USER MOD reduce.3.24.130724 H: found=0, std=0, add=915, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 914 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: B 163 SER OG : rot -126:sc= 1.31 USER MOD Set 1.2: B 165 THR OG1 : rot 180:sc= 1 USER MOD Set 2.1: A 67 TYR OH : rot -15:sc= 0.311 USER MOD Set 2.2: A 123 LYS NZ :NH3+ -118:sc= 0.286 (180deg=-0.0994) USER MOD Set 3.1: A 53 TYR OH : rot 180:sc= -0.0165 USER MOD Set 3.2: A 61 HIS : no HD1:sc= -1.38 K(o=-1.4,f=-6.2!) USER MOD Set 4.1: A 44 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 45 LYS NZ :NH3+ 167:sc= 0.82 (180deg=0.705) USER MOD Set 5.1: A 27 SER OG : rot 180:sc= 0.68 USER MOD Set 5.2: A 31 LYS NZ :NH3+ 168:sc= 0.762 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.0539 K(o=-0.054,f=-2!) USER MOD Single : A 9 ASN : amide:sc=-0.00193 K(o=-0.0019,f=-1.1) USER MOD Single : A 13 THR OG1 : rot 70:sc= 1.25 USER MOD Single : A 16 SER OG : rot 79:sc= 1.2 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0218) USER MOD Single : A 33 THR OG1 : rot -68:sc= 0.158 USER MOD Single : A 34 THR OG1 : rot 94:sc= 0.571 USER MOD Single : A 35 TYR OH : rot 17:sc= 0.00365 USER MOD Single : A 39 HIS : no HD1:sc=-0.00324 X(o=-0.0032,f=-0.012) USER MOD Single : A 48 SER OG : rot 89:sc= 0.441 USER MOD Single : A 54 SER OG : rot 160:sc= 0 USER MOD Single : A 57 CYS SG : rot 153:sc= -0.0078 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -164:sc= 1.22 (180deg=1.18) USER MOD Single : A 65 SER OG : rot 60:sc= -0.511 USER MOD Single : A 71 SER OG : rot 168:sc= -0.272 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -36:sc= 0.0118 USER MOD Single : A 93 THR OG1 : rot -12:sc= 0.674 USER MOD Single : A 94 CYS SG : rot -37:sc= -0.227 USER MOD Single : A 96 HIS : no HD1:sc= -0.0912 X(o=-0.091,f=0) USER MOD Single : A 99 ASN : amide:sc=-0.00285 X(o=-0.0028,f=0) USER MOD Single : A 100 THR OG1 : rot 82:sc= 1.22 USER MOD Single : A 106 GLN : amide:sc= 0.145 K(o=0.14,f=-0.9) USER MOD Single : A 110 SER OG : rot -100:sc= 0.379 USER MOD Single : A 115 LYS NZ :NH3+ -110:sc= 0.0667 (180deg=-0.0855) USER MOD Single : A 116 SER OG : rot -58:sc= 1.27 USER MOD Single : A 117 ASN : amide:sc= 0.444 K(o=0.44,f=-4.3!) USER MOD Single : A 118 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 121 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00232) USER MOD Single : A 126 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 161 SER OG : rot 180:sc= 0 USER MOD Single : B 162 TYR OH : rot 13:sc= 0.857 USER MOD ----------------------------------------------------------------- ATOM 78 N ASP A 6 -2.205 -4.949 20.230 1.00 0.00 N ATOM 79 CA ASP A 6 -1.990 -3.565 19.836 1.00 0.00 C ATOM 80 C ASP A 6 -1.251 -3.521 18.490 1.00 0.00 C ATOM 81 O ASP A 6 -1.485 -4.369 17.629 1.00 0.00 O ATOM 82 CB ASP A 6 -1.235 -2.861 20.971 1.00 0.00 C ATOM 83 CG ASP A 6 -1.291 -1.339 20.848 1.00 0.00 C ATOM 84 OD1 ASP A 6 -2.387 -0.782 21.083 1.00 0.00 O ATOM 85 OD2 ASP A 6 -0.237 -0.748 20.520 1.00 0.00 O ATOM 0 HA ASP A 6 -2.931 -3.036 19.683 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -1.660 -3.162 21.929 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -0.194 -3.185 20.968 1.00 0.00 H new ATOM 90 N PHE A 7 -0.359 -2.542 18.296 1.00 0.00 N ATOM 91 CA PHE A 7 0.430 -2.403 17.079 1.00 0.00 C ATOM 92 C PHE A 7 1.211 -3.679 16.769 1.00 0.00 C ATOM 93 O PHE A 7 1.719 -3.847 15.663 1.00 0.00 O ATOM 94 CB PHE A 7 1.376 -1.215 17.253 1.00 0.00 C ATOM 95 CG PHE A 7 2.107 -0.788 15.999 1.00 0.00 C ATOM 96 CD1 PHE A 7 1.413 -0.608 14.793 1.00 0.00 C ATOM 97 CD2 PHE A 7 3.492 -0.564 16.044 1.00 0.00 C ATOM 98 CE1 PHE A 7 2.096 -0.199 13.640 1.00 0.00 C ATOM 99 CE2 PHE A 7 4.171 -0.150 14.888 1.00 0.00 C ATOM 100 CZ PHE A 7 3.476 0.032 13.687 1.00 0.00 C ATOM 0 H PHE A 7 -0.167 -1.820 18.990 1.00 0.00 H new ATOM 0 HA PHE A 7 -0.236 -2.229 16.234 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.804 -0.367 17.628 1.00 0.00 H new ATOM 0 HB3 PHE A 7 2.112 -1.465 18.017 1.00 0.00 H new ATOM 0 HD1 PHE A 7 0.348 -0.785 14.753 1.00 0.00 H new ATOM 0 HD2 PHE A 7 4.034 -0.710 16.967 1.00 0.00 H new ATOM 0 HE1 PHE A 7 1.557 -0.062 12.714 1.00 0.00 H new ATOM 0 HE2 PHE A 7 5.235 0.029 14.925 1.00 0.00 H new ATOM 0 HZ PHE A 7 4.003 0.350 12.799 1.00 0.00 H new ATOM 110 N GLN A 8 1.309 -4.582 17.750 1.00 0.00 N ATOM 111 CA GLN A 8 1.964 -5.866 17.587 1.00 0.00 C ATOM 112 C GLN A 8 1.367 -6.624 16.403 1.00 0.00 C ATOM 113 O GLN A 8 2.112 -7.210 15.627 1.00 0.00 O ATOM 114 CB GLN A 8 1.778 -6.658 18.882 1.00 0.00 C ATOM 115 CG GLN A 8 2.444 -8.031 18.791 1.00 0.00 C ATOM 116 CD GLN A 8 3.960 -7.908 18.715 1.00 0.00 C ATOM 117 OE1 GLN A 8 4.552 -8.043 17.648 1.00 0.00 O ATOM 118 NE2 GLN A 8 4.604 -7.650 19.851 1.00 0.00 N ATOM 0 H GLN A 8 0.930 -4.432 18.685 1.00 0.00 H new ATOM 0 HA GLN A 8 3.026 -5.724 17.384 1.00 0.00 H new ATOM 0 HB2 GLN A 8 2.202 -6.100 19.717 1.00 0.00 H new ATOM 0 HB3 GLN A 8 0.714 -6.780 19.087 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.169 -8.629 19.660 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.075 -8.558 17.911 1.00 0.00 H new ATOM 0 HE21 GLN A 8 4.082 -7.544 20.721 1.00 0.00 H new ATOM 0 HE22 GLN A 8 5.620 -7.559 19.852 1.00 0.00 H new ATOM 127 N ASN A 9 0.038 -6.620 16.253 1.00 0.00 N ATOM 128 CA ASN A 9 -0.606 -7.280 15.124 1.00 0.00 C ATOM 129 C ASN A 9 -0.051 -6.747 13.805 1.00 0.00 C ATOM 130 O ASN A 9 0.269 -7.531 12.917 1.00 0.00 O ATOM 131 CB ASN A 9 -2.126 -7.075 15.168 1.00 0.00 C ATOM 132 CG ASN A 9 -2.768 -7.729 16.386 1.00 0.00 C ATOM 133 OD1 ASN A 9 -2.106 -8.384 17.185 1.00 0.00 O ATOM 134 ND2 ASN A 9 -4.077 -7.555 16.538 1.00 0.00 N ATOM 0 H ASN A 9 -0.607 -6.167 16.900 1.00 0.00 H new ATOM 0 HA ASN A 9 -0.395 -8.347 15.193 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -2.345 -6.007 15.175 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -2.571 -7.486 14.262 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -4.558 -7.971 17.336 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -4.601 -7.005 15.857 1.00 0.00 H new ATOM 141 N PHE A 10 0.067 -5.425 13.669 1.00 0.00 N ATOM 142 CA PHE A 10 0.519 -4.830 12.421 1.00 0.00 C ATOM 143 C PHE A 10 1.972 -5.208 12.141 1.00 0.00 C ATOM 144 O PHE A 10 2.296 -5.661 11.042 1.00 0.00 O ATOM 145 CB PHE A 10 0.346 -3.312 12.497 1.00 0.00 C ATOM 146 CG PHE A 10 0.549 -2.604 11.176 1.00 0.00 C ATOM 147 CD1 PHE A 10 1.843 -2.328 10.713 1.00 0.00 C ATOM 148 CD2 PHE A 10 -0.564 -2.221 10.412 1.00 0.00 C ATOM 149 CE1 PHE A 10 2.023 -1.670 9.487 1.00 0.00 C ATOM 150 CE2 PHE A 10 -0.382 -1.565 9.188 1.00 0.00 C ATOM 151 CZ PHE A 10 0.911 -1.289 8.725 1.00 0.00 C ATOM 0 H PHE A 10 -0.144 -4.753 14.407 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.082 -5.212 11.596 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -0.654 -3.089 12.868 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.052 -2.912 13.225 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.701 -2.622 11.300 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.562 -2.432 10.768 1.00 0.00 H new ATOM 0 HE1 PHE A 10 3.020 -1.457 9.130 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.239 -1.272 8.600 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.050 -0.783 7.781 1.00 0.00 H new ATOM 161 N VAL A 11 2.851 -5.025 13.129 1.00 0.00 N ATOM 162 CA VAL A 11 4.263 -5.327 12.959 1.00 0.00 C ATOM 163 C VAL A 11 4.456 -6.818 12.708 1.00 0.00 C ATOM 164 O VAL A 11 5.066 -7.203 11.715 1.00 0.00 O ATOM 165 CB VAL A 11 5.054 -4.868 14.186 1.00 0.00 C ATOM 166 CG1 VAL A 11 6.536 -5.197 14.015 1.00 0.00 C ATOM 167 CG2 VAL A 11 4.913 -3.357 14.370 1.00 0.00 C ATOM 0 H VAL A 11 2.604 -4.669 14.052 1.00 0.00 H new ATOM 0 HA VAL A 11 4.640 -4.786 12.091 1.00 0.00 H new ATOM 0 HB VAL A 11 4.657 -5.388 15.058 1.00 0.00 H new ATOM 0 HG11 VAL A 11 7.086 -4.865 14.895 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.658 -6.273 13.895 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.922 -4.688 13.132 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.480 -3.043 15.246 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.296 -2.846 13.487 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.862 -3.104 14.508 1.00 0.00 H new ATOM 177 N ALA A 12 3.935 -7.654 13.606 1.00 0.00 N ATOM 178 CA ALA A 12 4.065 -9.096 13.514 1.00 0.00 C ATOM 179 C ALA A 12 3.495 -9.637 12.204 1.00 0.00 C ATOM 180 O ALA A 12 4.007 -10.623 11.680 1.00 0.00 O ATOM 181 CB ALA A 12 3.348 -9.727 14.706 1.00 0.00 C ATOM 0 H ALA A 12 3.408 -7.341 14.421 1.00 0.00 H new ATOM 0 HA ALA A 12 5.124 -9.354 13.530 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.437 -10.812 14.651 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.800 -9.372 15.632 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.295 -9.448 14.686 1.00 0.00 H new ATOM 187 N THR A 13 2.446 -9.011 11.663 1.00 0.00 N ATOM 188 CA THR A 13 1.905 -9.448 10.385 1.00 0.00 C ATOM 189 C THR A 13 2.839 -9.055 9.247 1.00 0.00 C ATOM 190 O THR A 13 3.052 -9.850 8.333 1.00 0.00 O ATOM 191 CB THR A 13 0.510 -8.867 10.156 1.00 0.00 C ATOM 192 OG1 THR A 13 -0.371 -9.347 11.147 1.00 0.00 O ATOM 193 CG2 THR A 13 -0.017 -9.322 8.799 1.00 0.00 C ATOM 0 H THR A 13 1.966 -8.216 12.085 1.00 0.00 H new ATOM 0 HA THR A 13 1.822 -10.535 10.406 1.00 0.00 H new ATOM 0 HB THR A 13 0.571 -7.779 10.196 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.134 -8.954 12.013 1.00 0.00 H new ATOM 0 HG21 THR A 13 -1.012 -8.907 8.637 1.00 0.00 H new ATOM 0 HG22 THR A 13 0.653 -8.974 8.013 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.070 -10.410 8.776 1.00 0.00 H new ATOM 201 N LEU A 14 3.400 -7.841 9.291 1.00 0.00 N ATOM 202 CA LEU A 14 4.315 -7.393 8.253 1.00 0.00 C ATOM 203 C LEU A 14 5.596 -8.233 8.282 1.00 0.00 C ATOM 204 O LEU A 14 6.215 -8.483 7.249 1.00 0.00 O ATOM 205 CB LEU A 14 4.615 -5.908 8.475 1.00 0.00 C ATOM 206 CG LEU A 14 5.239 -5.213 7.260 1.00 0.00 C ATOM 207 CD1 LEU A 14 4.295 -5.252 6.060 1.00 0.00 C ATOM 208 CD2 LEU A 14 5.466 -3.749 7.628 1.00 0.00 C ATOM 0 H LEU A 14 3.233 -7.160 10.032 1.00 0.00 H new ATOM 0 HA LEU A 14 3.863 -7.520 7.269 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.690 -5.396 8.739 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.289 -5.807 9.325 1.00 0.00 H new ATOM 0 HG LEU A 14 6.167 -5.721 6.997 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.763 -4.752 5.212 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.083 -6.288 5.798 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.364 -4.744 6.312 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.911 -3.226 6.781 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.513 -3.285 7.881 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.137 -3.689 8.485 1.00 0.00 H new ATOM 220 N GLU A 15 5.989 -8.671 9.484 1.00 0.00 N ATOM 221 CA GLU A 15 7.128 -9.552 9.696 1.00 0.00 C ATOM 222 C GLU A 15 6.820 -10.932 9.128 1.00 0.00 C ATOM 223 O GLU A 15 7.663 -11.543 8.472 1.00 0.00 O ATOM 224 CB GLU A 15 7.390 -9.667 11.197 1.00 0.00 C ATOM 225 CG GLU A 15 7.858 -8.342 11.798 1.00 0.00 C ATOM 226 CD GLU A 15 9.380 -8.218 11.743 1.00 0.00 C ATOM 227 OE1 GLU A 15 9.892 -7.840 10.668 1.00 0.00 O ATOM 228 OE2 GLU A 15 10.025 -8.502 12.779 1.00 0.00 O ATOM 0 H GLU A 15 5.511 -8.415 10.348 1.00 0.00 H new ATOM 0 HA GLU A 15 8.007 -9.146 9.195 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.480 -9.992 11.700 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.144 -10.433 11.376 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.403 -7.513 11.256 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.522 -8.270 12.832 1.00 0.00 H new ATOM 235 N SER A 16 5.606 -11.425 9.381 1.00 0.00 N ATOM 236 CA SER A 16 5.152 -12.687 8.810 1.00 0.00 C ATOM 237 C SER A 16 5.065 -12.565 7.293 1.00 0.00 C ATOM 238 O SER A 16 5.182 -13.561 6.586 1.00 0.00 O ATOM 239 CB SER A 16 3.787 -13.061 9.388 1.00 0.00 C ATOM 240 OG SER A 16 3.883 -13.231 10.785 1.00 0.00 O ATOM 0 H SER A 16 4.920 -10.965 9.980 1.00 0.00 H new ATOM 0 HA SER A 16 5.866 -13.471 9.062 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.060 -12.282 9.158 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.427 -13.980 8.926 1.00 0.00 H new ATOM 0 HG SER A 16 3.888 -12.354 11.222 1.00 0.00 H new ATOM 246 N PHE A 17 4.860 -11.344 6.789 1.00 0.00 N ATOM 247 CA PHE A 17 4.853 -11.088 5.358 1.00 0.00 C ATOM 248 C PHE A 17 6.273 -11.190 4.804 1.00 0.00 C ATOM 249 O PHE A 17 6.477 -11.737 3.721 1.00 0.00 O ATOM 250 CB PHE A 17 4.260 -9.703 5.100 1.00 0.00 C ATOM 251 CG PHE A 17 3.320 -9.632 3.917 1.00 0.00 C ATOM 252 CD1 PHE A 17 3.606 -10.314 2.724 1.00 0.00 C ATOM 253 CD2 PHE A 17 2.147 -8.872 4.022 1.00 0.00 C ATOM 254 CE1 PHE A 17 2.716 -10.247 1.644 1.00 0.00 C ATOM 255 CE2 PHE A 17 1.257 -8.806 2.942 1.00 0.00 C ATOM 256 CZ PHE A 17 1.538 -9.496 1.755 1.00 0.00 C ATOM 0 H PHE A 17 4.696 -10.516 7.362 1.00 0.00 H new ATOM 0 HA PHE A 17 4.240 -11.832 4.850 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.725 -9.379 5.993 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.075 -8.997 4.943 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.514 -10.892 2.638 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.929 -8.338 4.935 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.937 -10.773 0.727 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.352 -8.222 3.024 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.847 -9.449 0.926 1.00 0.00 H new ATOM 266 N LYS A 18 7.257 -10.667 5.546 1.00 0.00 N ATOM 267 CA LYS A 18 8.657 -10.777 5.162 1.00 0.00 C ATOM 268 C LYS A 18 9.097 -12.241 5.186 1.00 0.00 C ATOM 269 O LYS A 18 9.941 -12.645 4.390 1.00 0.00 O ATOM 270 CB LYS A 18 9.503 -9.932 6.120 1.00 0.00 C ATOM 271 CG LYS A 18 10.957 -9.879 5.655 1.00 0.00 C ATOM 272 CD LYS A 18 11.769 -8.985 6.591 1.00 0.00 C ATOM 273 CE LYS A 18 13.218 -8.933 6.113 1.00 0.00 C ATOM 274 NZ LYS A 18 14.040 -8.093 7.003 1.00 0.00 N ATOM 0 H LYS A 18 7.101 -10.162 6.419 1.00 0.00 H new ATOM 0 HA LYS A 18 8.794 -10.406 4.146 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.097 -8.922 6.176 1.00 0.00 H new ATOM 0 HB3 LYS A 18 9.453 -10.352 7.124 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.380 -10.883 5.639 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.008 -9.496 4.636 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.345 -7.981 6.611 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.724 -9.371 7.610 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.629 -9.942 6.078 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.255 -8.538 5.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.020 -8.075 6.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.659 -7.125 7.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.021 -8.486 7.966 1.00 0.00 H new ATOM 359 N ILE A 24 1.176 -13.562 -1.995 1.00 0.00 N ATOM 360 CA ILE A 24 0.801 -12.284 -1.404 1.00 0.00 C ATOM 361 C ILE A 24 -0.537 -12.469 -0.690 1.00 0.00 C ATOM 362 O ILE A 24 -1.518 -11.795 -0.998 1.00 0.00 O ATOM 363 CB ILE A 24 0.759 -11.185 -2.479 1.00 0.00 C ATOM 364 CG1 ILE A 24 1.977 -11.219 -3.413 1.00 0.00 C ATOM 365 CG2 ILE A 24 0.679 -9.808 -1.811 1.00 0.00 C ATOM 366 CD1 ILE A 24 3.310 -11.029 -2.683 1.00 0.00 C ATOM 0 HA ILE A 24 1.541 -11.959 -0.673 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.127 -11.371 -3.086 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.994 -12.172 -3.942 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.870 -10.439 -4.166 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.650 -9.033 -2.577 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.223 -9.751 -1.202 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.554 -9.659 -1.178 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.127 -11.064 -3.403 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.313 -10.064 -2.177 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.439 -11.824 -1.949 1.00 0.00 H new ATOM 378 N SER A 25 -0.572 -13.398 0.272 1.00 0.00 N ATOM 379 CA SER A 25 -1.796 -13.770 0.971 1.00 0.00 C ATOM 380 C SER A 25 -2.534 -12.548 1.500 1.00 0.00 C ATOM 381 O SER A 25 -1.959 -11.706 2.187 1.00 0.00 O ATOM 382 CB SER A 25 -1.480 -14.719 2.126 1.00 0.00 