A 113 16.435 14.738 -10.392 1.00 0.00 N ATOM 1793 CA HIS A 113 16.220 14.217 -11.738 1.00 0.00 C ATOM 1794 C HIS A 113 16.748 15.190 -12.788 1.00 0.00 C ATOM 1795 O HIS A 113 17.259 14.778 -13.829 1.00 0.00 O ATOM 1796 CB HIS A 113 14.733 13.952 -11.973 1.00 0.00 C ATOM 1797 CG HIS A 113 14.313 14.122 -13.401 1.00 0.00 C ATOM 1798 ND1 HIS A 113 13.872 15.212 -14.071 1.00 0.00 N flip ATOM 1799 CD2 HIS A 113 14.318 13.089 -14.314 1.00 0.00 C flip ATOM 1800 CE1 HIS A 113 13.623 14.823 -15.364 1.00 0.00 C flip ATOM 1801 NE2 HIS A 113 13.900 13.537 -15.485 1.00 0.00 N flip ATOM 0 H HIS A 113 15.579 14.942 -9.877 1.00 0.00 H new ATOM 0 HA HIS A 113 16.767 13.279 -11.830 1.00 0.00 H new ATOM 0 HB2 HIS A 113 14.498 12.937 -11.652 1.00 0.00 H new ATOM 0 HB3 HIS A 113 14.149 14.627 -11.348 1.00 0.00 H new ATOM 0 HD2 HIS A 113 14.617 12.072 -14.105 1.00 0.00 H new ATOM 0 HE1 HIS A 113 13.260 15.464 -16.154 1.00 0.00 H new ATOM 0 HE2 HIS A 113 13.807 12.984 -16.337 1.00 0.00 H new ATOM 1809 N MET A 114 16.621 16.483 -12.506 1.00 0.00 N ATOM 1810 CA MET A 114 17.087 17.514 -13.427 1.00 0.00 C ATOM 1811 C MET A 114 18.585 17.750 -13.266 1.00 0.00 C ATOM 1812 O MET A 114 19.237 18.288 -14.162 1.00 0.00 O ATOM 1813 CB MET A 114 16.325 18.819 -13.191 1.00 0.00 C ATOM 1814 CG MET A 114 14.816 18.672 -13.309 1.00 0.00 C ATOM 1815 SD MET A 114 13.995 20.231 -13.694 1.00 0.00 S ATOM 1816 CE MET A 114 14.597 20.530 -15.354 1.00 0.00 C ATOM 0 H MET A 114 16.200 16.841 -11.649 1.00 0.00 H new ATOM 0 HA MET A 114 16.899 17.170 -14.444 1.00 0.00 H new ATOM 0 HB2 MET A 114 16.568 19.198 -12.198 1.00 0.00 H new ATOM 0 HB3 MET A 114 16.666 19.564 -13.909 1.00 0.00 H new ATOM 0 HG2 MET A 114 14.585 17.943 -14.086 1.00 0.00 H new ATOM 0 HG3 MET A 114 14.419 18.278 -12.374 1.00 0.00 H new ATOM 0 HE1 MET A 114 15.216 21.427 -15.360 1.00 0.00 H new ATOM 0 HE2 MET A 114 15.190 19.678 -15.685 1.00 0.00 H new ATOM 0 HE3 MET A 114 13.752 20.668 -16.028 1.00 0.00 H new ATOM 1826 N ILE A 115 19.124 17.345 -12.121 1.00 0.00 N ATOM 1827 CA ILE A 115 20.545 17.513 -11.845 1.00 0.00 C ATOM 1828 C ILE A 115 21.352 16.334 -12.380 1.00 0.00 C ATOM 1829 O ILE A 115 22.536 16.467 -12.691 1.00 0.00 O ATOM 1830 CB ILE A 115 20.812 17.659 -10.335 1.00 0.00 C ATOM 1831 CG1 ILE A 115 20.200 18.960 -9.811 1.00 0.00 C ATOM 1832 CG2 ILE A 115 22.307 17.620 -10.055 1.00 0.00 C ATOM 1833 CD1 ILE A 115 19.744 18.876 -8.371 1.00 0.00 C ATOM 0 H ILE A 115 18.598 16.898 -11.370 1.00 0.00 H new ATOM 0 HA ILE A 115 20.859 18.426 -12.351 1.00 0.00 H new ATOM 0 HB ILE A 115 20.343 16.823 -9.815 1.00 0.00 H new ATOM 0 HG12 ILE A 115 20.933 19.761 -9.905 1.00 0.00 H new ATOM 0 HG13 ILE A 115 19.350 19.231 -10.438 1.00 0.00 H new ATOM 0 HG21 ILE A 115 22.479 17.724 -8.984 1.00 0.00 H new ATOM 0 HG22 ILE A 115 22.717 16.670 -10.398 1.00 0.00 H new ATOM 0 HG23 ILE A 115 22.797 18.438 -10.583 1.00 0.00 H new ATOM 0 HD11 ILE A 115 19.321 19.833 -8.067 1.00 0.00 H new ATOM 0 HD12 ILE A 115 18.987 18.098 -8.274 1.00 0.00 H new ATOM 0 HD13 ILE A 115 20.595 18.636 -7.733 1.00 0.00 H new ATOM 1845 N LYS A 116 20.702 15.180 -12.487 1.00 0.00 N ATOM 1846 CA LYS A 116 21.357 13.977 -12.988 1.00 0.00 C ATOM 1847 C LYS A 116 21.186 13.854 -14.499 1.00 