C ATOM 383 OG SER A 25 -0.973 -15.944 1.635 1.00 0.00 O ATOM 0 H SER A 25 0.252 -13.911 0.585 1.00 0.00 H new ATOM 0 HA SER A 25 -2.443 -14.273 0.252 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.752 -14.259 2.794 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.381 -14.900 2.713 1.00 0.00 H new ATOM 0 HG SER A 25 -0.774 -16.540 2.387 1.00 0.00 H new ATOM 389 N GLY A 26 -3.828 -12.456 1.170 1.00 0.00 N ATOM 390 CA GLY A 26 -4.660 -11.337 1.564 1.00 0.00 C ATOM 391 C GLY A 26 -4.860 -11.260 3.075 1.00 0.00 C ATOM 392 O GLY A 26 -5.208 -10.199 3.576 1.00 0.00 O ATOM 0 H GLY A 26 -4.319 -13.162 0.621 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.206 -10.410 1.213 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -5.631 -11.421 1.076 1.00 0.00 H new ATOM 396 N SER A 27 -4.648 -12.356 3.809 1.00 0.00 N ATOM 397 CA SER A 27 -4.853 -12.343 5.251 1.00 0.00 C ATOM 398 C SER A 27 -3.837 -11.422 5.915 1.00 0.00 C ATOM 399 O SER A 27 -4.162 -10.731 6.880 1.00 0.00 O ATOM 400 CB SER A 27 -4.755 -13.769 5.799 1.00 0.00 C ATOM 401 OG SER A 27 -4.877 -13.766 7.206 1.00 0.00 O ATOM 0 H SER A 27 -4.338 -13.251 3.430 1.00 0.00 H new ATOM 0 HA SER A 27 -5.848 -11.959 5.475 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.538 -14.388 5.361 1.00 0.00 H new ATOM 0 HB3 SER A 27 -3.801 -14.211 5.511 1.00 0.00 H new ATOM 0 HG SER A 27 -4.814 -14.685 7.542 1.00 0.00 H new ATOM 407 N ARG A 28 -2.602 -11.405 5.403 1.00 0.00 N ATOM 408 CA ARG A 28 -1.579 -10.510 5.919 1.00 0.00 C ATOM 409 C ARG A 28 -2.046 -9.072 5.703 1.00 0.00 C ATOM 410 O ARG A 28 -2.013 -8.245 6.614 1.00 0.00 O ATOM 411 CB ARG A 28 -0.252 -10.734 5.193 1.00 0.00 C ATOM 412 CG ARG A 28 0.219 -12.191 5.109 1.00 0.00 C ATOM 413 CD ARG A 28 0.462 -12.844 6.472 1.00 0.00 C ATOM 414 NE ARG A 28 -0.708 -13.606 6.938 1.00 0.00 N ATOM 415 CZ ARG A 28 -1.092 -14.778 6.416 1.00 0.00 C ATOM 416 NH1 ARG A 28 -0.449 -15.314 5.380 1.00 0.00 N ATOM 417 NH2 ARG A 28 -2.131 -15.425 6.934 1.00 0.00 N ATOM 0 H ARG A 28 -2.294 -12.001 4.635 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.424 -10.706 6.980 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.341 -10.341 4.180 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.519 -10.150 5.695 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -0.526 -12.773 4.566 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.140 -12.232 4.528 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.324 -13.508 6.407 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.707 -12.074 7.204 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.259 -13.218 7.704 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.351 -14.831 4.971 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.756 -16.208 4.996 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.634 -15.029 7.728 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.425 -16.318 6.538 1.00 0.00 H new ATOM 431 N ILE A 29 -2.485 -8.786 4.474 1.00 0.00 N ATOM 432 CA ILE A 29 -2.949 -7.460 4.097 1.00 0.00 C ATOM 433 C ILE A 29 -4.158 -7.074 4.942 1.00 0.00 C ATOM 434 O ILE A 29 -4.285 -5.921 5.341 1.00 0.00 O ATOM 435 CB ILE A 29 -3.288 -7.441 2.599 1.00 0.00 C ATOM 436 CG1 ILE A 29 -2.067 -7.870 1.780 1.00 0.00 C ATOM 437 CG2 ILE A 29 -3.738 -6.036 2.193 1.00 0.00 C ATOM 438 CD1 ILE A 29 -2.366 -7.950 0.282 1.00 0.00 C ATOM 0 H ILE A 29 -2.526 -9.470 3.718 1.00 0.00 H new ATOM 0 HA ILE A 29 -2.162 -6.728 4.280 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.099 -8.142 2.403 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.254 -7.163 1.948 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.721 -8.842 2.131 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.978 -6.024 1.130 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -4.621 -5.756 2.768 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.936 -5.325 2.392 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.467 -8.258 -0.252 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.159 -8.677 0.108 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.685 -6.972 -0.078 1.00 0.00 H new ATOM 450 N LYS A 30 -5.045 -8.036 5.219 1.00 0.00 N ATOM 451 CA LYS A 30 -6.242 -7.800 6.008 1.00 0.00 C ATOM 452 C LYS A 30 -5.893 -7.441 7.452 1.00 0.00 C ATOM 453 O LYS A 30 -6.549 -6.578 8.024 1.00 0.00 O ATOM 454 CB LYS A 30 -7.161 -9.023 5.929 1.00 0.00 C ATOM 455 CG LYS A 30 -7.928 -9.023 4.606 1.00 0.00 C ATOM 456 CD LYS A 30 -9.040 -7.968 4.627 1.00 0.00 C ATOM 457 CE LYS A 30 -9.634 -7.785 3.233 1.00 0.00 C ATOM 458 NZ LYS A 30 -10.290 -9.013 2.742 1.00 0.00 N ATOM 0 H LYS A 30 -4.946 -8.999 4.898 1.00 0.00 H new ATOM 0 HA LYS A 30 -6.775 -6.944 5.595 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.572 -9.936 6.016 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.862 -9.015 6.764 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.243 -8.821 3.782 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.358 -10.009 4.429 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.822 -8.270 5.324 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.642 -7.019 4.986 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.358 -6.971 3.252 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.846 -7.494 2.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.766 -8.815 1.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -9.576 -9.756 2.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.991 -9.335 3.440 1.00 0.00 H new ATOM 472 N LYS A 31 -4.881 -8.073 8.057 1.00 0.00 N ATOM 473 CA LYS A 31 -4.456 -7.689 9.402 1.00 0.00 C ATOM 474 C LYS A 31 -3.858 -6.285 9.386 1.00 0.00 C ATOM 475 O LYS A 31 -4.124 -5.494 10.288 1.00 0.00 O ATOM 476 CB LYS A 31 -3.442 -8.697 9.947 1.00 0.00 C ATOM 477 CG LYS A 31 -3.999 -9.430 11.174 1.00 0.00 C ATOM 478 CD LYS A 31 -5.209 -10.307 10.832 1.00 0.00 C ATOM 479 CE LYS A 31 -4.807 -11.422 9.867 1.00 0.00 C ATOM 480 NZ LYS A 31 -5.974 -12.227 9.460 1.00 0.00 N ATOM 0 H LYS A 31 -4.351 -8.840 7.643 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.327 -7.687 10.057 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.190 -9.420 9.171 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.520 -8.182 10.215 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.216 -10.050 11.610 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.285 -8.700 11.931 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.622 -10.739 11.744 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.993 -9.696 10.385 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.336 -10.989 8.985 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.066 -12.066 10.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.712 -12.838 8.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.285 -12.817 10.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.749 -11.595 9.174 1.00 0.00 H new ATOM 494 N LEU A 32 -3.055 -5.976 8.363 1.00 0.00 N ATOM 495 CA LEU A 32 -2.443 -4.662 8.241 1.00 0.00 C ATOM 496 C LEU A 32 -3.508 -3.570 8.103 1.00 0.00 C ATOM 497 O LEU A 32 -3.537 -2.643 8.915 1.00 0.00 O ATOM 498 CB LEU A 32 -1.463 -4.663 7.063 1.00 0.00 C ATOM 499 CG LEU A 32 -0.248 -5.570 7.308 1.00 0.00 C ATOM 500 CD1 LEU A 32 0.583 -5.648 6.035 1.00 0.00 C ATOM 501 CD2 LEU A 32 0.632 -5.021 8.426 1.00 0.00 C ATOM 0 H LEU A 32 -2.818 -6.622 7.611 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.884 -4.438 9.150 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.982 -4.992 6.163 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.121 -3.645 6.879 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.612 -6.556 7.596 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.447 -6.291 6.203 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.024 -6.060 5.229 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.922 -4.649 5.760 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.484 -5.684 8.577 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.989 -4.028 8.154 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.053 -4.959 9.347 1.00 0.00 H new ATOM 513 N THR A 33 -4.381 -3.661 7.092 1.00 0.00 N ATOM 514 CA THR A 33 -5.453 -2.691 6.915 1.00 0.00 C ATOM 515 C THR A 33 -6.338 -2.599 8.149 1.00 0.00 C ATOM 516 O THR A 33 -6.709 -1.500 8.554 1.00 0.00 O ATOM 517 CB THR A 33 -6.317 -3.085 5.723 1.00 0.00 C ATOM 518 OG1 THR A 33 -6.841 -4.383 5.889 1.00 0.00 O ATOM 519 CG2 THR A 33 -5.498 -3.055 4.440 1.00 0.00 C ATOM 0 H THR A 33 -4.361 -4.399 6.388 1.00 0.00 H new ATOM 0 HA THR A 33 -4.989 -1.719 6.746 1.00 0.00 H new ATOM 0 HB THR A 33 -7.135 -2.368 5.659 1.00 0.00 H new ATOM 0 HG1 THR A 33 -6.114 -5.038 5.838 1.00 0.00 H new ATOM 0 HG21 THR A 33 -6.130 -3.339 3.598 1.00 0.00 H new ATOM 0 HG22 THR A 33 -5.110 -2.049 4.279 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.667 -3.756 4.522 1.00 0.00 H new ATOM 527 N THR A 34 -6.678 -3.739 8.750 1.00 0.00 N ATOM 528 CA THR A 34 -7.512 -3.771 9.937 1.00 0.00 C ATOM 529 C THR A 34 -6.917 -2.907 11.042 1.00 0.00 C ATOM 530 O THR A 34 -7.596 -2.008 11.532 1.00 0.00 O ATOM 531 CB THR A 34 -7.697 -5.223 10.386 1.00 0.00 C ATOM 532 OG1 THR A 34 -8.721 -5.821 9.623 1.00 0.00 O ATOM 533 CG2 THR A 34 -8.084 -5.323 11.856 1.00 0.00 C ATOM 0 H THR A 34 -6.381 -4.659 8.425 1.00 0.00 H new ATOM 0 HA THR A 34 -8.492 -3.354 9.704 1.00 0.00 H new ATOM 0 HB THR A 34 -6.744 -5.732 10.241 1.00 0.00 H new ATOM 0 HG1 THR A 34 -8.328 -6.279 8.851 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.205 -6.371 12.130 1.00 0.00 H new ATOM 0 HG22 THR A 34 -7.302 -4.875 12.469 1.00 0.00 H new ATOM 0 HG23 THR A 34 -9.023 -4.794 12.022 1.00 0.00 H new ATOM 541 N TYR A 35 -5.666 -3.154 11.451 1.00 0.00 N ATOM 542 CA TYR A 35 -5.141 -2.397 12.577 1.00 0.00 C ATOM 543 C TYR A 35 -4.914 -0.929 12.218 1.00 0.00 C ATOM 544 O TYR A 35 -5.067 -0.059 13.075 1.00 0.00 O ATOM 545 CB TYR A 35 -3.871 -3.033 13.141 1.00 0.00 C ATOM 546 CG TYR A 35 -3.510 -2.381 14.455 1.00 0.00 C ATOM 547 CD1 TYR A 35 -4.177 -2.769 15.626 1.00 0.00 C ATOM 548 CD2 TYR A 35 -2.526 -1.383 14.502 1.00 0.00 C ATOM 549 CE1 TYR A 35 -3.892 -2.134 16.842 1.00 0.00 C ATOM 550 CE2 TYR A 35 -2.238 -0.745 15.715 1.00 0.00 C ATOM 551 CZ TYR A 35 -2.931 -1.106 16.889 1.00 0.00 C ATOM 552 OH TYR A 35 -2.666 -0.455 18.056 1.00 0.00 O ATOM 0 H TYR A 35 -5.031 -3.838 11.039 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.898 -2.427 13.360 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.023 -4.103 13.285 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.051 -2.920 12.432 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.912 -3.559 15.590 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.992 -1.107 13.605 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -4.409 -2.433 17.742 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.483 0.026 15.751 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.011 -0.979 18.809 1.00 0.00 H new ATOM 562 N ALA A 36 -4.553 -0.638 10.965 1.00 0.00 N ATOM 563 CA ALA A 36 -4.440 0.742 10.519 1.00 0.00 C ATOM 564 C ALA A 36 -5.781 1.452 10.682 1.00 0.00 C ATOM 565 O ALA A 36 -5.876 2.460 11.381 1.00 0.00 O ATOM 566 CB ALA A 36 -3.976 0.751 9.060 1.00 0.00 C ATOM 0 H ALA A 36 -4.337 -1.335 10.253 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.708 1.277 11.124 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.887 1.780 8.713 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.007 0.257 8.983 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.703 0.222 8.444 1.00 0.00 H new ATOM 572 N LEU A 37 -6.818 0.919 10.032 1.00 0.00 N ATOM 573 CA LEU A 37 -8.141 1.526 9.985 1.00 0.00 C ATOM 574 C LEU A 37 -8.877 1.443 11.325 1.00 0.00 C ATOM 575 O LEU A 37 -9.861 2.152 11.520 1.00 0.00 O ATOM 576 CB LEU A 37 -8.941 0.832 8.877 1.00 0.00 C ATOM 577 CG LEU A 37 -8.246 0.963 7.515 1.00 0.00 C ATOM 578 CD1 LEU A 37 -8.906 0.029 6.504 1.00 0.00 C ATOM 579 CD2 LEU A 37 -8.315 2.395 6.989 1.00 0.00 C ATOM 0 H LEU A 37 -6.757 0.041 9.517 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.033 2.590 9.772 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.066 -0.223 9.123 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.939 1.267 8.821 1.00 0.00 H new ATOM 0 HG LEU A 37 -7.199 0.692 7.649 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.408 0.127 5.539 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -8.824 -1.001 6.852 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.958 0.293 6.398 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.813 2.452 6.023 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.358 2.691 6.874 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.823 3.066 7.694 1.00 0.00 H new ATOM 591 N ASP A 38 -8.419 0.589 12.246 1.00 0.00 N ATOM 592 CA ASP A 38 -9.057 0.425 13.548 1.00 0.00 C ATOM 593 C ASP A 38 -9.071 1.706 14.387 1.00 0.00 C ATOM 594 O ASP A 38 -9.976 1.868 15.206 1.00 0.00 O ATOM 595 CB ASP A 38 -8.347 -0.693 14.320 1.00 0.00 C ATOM 596 CG ASP A 38 -9.016 -0.949 15.671 1.00 0.00 C ATOM 597 OD1 ASP A 38 -10.142 -1.497 15.657 1.00 0.00 O ATOM 598 OD2 ASP A 38 -8.402 -0.599 16.705 1.00 0.00 O ATOM 0 H ASP A 38 -7.600 -0.003 12.107 1.00 0.00 H new ATOM 0 HA ASP A 38 -10.100 0.168 13.362 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -8.356 -1.608 13.728 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -7.302 -0.424 14.475 1.00 0.00 H new ATOM 603 N HIS A 39 -8.101 2.613 14.213 1.00 0.00 N ATOM 604 CA HIS A 39 -8.052 3.798 15.068 1.00 0.00 C ATOM 605 C HIS A 39 -7.433 5.027 14.404 1.00 0.00 C ATOM 606 O HIS A 39 -7.732 6.146 14.819 1.00 0.00 O ATOM 607 CB HIS A 39 -7.274 3.437 16.340 1.00 0.00 C ATOM 608 CG HIS A 39 -7.326 4.504 17.400 1.00 0.00 C ATOM 609 ND1 HIS A 39 -8.468 5.212 17.783 1.00 0.00 N ATOM 610 CD2 HIS A 39 -6.261 4.932 18.139 1.00 0.00 C ATOM 611 CE1 HIS A 39 -8.059 6.053 18.749 1.00 0.00 C ATOM 612 NE2 HIS A 39 -6.741 5.908 18.980 1.00 0.00 N ATOM 0 H HIS A 39 -7.363 2.551 13.511 1.00 0.00 H new ATOM 0 HA HIS A 39 -9.081 4.081 15.291 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.674 2.509 16.750 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -6.233 3.247 16.078 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -5.244 4.575 18.076 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -8.700 6.750 19.269 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -6.193 6.432 19.662 1.00 0.00 H new ATOM 620 N ILE A 40 -6.582 4.840 13.392 1.00 0.00 N ATOM 621 CA ILE A 40 -5.912 5.931 12.696 1.00 0.00 C ATOM 622 C ILE A 40 -5.317 6.943 13.679 1.00 0.00 C ATOM 623 O ILE A 40 -5.835 8.041 13.866 1.00 0.00 O ATOM 624 CB ILE A 40 -6.857 6.563 11.665 1.00 0.00 C ATOM 625 CG1 ILE A 40 -7.375 5.510 10.681 1.00 0.00 C ATOM 626 CG2 ILE A 40 -6.135 7.668 10.887 1.00 0.00 C ATOM 627 CD1 ILE A 40 -6.277 4.963 9.771 1.00 0.00 C ATOM 0 H ILE A 40 -6.339 3.917 13.033 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.063 5.530 12.142 1.00 0.00 H new ATOM 0 HB ILE A 40 -7.702 6.990 12.205 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.823 4.687 11.238 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -8.164 5.947 10.069 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -6.818 8.107 10.160 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.798 8.439 11.579 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.275 7.245 10.368 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.701 4.221 9.095 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.846 5.779 9.190 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -5.499 4.499 10.378 1.00 0.00 H new ATOM 639 N ASP A 41 -4.207 6.555 14.312 1.00 0.00 N ATOM 640 CA ASP A 41 -3.503 7.372 15.296 1.00 0.00 C ATOM 641 C ASP A 41 -1.998 7.089 15.229 1.00 0.00 C ATOM 642 O ASP A 41 -1.258 7.342 16.176 1.00 0.00 O ATOM 643 CB ASP A 41 -4.072 7.065 16.683 1.00 0.00 C ATOM 644 CG ASP A 41 -3.539 8.013 17.756 1.00 0.00 C ATOM 645 OD1 ASP A 41 -3.555 9.238 17.509 1.00 0.00 O ATOM 646 OD2 ASP A 41 -3.118 7.499 18.817 1.00 0.00 O ATOM 0 H ASP A 41 -3.767 5.649 14.150 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.646 8.432 15.084 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -5.159 7.134 16.650 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.825 