0.00 C ATOM 1848 O LYS A 116 22.167 13.799 -15.242 1.00 0.00 O ATOM 1849 CB LYS A 116 20.787 12.736 -12.297 1.00 0.00 C ATOM 1850 CG LYS A 116 21.514 12.365 -11.016 1.00 0.00 C ATOM 1851 CD LYS A 116 20.964 13.127 -9.822 1.00 0.00 C ATOM 1852 CE LYS A 116 21.648 12.706 -8.530 1.00 0.00 C ATOM 1853 NZ LYS A 116 23.016 13.282 -8.414 1.00 0.00 N ATOM 0 H LYS A 116 19.722 15.052 -12.234 1.00 0.00 H new ATOM 0 HA LYS A 116 22.421 14.053 -12.765 1.00 0.00 H new ATOM 0 HB2 LYS A 116 19.735 12.908 -12.071 1.00 0.00 H new ATOM 0 HB3 LYS A 116 20.832 11.894 -12.987 1.00 0.00 H new ATOM 0 HG2 LYS A 116 21.419 11.293 -10.840 1.00 0.00 H new ATOM 0 HG3 LYS A 116 22.578 12.577 -11.126 1.00 0.00 H new ATOM 0 HD2 LYS A 116 21.103 14.197 -9.977 1.00 0.00 H new ATOM 0 HD3 LYS A 116 19.891 12.953 -9.741 1.00 0.00 H new ATOM 0 HE2 LYS A 116 21.046 13.026 -7.679 1.00 0.00 H new ATOM 0 HE3 LYS A 116 21.707 11.618 -8.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 23.449 12.972 -7.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 23.598 12.957 -9.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 22.958 14.320 -8.428 1.00 0.00 H new ATOM 1867 N LEU A 117 19.936 13.812 -14.947 1.00 0.00 N ATOM 1868 CA LEU A 117 19.637 13.697 -16.370 1.00 0.00 C ATOM 1869 C LEU A 117 19.829 15.035 -17.077 1.00 0.00 C ATOM 1870 O LEU A 117 20.533 15.123 -18.083 1.00 0.00 O ATOM 1871 CB LEU A 117 18.204 13.202 -16.572 1.00 0.00 C ATOM 1872 CG LEU A 117 17.727 12.117 -15.606 1.00 0.00 C ATOM 1873 CD1 LEU A 117 16.490 11.422 -16.153 1.00 0.00 C ATOM 1874 CD2 LEU A 117 18.837 11.108 -15.347 1.00 0.00 C ATOM 0 H LEU A 117 19.113 13.856 -14.345 1.00 0.00 H new ATOM 0 HA LEU A 117 20.329 12.975 -16.804 1.00 0.00 H new ATOM 0 HB2 LEU A 117 17.531 14.055 -16.490 1.00 0.00 H new ATOM 0 HB3 LEU A 117 18.112 12.821 -17.589 1.00 0.00 H new ATOM 0 HG LEU A 117 17.465 12.590 -14.660 1.00 0.00 H new ATOM 0 HD11 LEU A 117 16.165 10.653 -15.452 1.00 0.00 H new ATOM 0 HD12 LEU A 117 15.692 12.152 -16.287 1.00 0.00 H new ATOM 0 HD13 LEU A 117 16.726 10.962 -17.113 1.00 0.00 H new ATOM 0 HD21 LEU A 117 18.480 10.343 -14.657 1.00 0.00 H new ATOM 0 HD22 LEU A 117 19.130 10.641 -16.287 1.00 0.00 H new ATOM 0 HD23 LEU A 117 19.697 11.617 -14.911 1.00 0.00 H new ATOM 1886 N HIS A 118 19.199 16.077 -16.542 1.00 0.00 N ATOM 1887 CA HIS A 118 19.303 17.412 -17.120 1.00 0.00 C ATOM 1888 C HIS A 118 20.479 18.175 -16.518 1.00 0.00 C ATOM 1889 O HIS A 118 20.415 19.390 -16.335 1.00 0.00 O ATOM 1890 CB HIS A 118 18.007 18.190 -16.894 1.00 0.00 C ATOM 1891 CG HIS A 118 16.811 17.563 -17.542 1.00 0.00 C ATOM 1892 ND1 HIS A 118 16.770 17.224 -18.878 1.00 0.00 N ATOM 1893 CD2 HIS A 118 15.609 17.211 -17.029 1.00 0.00 C ATOM 1894 CE1 HIS A 118 15.594 16.693 -19.160 1.00 0.00 C ATOM 1895 NE2 HIS A 118 14.870 16.673 -18.055 1.00 0.00 N ATOM 0 H HIS A 118 18.612 16.022 -15.710 1.00 0.00 H new ATOM 0 HA HIS A 118 19.472 17.305 -18.191 1.00 0.00 H new ATOM 0 HB2 HIS A 118 17.826 18.275 -15.822 1.00 0.00 H new ATOM 0 HB3 HIS A 118 18.129 19.203 -17.278 1.00 0.00 H new ATOM 0 HD2 HIS A 118 15.290 17.331 -16.004 1.00 0.00 H new ATOM 0 HE1 HIS A 118 15.278 16.336 -20.129 1.00 0.00 H new ATOM 0 HE2 HIS A 118 13.918 16.316 -17.976 1.00 0.00 H new