6.039 16.954 1.00 0.00 H new ATOM 651 N ILE A 42 -1.551 6.554 14.089 1.00 0.00 N ATOM 652 CA ILE A 42 -0.195 6.054 13.891 1.00 0.00 C ATOM 653 C ILE A 42 0.215 6.265 12.435 1.00 0.00 C ATOM 654 O ILE A 42 0.888 5.432 11.833 1.00 0.00 O ATOM 655 CB ILE A 42 -0.086 4.576 14.315 1.00 0.00 C ATOM 656 CG1 ILE A 42 -1.425 3.844 14.175 1.00 0.00 C ATOM 657 CG2 ILE A 42 0.448 4.478 15.746 1.00 0.00 C ATOM 658 CD1 ILE A 42 -1.234 2.346 14.396 1.00 0.00 C ATOM 0 H ILE A 42 -2.139 6.456 13.261 1.00 0.00 H new ATOM 0 HA ILE A 42 0.494 6.612 14.525 1.00 0.00 H new ATOM 0 HB ILE A 42 0.617 4.083 13.644 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.140 4.237 14.898 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.843 4.022 13.184 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.521 3.430 16.036 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.434 4.939 15.799 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.231 4.995 16.424 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.193 1.838 14.294 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -0.536 1.955 13.656 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.837 2.174 15.396 1.00 0.00 H new ATOM 670 N GLU A 43 -0.198 7.393 11.859 1.00 0.00 N ATOM 671 CA GLU A 43 0.011 7.691 10.453 1.00 0.00 C ATOM 672 C GLU A 43 1.468 7.566 10.011 1.00 0.00 C ATOM 673 O GLU A 43 1.758 6.844 9.057 1.00 0.00 O ATOM 674 CB GLU A 43 -0.550 9.088 10.149 1.00 0.00 C ATOM 675 CG GLU A 43 0.145 10.247 10.877 1.00 0.00 C ATOM 676 CD GLU A 43 0.081 10.115 12.399 1.00 0.00 C ATOM 677 OE1 GLU A 43 -1.001 10.408 12.951 1.00 0.00 O ATOM 678 OE2 GLU A 43 1.110 9.724 12.995 1.00 0.00 O ATOM 0 H GLU A 43 -0.691 8.129 12.364 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.525 6.940 9.873 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.483 9.263 9.075 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.609 9.101 10.408 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.188 10.293 10.565 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.319 11.187 10.579 1.00 0.00 H new ATOM 685 N SER A 44 2.393 8.253 10.684 1.00 0.00 N ATOM 686 CA SER A 44 3.781 8.298 10.248 1.00 0.00 C ATOM 687 C SER A 44 4.523 7.003 10.547 1.00 0.00 C ATOM 688 O SER A 44 5.461 6.655 9.837 1.00 0.00 O ATOM 689 CB SER A 44 4.477 9.490 10.905 1.00 0.00 C ATOM 690 OG SER A 44 4.441 9.355 12.314 1.00 0.00 O ATOM 0 H SER A 44 2.201 8.785 11.533 1.00 0.00 H new ATOM 0 HA SER A 44 3.794 8.417 9.165 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.510 9.552 10.564 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.987 10.417 10.608 1.00 0.00 H new ATOM 0 HG SER A 44 4.890 10.121 12.728 1.00 0.00 H new ATOM 696 N LYS A 45 4.110 6.285 11.591 1.00 0.00 N ATOM 697 CA LYS A 45 4.752 5.042 11.980 1.00 0.00 C ATOM 698 C LYS A 45 4.271 3.910 11.078 1.00 0.00 C ATOM 699 O LYS A 45 5.089 3.122 10.607 1.00 0.00 O ATOM 700 CB LYS A 45 4.576 4.770 13.484 1.00 0.00 C ATOM 701 CG LYS A 45 3.318 5.328 14.140 1.00 0.00 C ATOM 702 CD LYS A 45 3.235 6.860 14.148 1.00 0.00 C ATOM 703 CE LYS A 45 2.716 7.389 15.478 1.00 0.00 C ATOM 704 NZ LYS A 45 2.521 8.852 15.416 1.00 0.00 N ATOM 0 H LYS A 45 3.325 6.552 12.185 1.00 0.00 H new ATOM 0 HA LYS A 45 5.829 5.120 11.834 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.590 3.691 13.638 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.441 5.178 14.007 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.445 4.932 13.621 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.268 4.968 15.168 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.222 7.279 13.950 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.580 7.193 13.343 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.773 6.901 15.726 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.421 7.144 16.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.967 9.164 16.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.447 9.326 15.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.011 9.098 14.543 1.00 0.00 H new ATOM 718 N ILE A 46 2.958 3.822 10.831 1.00 0.00 N ATOM 719 CA ILE A 46 2.426 2.878 9.858 1.00 0.00 C ATOM 720 C ILE A 46 3.083 3.105 8.499 1.00 0.00 C ATOM 721 O ILE A 46 3.593 2.163 7.893 1.00 0.00 O ATOM 722 CB ILE A 46 0.900 3.042 9.754 1.00 0.00 C ATOM 723 CG1 ILE A 46 0.249 2.375 10.969 1.00 0.00 C ATOM 724 CG2 ILE A 46 0.345 2.420 8.469 1.00 0.00 C ATOM 725 CD1 ILE A 46 -1.273 2.518 10.945 1.00 0.00 C ATOM 0 H ILE A 46 2.252 4.394 11.293 1.00 0.00 H new ATOM 0 HA ILE A 46 2.647 1.862 10.184 1.00 0.00 H new ATOM 0 HB ILE A 46 0.670 4.107 9.729 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.515 1.318 10.990 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.642 2.821 11.883 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.736 2.558 8.435 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.800 2.904 7.605 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.575 1.355 8.451 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.698 2.032 11.823 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.539 3.575 10.951 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.668 2.049 10.044 1.00 0.00 H new ATOM 737 N ILE A 47 3.078 4.350 8.012 1.00 0.00 N ATOM 738 CA ILE A 47 3.609 4.646 6.691 1.00 0.00 C ATOM 739 C ILE A 47 5.113 4.418 6.613 1.00 0.00 C ATOM 740 O ILE A 47 5.565 3.730 5.701 1.00 0.00 O ATOM 741 CB ILE A 47 3.210 6.066 6.271 1.00 0.00 C ATOM 742 CG1 ILE A 47 1.715 6.143 5.958 1.00 0.00 C ATOM 743 CG2 ILE A 47 3.994 6.498 5.030 1.00 0.00 C ATOM 744 CD1 ILE A 47 1.218 5.046 5.018 1.00 0.00 C ATOM 0 H ILE A 47 2.713 5.160 8.514 1.00 0.00 H new ATOM 0 HA ILE A 47 3.168 3.948 5.980 1.00 0.00 H new ATOM 0 HB ILE A 47 3.440 6.731 7.103 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.156 6.087 6.892 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.497 7.114 5.513 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.698 7.508 4.746 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.061 6.481 5.250 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.782 5.813 4.209 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.149 5.171 4.846 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.748 5.113 4.068 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.402 4.070 5.468 1.00 0.00 H new ATOM 756 N SER A 48 5.902 4.969 7.533 1.00 0.00 N ATOM 757 CA SER A 48 7.338 4.736 7.486 1.00 0.00 C ATOM 758 C SER A 48 7.641 3.242 7.555 1.00 0.00 C ATOM 759 O SER A 48 8.609 2.789 6.944 1.00 0.00 O ATOM 760 CB SER A 48 8.042 5.478 8.621 1.00 0.00 C ATOM 761 OG SER A 48 7.951 6.870 8.402 1.00 0.00 O ATOM 0 H SER A 48 5.581 5.563 8.298 1.00 0.00 H new ATOM 0 HA SER A 48 7.716 5.121 6.539 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.586 5.219 9.577 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.088 5.175 8.674 1.00 0.00 H new ATOM 0 HG SER A 48 7.129 7.213 8.812 1.00 0.00 H new ATOM 767 N LEU A 49 6.830 2.467 8.285 1.00 0.00 N ATOM 768 CA LEU A 49 7.060 1.039 8.406 1.00 0.00 C ATOM 769 C LEU A 49 6.782 0.285 7.101 1.00 0.00 C ATOM 770 O LEU A 49 7.572 -0.582 6.736 1.00 0.00 O ATOM 771 CB LEU A 49 6.226 0.497 9.568 1.00 0.00 C ATOM 772 CG LEU A 49 6.430 -1.004 9.775 1.00 0.00 C ATOM 773 CD1 LEU A 49 7.895 -1.340 10.051 1.00 0.00 C ATOM 774 CD2 LEU A 49 5.600 -1.461 10.971 1.00 0.00 C ATOM 0 H LEU A 49 6.016 2.810 8.795 1.00 0.00 H new ATOM 0 HA LEU A 49 8.117 0.875 8.615 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.492 1.027 10.482 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.171 0.696 9.380 1.00 0.00 H new ATOM 0 HG LEU A 49 6.120 -1.513 8.862 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.001 -2.416 10.193 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.506 -1.023 9.206 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.224 -0.821 10.951 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.741 -2.531 11.124 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.919 -0.922 11.863 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.546 -1.257 10.782 1.00 0.00 H new ATOM 786 N ILE A 50 5.691 0.585 6.383 1.00 0.00 N ATOM 787 CA ILE A 50 5.416 -0.133 5.136 1.00 0.00 C ATOM 788 C ILE A 50 6.360 0.295 4.010 1.00 0.00 C ATOM 789 O ILE A 50 6.755 -0.523 3.177 1.00 0.00 O ATOM 790 CB ILE A 50 3.950 0.011 4.712 1.00 0.00 C ATOM 791 CG1 ILE A 50 3.594 1.470 4.405 1.00 0.00 C ATOM 792 CG2 ILE A 50 3.043 -0.573 5.796 1.00 0.00 C ATOM 793 CD1 ILE A 50 2.153 1.617 3.917 1.00 0.00 C ATOM 0 H ILE A 50 5.005 1.297 6.635 1.00 0.00 H new ATOM 0 HA ILE A 50 5.602 -1.189 5.333 1.00 0.00 H new ATOM 0 HB ILE A 50 3.796 -0.548 3.789 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.737 2.074 5.301 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.275 1.858 3.647 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.001 -0.470 5.493 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.277 -1.628 5.937 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.203 -0.038 6.732 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.944 2.667 3.711 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.016 1.035 3.006 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.470 1.255 4.685 1.00 0.00 H new ATOM 805 N ILE A 51 6.730 1.579 3.973 1.00 0.00 N ATOM 806 CA ILE A 51 7.656 2.067 2.965 1.00 0.00 C ATOM 807 C ILE A 51 8.999 1.388 3.167 1.00 0.00 C ATOM 808 O ILE A 51 9.566 0.815 2.238 1.00 0.00 O ATOM 809 CB ILE A 51 7.815 3.579 3.095 1.00 0.00 C ATOM 810 CG1 ILE A 51 6.498 4.279 2.755 1.00 0.00 C ATOM 811 CG2 ILE A 51 8.933 4.071 2.167 1.00 0.00 C ATOM 812 CD1 ILE A 51 6.582 5.752 3.144 1.00 0.00 C ATOM 0 H ILE A 51 6.401 2.289 4.627 1.00 0.00 H new ATOM 0 HA ILE A 51 7.273 1.840 1.970 1.00 0.00 H new ATOM 0 HB ILE A 51 8.082 3.819 4.124 1.00 0.00 H new ATOM 0 HG12 ILE A 51 6.290 4.186 1.689 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.674 3.800 3.283 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.039 5.151 2.266 1.00 0.00 H new ATOM 0 HG22 ILE A 51 9.871 3.587 2.439 1.00 0.00 H new ATOM 0 HG23 ILE A 51 8.684 3.824 1.135 1.00 0.00 H new ATOM 0 HD11 ILE A 51 5.642 6.247 2.900 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.769 5.835 4.215 1.00 0.00 H new ATOM 0 HD13 ILE A 51 7.395 6.227 2.596 1.00 0.00 H new ATOM 824 N ASP A 52 9.510 1.456 4.398 1.00 0.00 N ATOM 825 CA ASP A 52 10.769 0.819 4.742 1.00 0.00 C ATOM 826 C ASP A 52 10.689 -0.698 4.569 1.00 0.00 C ATOM 827 O ASP A 52 11.694 -1.337 4.259 1.00 0.00 O ATOM 828 CB ASP A 52 11.109 1.174 6.182 1.00 0.00 C ATOM 829 CG ASP A 52 12.502 0.689 6.574 1.00 0.00 C ATOM 830 OD1 ASP A 52 13.476 1.193 5.971 1.00 0.00 O ATOM 831 OD2 ASP A 52 12.578 -0.178 7.472 1.00 0.00 O ATOM 0 H ASP A 52 9.064 1.949 5.171 1.00 0.00 H new ATOM 0 HA ASP A 52 11.550 1.179 4.072 1.00 0.00 H new ATOM 0 HB2 ASP A 52 11.051 2.255 6.313 1.00 0.00 H new ATOM 0 HB3 ASP A 52 10.369 0.732 6.849 1.00 0.00 H new ATOM 836 N TYR A 53 9.502 -1.282 4.765 1.00 0.00 N ATOM 837 CA TYR A 53 9.317 -2.701 4.521 1.00 0.00 C ATOM 838 C TYR A 53 9.596 -3.000 3.047 1.00 0.00 C ATOM 839 O TYR A 53 10.245 -3.995 2.732 1.00 0.00 O ATOM 840 CB TYR A 53 7.906 -3.126 4.914 1.00 0.00 C ATOM 841 CG TYR A 53 7.481 -4.461 4.343 1.00 0.00 C ATOM 842 CD1 TYR A 53 8.090 -5.645 4.780 1.00 0.00 C ATOM 843 CD2 TYR A 53 6.471 -4.507 3.372 1.00 0.00 C ATOM 844 CE1 TYR A 53 7.692 -6.878 4.241 1.00 0.00 C ATOM 845 CE2 TYR A 53 6.070 -5.735 2.830 1.00 0.00 C ATOM 846 CZ TYR A 53 6.681 -6.925 3.262 1.00 0.00 C ATOM 847 OH TYR A 53 6.294 -8.120 2.735 1.00 0.00 O ATOM 0 H TYR A 53 8.668 -0.793 5.089 1.00 0.00 H new ATOM 0 HA TYR A 53 10.016 -3.273 5.132 1.00 0.00 H new ATOM 0 HB2 TYR A 53 7.841 -3.171 6.001 1.00 0.00 H new ATOM 0 HB3 TYR A 53 7.203 -2.361 4.584 1.00 0.00 H new ATOM 0 HD1 TYR A 53 8.865 -5.609 5.531 1.00 0.00 H new ATOM 0 HD2 TYR A 53 6.001 -3.593 3.041 1.00 0.00 H new ATOM 0 HE1 TYR A 53 8.161 -7.791 4.577 1.00 0.00 H new ATOM 0 HE2 TYR A 53 5.292 -5.767 2.081 1.00 0.00 H new ATOM 0 HH TYR A 53 5.586 -7.972 2.074 1.00 0.00 H new ATOM 857 N SER A 54 9.113 -2.148 2.135 1.00 0.00 N ATOM 858 CA SER A 54 9.417 -2.317 0.720 1.00 0.00 C ATOM 859 C SER A 54 10.895 -2.044 0.449 1.00 0.00 C ATOM 860 O SER A 54 11.507 -2.695 -0.396 1.00 0.00 O ATOM 861 CB SER A 54 8.577 -1.346 -0.113 1.00 0.00 C ATOM 862 OG SER A 54 8.799 -1.583 -1.485 1.00 0.00 O ATOM 0 H SER A 54 8.519 -1.348 2.352 1.00 0.00 H new ATOM 0 HA SER A 54 9.184 -3.345 0.444 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.520 -1.471 0.121 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.839 -0.318 0.135 1.00 0.00 H new ATOM 0 HG SER A 54 8.057 -1.210 -2.006 1.00 0.00 H new ATOM 868 N ARG A 55 11.468 -1.078 1.173 1.00 0.00 N ATOM 869 CA ARG A 55 12.832 -0.612 0.971 1.00 0.00 C ATOM 870 C ARG A 55 13.881 -1.683 1.270 1.00 0.00 C ATOM 871 O ARG A 55 14.847 -1.821 0.521 1.00 0.00 O ATOM 872 CB ARG A 55 13.029 0.608 1.879 1.00 0.00 C ATOM 873 CG ARG A 55 14.429 1.211 1.816 1.00 0.00 C ATOM 874 CD ARG A 55 14.806 1.565 0.381 1.00 0.00 C ATOM 875 NE ARG A 55 16.141 2.177 0.334 1.00 0.00 N ATOM 876 CZ ARG A 55 16.432 3.346 -0.245 1.00 0.00 C ATOM 877 NH1 ARG A 55 15.504 4.077 -0.860 1.00 0.00 N ATOM 878 NH2 ARG A 55 17.682 3.801 -0.209 1.00 0.00 N ATOM 0 H ARG A 55 10.983 -0.593 1.928 1.00 0.00 H new ATOM 0 HA ARG A 55 12.971 -0.357 -0.080 1.00 0.00 H new ATOM 0 HB2 ARG A 55 12.303 1.373 1.604 1.00 0.00 H new ATOM 0 HB3 ARG A 55 12.815 0.320 2.908 1.00 0.00 H new ATOM 0 HG2 ARG A 55 14.473 2.105 2.439 1.00 0.00 H new ATOM 0 HG3 ARG A 55 15.152 0.504 2.222 1.00 0.00 H new ATOM 0 HD2 ARG A 55 14.789 0.667 -0.237 1.00 0.00 H new ATOM 0 HD3 ARG A 55 14.070 2.253 -0.035 1.00 0.00 H new ATOM 0 HE ARG A 55 16.906 1.670 0.778 1.00 0.00 H new ATOM 0 HH11 ARG A 55 14.539 3.749 -0.899 1.00 0.00 H new ATOM 0 HH12 ARG A 55 15.758 4.965 -1.292 1.00 0.00 H new ATOM 0 HH21 ARG A 55 18.409 3.259 0.258 1.00 0.00 H new ATOM 0 HH22 ARG A 55 17.913 4.692 -0.648 1.00 0.00 H new ATOM 892 N LEU A 56 13.696 -2.438 2.352 1.00 0.00 N ATOM 893 CA LEU A 56 14.674 -3.414 2.805 1.00 0.00 C ATOM 894 C LEU A 56 14.461 -4.815 2.234 1.00 0.00 C ATOM 895 O LEU A 56 15.356 -5.653 2.328 1.00 0.00 O ATOM 896 CB LEU A 56 14.619 -3.484 4.330 1.00 0.00 C ATOM 897 CG LEU A 56 15.076 -2.186 5.009 1.00 0.00 C ATOM 898 CD1 LEU A 56 14.994 -2.366 6.524 1.00 0.00 C ATOM 899 CD2 LEU A 56 16.514 -1.825 4.641 1.00 0.00 C ATOM 0 H LEU A 56 12.862 -2.387 2.937 1.00 0.00 H new ATOM 0 HA LEU A 56 15.647 -3.079 2.446 1.00 0.00 H new ATOM 0 HB2 LEU A 56 13.599 -3.710 4.641 1.00 0.00 H new ATOM 0 HB3 LEU A 56 15.246 -4.307 4.673 1.00 0.00 H new ATOM 0 HG LEU A 56 14.424 -1.382 4.668 1.00 0.00 H new ATOM 0 HD11 LEU A 56 15.317 -1.449 7.017 1.00 0.00 H new ATOM 0 HD12 LEU A 56 13.966 -2.589 6.809 1.00 0.00 H new ATOM 0 HD13 LEU A 56 15.641 -3.189 6.828 1.00 0.00 H new ATOM 0 HD21 LEU A 56 16.797 -0.900 5.143 1.00 0.00 H new ATOM 0 HD22 LEU A 56 17.182 -2.627 4.955 1.00 0.00 H new ATOM 0 HD23 LEU A 56 16.591 -1.690 3.562 1.00 0.00 H new ATOM 911 N CYS A 57 13.292 -5.075 1.650 1.00 0.00 N ATOM 912 CA CYS A 57 12.906 -6.424 1.262 1.00 0.00 C ATOM 913 C CYS A 57 12.969 -6.669 -0.254 1.00 0.00 C ATOM 914 O CYS A 57 12.873 -5.727 -1.041 1.00 0.00 O ATOM 915 CB CYS A 57 11.524 -6.711 1.843 1.00 0.00 C ATOM 916 SG CYS A 57 11.630 -6.647 3.655 1.00 0.00 S ATOM 0 H CYS A 57 12.595 -4.362 1.436 1.00 0.00 H new ATOM 0 HA CYS A 57 13.632 -7.126 1.673 1.00 0.00 H new ATOM 0 HB2 CYS A 57 10.802 -5.979 1.481 1.00 0.00 H new ATOM 0 HB3 CYS A 57 11.174 -7.691 1.519 1.00 0.00 H new ATOM 0 HG CYS A 57 10.474 -6.311 4.146 1.00 0.00 H new ATOM 922 N PRO A 58 13.131 -7.942 -0.656 1.00 0.00 N ATOM 923 CA PRO A 58 13.228 -8.394 -2.040 1.00 0.00 C ATOM 924 C PRO A 58 11.923 -8.257 -2.828 1.00 0.00 C ATOM 925 O PRO A 58 10.932 -7.720 -2.337 1.00 0.00 O ATOM 926 CB PRO A 58 13.674 -9.857 -1.945 1.00 0.00 C ATOM 927 CG PRO A 58 13.066 -10.315 -0.623 1.00 0.00 C ATOM 928 CD PRO A 58 13.250 -9.076 0.245 1.00 0.00 C ATOM 0 HA PRO A 58 13.931 -7.772 -2.595 1.00 0.00 H new ATOM 0 HB2 PRO A 58 13.306 -10.447 -2.785 1.00 0.00 H new ATOM 0 HB3 PRO A 58 14.760 -9.949 -1.943 1.00 0.00 H new ATOM 0 HG2 PRO A 58 12.016 -10.589 -0.728 1.00 0.00 H new ATOM 0 HG3 PRO A 58 13.583 -11.183 -0.213 1.00 0.00 H new ATOM 0 HD2 PRO A 58 12.495 -9.033 1.030 1.00 0.00 H new ATOM 0 HD3 PRO A 58 14.222 -9.084 0.738 1.00 0.00 H new ATOM 936 N ASP A 59 11.942 -8.758 -4.069 1.00 0.00 N ATOM 937 CA ASP A 59 10.902 -8.580 -5.075 1.00 0.00 C ATOM 938 C ASP A 59 9.496 -8.978 -4.620 1.00 0.00 C ATOM 939 O ASP A 59 8.544 -8.235 -4.871 1.00 0.00 O ATOM 940 CB ASP A 59 11.315 -9.392 -6.308 1.00 0.00 C ATOM 941 CG ASP A 59 11.465 -10.879 -5.997 1.00 0.00 C ATOM 942 OD1 ASP A 59 12.516 -11.247 -5.424 1.00 0.00 O ATOM 943 OD2 ASP A 59 10.532 -11.636 -6.336 1.00 0.00 O ATOM 0 H ASP A 59 12.720 -9.323 -4.409 1.00 0.00 H new ATOM 0 HA ASP A 59 10.827 -7.514 -5.289 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.571 -9.260 -7.093 1.00 0.00 H new ATOM 0 HB3 ASP A 59 12.258 -9.007 -6.695 1.00 0.00 H new ATOM 948 N SER A 60 9.342 -10.129 -3.960 1.00 0.00 N ATOM 949 CA SER A 60 8.025 -10.580 -3.525 1.00 0.00 C ATOM 950 C SER A 60 7.420 -9.574 -2.554 1.00 0.00 C ATOM 951 O SER A 60 6.202 -9.454 -2.442 1.00 0.00 O ATOM 952 CB SER A 60 8.147 -11.947 -2.851 1.00 0.00 C ATOM 953 OG SER A 60 8.546 -12.922 -3.788 1.00 0.00 O ATOM 0 H SER A 60 10.108 -10.758 -3.719 1.00 0.00 H new ATOM 0 HA SER A 60 7.372 -10.664 -4.394 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.872 -11.896 -2.039 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.191 -12.228 -2.408 1.00 0.00 H new ATOM 0 HG SER A 60 8.622 -13.792 -3.343 1.00 0.00 H new ATOM 959 N HIS A 61 8.282 -8.843 -1.845 1.00 0.00 N ATOM 960 CA HIS A 61 7.853 -7.850 -0.881 1.00 0.00 C ATOM 961 C HIS A 61 7.726 -6.472 -1.525 1.00 0.00 C ATOM 962 O HIS A 61 7.085 -5.594 -0.950 1.00 0.00 O ATOM 963 CB HIS A 61 8.816 -7.878 0.302 1.00 0.00 C ATOM 964 CG HIS A 61 8.951 -9.268 0.870 1.00 0.00 C ATOM 965 ND1 HIS A 61 10.153 -9.878 1.238 1.00 0.00 N ATOM 966 CD2 HIS A 61 7.924 -10.138 1.101 1.00 0.00 C ATOM 967 CE1 HIS A 61 9.816 -11.100 1.681 1.00 0.00 C ATOM 968 NE2 HIS A 61 8.489 -11.281 1.606 1.00 0.00 N ATOM 0 H HIS A 61 9.295 -8.929 -1.929 1.00 0.00 H new ATOM 0 HA HIS A 61 6.855 -8.086 -0.512 1.00 0.00 H new ATOM 0 HB2 HIS A 61 9.794 -7.516 -0.015 1.00 0.00 H new ATOM 0 HB3 HIS A 61 8.461 -7.199 1.078 1.00 0.00 H new ATOM 0 HD2 HIS A 61 6.874 -9.961 0.921 1.00 0.00 H new ATOM 0 HE1 HIS A 61 10.517 -11.836 2.047 1.00 0.00 H new ATOM 0 HE2 HIS A 61 7.986 -12.125 1.878 1.00 0.00 H new ATOM 976 N LYS A 62 8.320 -6.252 -2.707 1.00 0.00 N ATOM 977 CA LYS A 62 8.042 -5.047 -3.471 1.00 0.00 C ATOM 978 C LYS A 62 6.585 -5.120 -3.903 1.00 0.00 C ATOM 979 O LYS A 62 5.837 -4.157 -3.756 1.00 0.00 O ATOM 980 CB LYS A 62 8.946 -4.962 -4.704 1.00 0.00 C ATOM 981 CG LYS A 62 10.438 -4.851 -4.372 1.00 0.00 C ATOM 982 CD LYS A 62 10.754 -3.534 -3.664 1.00 0.00 C ATOM 983 CE LYS A 62 12.269 -3.423 -3.502 1.00 0.00 C ATOM 984 NZ LYS A 62 12.647 -2.154 -2.855 1.00 0.00 N ATOM 0 H LYS A 62 8.987 -6.889 -3.143 1.00 0.00 H new ATOM 0 HA LYS A 62 8.232 -4.162 -2.864 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.786 -5.846 -5.322 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.651 -4.099 -5.300 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.735 -5.687 -3.739 1.00 0.00 H new ATOM 0 HG3 LYS A 62 11.023 -4.923 -5.289 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.372 -2.692 -4.242 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.265 -3.500 -2.690 1.00 0.00 H new ATOM 0 HE2 LYS A 62 12.636 -4.260 -2.908 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.747 -3.492 -4.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.662 -1.980 -2.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 12.099 -1.375 -3.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.447 -2.211 -1.836 1.00 0.00 H new ATOM 998 N LEU A 63 6.185 -6.278 -4.440 1.00 0.00 N ATOM 999 CA LEU A 63 4.814 -6.478 -4.879 1.00 0.00 C ATOM 1000 C LEU A 63 3.864 -6.473 -3.682 1.00 0.00 C ATOM 1001 O LEU A 63 2.840 -5.788 -3.694 1.00 0.00 O ATOM 1002 CB LEU A 63 4.724 -7.801 -5.646 1.00 0.00 C ATOM 1003 CG LEU A 63 3.318 -8.070 -6.192 1.00 0.00 C ATOM 1004 CD1 LEU A 63 2.892 -6.985 -7.183 1.00 0.00 C ATOM 1005 CD2 LEU A 63 3.316 -9.417 -6.912 1.00 0.00 C ATOM 0 H LEU A 63 6.795 -7.084 -4.578 1.00 0.00 H new ATOM 0 HA LEU A 63 4.517 -5.663 -5.539 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.434 -7.787 -6.473 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.017 -8.619 -4.988 1.00 0.00 H new ATOM 0 HG LEU A 63 2.619 -8.073 -5.356 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.890 -7.203 -7.553 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.891 -6.016 -6.684 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.591 -6.961 -8.019 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.319 -9.618 -7.305 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.031 -9.391 -7.734 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.596 -10.204 -6.212 1.00 0.00 H new ATOM 1017 N GLY A 64 4.204 -7.241 -2.641 1.00 0.00 N ATOM 1018 CA GLY A 64 3.382 -7.312 -1.445 1.00 0.00 C ATOM 1019 C GLY A 64 3.206 -5.933 -0.827 1.00 0.00 C ATOM 1020 O GLY A 64 2.091 -5.553 -0.473 1.00 0.00 O ATOM 0 H GLY A 64 5.044 -7.819 -2.610 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.407 -7.731 -1.693 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.843 -7.984 -0.721 1.00 0.00 H new ATOM 1024 N SER A 65 4.296 -5.174 -0.693 1.00 0.00 N ATOM 1025 CA SER A 65 4.203 -3.851 -0.103 1.00 0.00 C ATOM 1026 C SER A 65 3.317 -2.958 -0.960 1.00 0.00 C ATOM 1027 O SER A 65 2.470 -2.262 -0.414 1.00 0.00 O ATOM 1028 CB SER A 65 5.582 -3.239 0.113 1.00 0.00 C ATOM 1029 OG SER A 65 5.422 -2.087 0.917 1.00 0.00 O ATOM 0 H SER A 65 5.234 -5.452 -0.981 1.00 0.00 H new ATOM 0 HA SER A 65 3.743 -3.942 0.881 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.246 -3.954 0.598 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.038 -2.978 -0.842 1.00 0.00 H new ATOM 0 HG SER A 65 5.023 -2.340 1.775 1.00 0.00 H new ATOM 1035 N LEU A 66 3.482 -2.957 -2.286 1.00 0.00 N ATOM 1036 CA LEU A 66 2.600 -2.164 -3.129 1.00 0.00 C ATOM 1037 C LEU A 66 1.137 -2.507 -2.856 1.00 0.00 C ATOM 1038 O LEU A 66 0.315 -1.597 -2.808 1.00 0.00 O ATOM 1039 CB LEU A 66 2.906 -2.394 -4.611 1.00 0.00 C ATOM 1040 CG LEU A 66 4.147 -1.649 -5.103 1.00 0.00 C ATOM 1041 CD1 LEU A 66 4.300 -1.937 -6.594 1.00 0.00 C ATOM 1042 CD2 LEU A 66 4.010 -0.137 -4.913 1.00 0.00 C ATOM 0 H LEU A 66 4.200 -3.484 -2.783 1.00 0.00 H new ATOM 0 HA LEU A 66 2.773 -1.115 -2.889 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.041 -3.462 -4.784 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.046 -2.081 -5.204 1.00 0.00 H new ATOM 0 HG LEU A 66 5.011 -1.986 -4.530 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.179 -1.418 -6.976 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.416 -3.010 -6.747 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.414 -1.589 -7.125 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.911 0.358 -5.274 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.148 0.224 -5.474 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.873 0.086 -3.855 1.00 0.00 H new ATOM 1054 N TYR A 67 0.793 -3.787 -2.677 1.00 0.00 N ATOM 1055 CA TYR A 67 -0.590 -4.141 -2.372 1.00 0.00 C ATOM 1056 C TYR A 67 -0.994 -3.653 -0.975 1.00 0.00 C ATOM 1057 O TYR A 67 -2.172 -3.404 -0.733 1.00 0.00 O ATOM 1058 CB TYR A 67 -0.825 -5.645 -2.567 1.00 0.00 C ATOM 1059 CG TYR A 67 -1.072 -6.050 -4.009 1.00 0.00 C ATOM 1060 CD1 TYR A 67 -0.248 -5.558 -5.035 1.00 0.00 C ATOM 1061 CD2 TYR A 67 -2.129 -6.924 -4.329 1.00 0.00 C ATOM 1062 CE1 TYR A 67 -0.492 -5.905 -6.371 1.00 0.00 C ATOM 1063 CE2 TYR A 67 -2.378 -7.275 -5.662 1.00 0.00 C ATOM 1064 CZ TYR A 67 -1.565 -6.759 -6.691 1.00 0.00 C ATOM 1065 OH TYR A 67 -1.818 -7.080 -7.992 1.00 0.00 O ATOM 0 H TYR A 67 1.438 -4.575 -2.737 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.242 -3.626 -3.078 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.041 -6.189 -2.191 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.680 -5.950 -1.963 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.579 -4.908 -4.793 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.751 -7.326 -3.543 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.143 -5.518 -7.154 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.193 -7.941 -5.901 1.00 0.00 H new ATOM 0 HH TYR A 67 -1.335 -6.464 -8.581 1.00 0.00 H new ATOM 1075 N ILE A 68 -0.035 -3.512 -0.051 1.00 0.00 N ATOM 1076 CA ILE A 68 -0.302 -2.952 1.274 1.00 0.00 C ATOM 1077 C ILE A 68 -0.481 -1.430 1.208 1.00 0.00 C ATOM 1078 O ILE A 68 -1.401 -0.890 1.823 1.00 0.00 O ATOM 1079 CB ILE A 68 0.827 -3.355 2.231 1.00 0.00 C ATOM 1080 CG1 ILE A 68 0.806 -4.878 2.423 1.00 0.00 C ATOM 1081 CG2 ILE A 68 0.656 -2.655 3.582 1.00 0.00 C ATOM 1082 CD1 ILE A 68 2.133 -5.379 2.991 1.00 0.00 C ATOM 0 H ILE A 68 0.937 -3.781 -0.201 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.240 -3.358 1.654 1.00 0.00 H new ATOM 0 HB ILE A 68 1.784 -3.053 1.805 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.007 -5.152 3.095 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.608 -5.365 1.468 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.465 -2.951 4.250 1.00 0.00 H new ATOM 0 HG22 ILE A 68 0.681 -1.575 3.438 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.300 -2.940 4.021 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.090 -6.461 3.117 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.941 -5.125 2.305 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.316 -4.909 3.957 1.00 0.00 H new ATOM 1094 N ILE A 69 0.387 -0.730 0.466 1.00 0.00 N ATOM 1095 CA ILE A 69 0.262 0.708 0.248 1.00 0.00 C ATOM 1096 C ILE A 69 -1.070 0.981 -0.443 1.00 0.00 C ATOM 1097 O ILE A 69 -1.711 1.998 -0.199 1.00 0.00 O ATOM 1098 CB ILE A 69 1.432 1.219 -0.618 1.00 0.00 C ATOM 1099 CG1 ILE A 69 2.694 1.503 0.206 1.00 0.00 C ATOM 1100 CG2 ILE A 69 1.063 2.538 -1.305 1.00 0.00 C ATOM 1101 CD1 ILE A 69 3.446 0.235 0.603 1.00 0.00 C ATOM 0 H ILE A 69 1.193 -1.149 0.002 1.00 0.00 H new ATOM 0 HA ILE A 69 0.294 1.232 1.203 1.00 0.00 H new ATOM 0 HB ILE A 69 1.628 0.426 -1.340 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.359 2.148 -0.369 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.417 2.052 1.106 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.902 2.880 -1.910 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.193 2.385 -1.944 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.830 3.289 -0.550 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.329 0.502 1.184 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.795 -0.401 1.203 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.751 -0.303 -0.294 1.00 0.00 H new ATOM 1113 N ASP A 70 -1.481 0.058 -1.310 1.00 0.00 N ATOM 1114 CA ASP A 70 -2.706 0.138 -2.085 1.00 0.00 C ATOM 1115 C ASP A 70 -3.940 -0.065 -1.208 1.00 0.00 C ATOM 1116 O ASP A 70 -4.897 0.694 -1.343 1.00 0.00 O ATOM 1117 CB ASP A 70 -2.575 -0.903 -3.194 1.00 0.00 C ATOM 1118 CG ASP A 70 -3.737 -0.889 -4.165 1.00 0.00 C ATOM 1119 OD1 ASP A 70 -3.969 0.179 -4.770 1.00 0.00 O ATOM 1120 OD2 ASP A 70 -4.380 -1.952 -4.289 1.00 0.00 O ATOM 0 H ASP A 70 -0.949 -0.792 -1.495 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.845 1.128 -2.519 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.650 -0.726 -3.742 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.496 -1.894 -2.746 1.00 0.00 H new ATOM 1125 N SER A 71 -3.946 -1.063 -0.318 1.00 0.00 N ATOM 1126 CA SER A 71 -5.091 -1.307 0.543 1.00 0.00 C ATOM 1127 C SER A 71 -5.264 -0.165 1.536 1.00 0.00 C ATOM 1128 O SER A 71 -6.329 0.447 1.595 1.00 0.00 O ATOM 1129 CB SER A 71 -4.901 -2.642 1.260 1.00 0.00 C ATOM 1130 OG SER A 71 -3.695 -2.645 1.990 1.00 0.00 O ATOM 0 H SER A 71 -3.169 -1.710 -0.181 1.00 0.00 H new ATOM 0 HA SER A 71 -5.999 -1.356 -0.058 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.740 -2.823 1.932 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.894 -3.454 0.533 1.00 0.00 H new ATOM 0 HG SER A 71 -3.678 -3.419 2.591 1.00 0.00 H new ATOM 1136 N ILE A 72 -4.218 0.124 2.315 1.00 0.00 N ATOM 1137 CA ILE A 72 -4.252 1.204 3.281 1.00 0.00 C ATOM 1138 C ILE A 72 -4.429 2.532 2.547 1.00 0.00 C ATOM 1139 O ILE A 72 -5.051 3.449 3.074 1.00 0.00 O ATOM 1140 CB ILE A 72 -2.971 1.162 4.126 1.00 0.00 C ATOM 1141 CG1 ILE A 72 -2.901 -0.193 4.851 1.00 0.00 C ATOM 1142 CG2 ILE A 72 -2.971 2.307 5.141 1.00 0.00 C ATOM 1143 CD1 ILE A 72 -1.693 -0.298 5.780 1.00 0.00 C ATOM 0 H ILE A 72 -3.334 -0.385 2.288 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.097 1.094 3.960 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.100 1.278 3.481 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.813 -0.340 5.429 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.859 -0.994 4.113 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.058 2.267 5.735 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.020 3.260 4.614 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.835 2.211 5.798 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.692 -1.273 6.266 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.777 -0.180 5.201 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.747 0.485 6.537 1.00 0.00 H new ATOM 1155 N GLY A 73 -3.887 2.641 1.329 1.00 0.00 N ATOM 1156 CA GLY A 73 -3.989 3.848 0.524 1.00 0.00 C ATOM 1157 C GLY A 73 -5.430 4.151 0.128 1.00 0.00 C ATOM 1158 O GLY A 73 -5.921 5.243 0.408 1.00 0.00 O ATOM 0 H GLY A 73 -3.365 1.889 0.879 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.581 4.691 1.082 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.382 3.737 -0.374 1.00 0.00 H new ATOM 1162 N ARG A 74 -6.119 3.202 -0.519 1.00 0.00 N ATOM 1163 CA ARG A 74 -7.492 3.443 -0.950 1.00 0.00 C ATOM 1164 C ARG A 74 -8.416 3.580 0.252 1.00 0.00 C ATOM 1165 O ARG A 74 -9.388 4.332 0.200 1.00 0.00 O ATOM 1166 CB ARG A 74 -7.966 2.348 -1.918 1.00 0.00 C ATOM 1167 CG ARG A 74 -8.200 0.992 -1.262 1.00 0.00 C ATOM 1168 CD ARG A 74 -8.983 0.098 -2.228 1.00 0.00 C ATOM 1169 NE ARG A 74 -8.352 0.001 -3.543 1.00 0.00 N ATOM 1170 CZ ARG A 74 -7.174 -0.586 -3.734 1.00 0.00 C ATOM 1171 NH1 ARG A 74 -6.557 -1.187 -2.727 1.00 0.00 N ATOM 1172 NH2 ARG A 74 -6.604 -0.579 -4.927 1.00 0.00 N ATOM 0 H ARG A 74 -5.752 2.279 -0.750 1.00 0.00 H new ATOM 0 HA ARG A 74 -7.523 4.387 -1.495 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.892 2.674 -2.392 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.225 2.233 -2.710 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -7.247 0.528 -1.008 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -8.753 1.115 -0.331 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.075 -0.900 -1.799 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.993 0.491 -2.342 1.00 0.00 H new ATOM 0 HE ARG A 74 -8.835 0.400 -4.348 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -6.985 -1.201 -1.801 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -5.654 -1.636 -2.877 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -7.068 -0.121 -5.711 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -5.700 -1.032 -5.063 1.00 0.00 H new ATOM 1186 N ALA A 75 -8.121 2.858 1.337 1.00 0.00 N ATOM 1187 CA ALA A 75 -8.933 2.927 2.538 1.00 0.00 C ATOM 1188 C ALA A 75 -8.768 4.284 3.229 1.00 0.00 C ATOM 1189 O ALA A 75 -9.758 4.886 3.647 1.00 0.00 O ATOM 1190 CB ALA A 75 -8.547 1.763 3.443 1.00 0.00 C ATOM 0 H ALA A 75 -7.326 2.222 1.401 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.991 2.841 2.288 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -9.146 1.796 4.353 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.728 0.822 2.923 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.491 1.838 3.701 1.00 0.00 H new ATOM 1196 N TYR A 76 -7.526 4.766 3.352 1.00 0.00 N ATOM 1197 CA TYR A 76 -7.256 6.077 3.924 1.00 0.00 C ATOM 1198 C TYR A 76 -7.894 7.163 3.071 1.00 0.00 C ATOM 1199 O TYR A 76 -8.562 8.044 3.605 1.00 0.00 O ATOM 1200 CB TYR A 76 -5.747 6.328 3.996 1.00 0.00 C ATOM 1201 CG TYR A 76 -5.013 5.715 5.168 1.00 0.00 C ATOM 1202 CD1 TYR A 76 -5.606 4.719 5.960 1.00 0.00 C ATOM 1203 CD2 TYR A 76 -3.717 6.160 5.465 1.00 0.00 C ATOM 1204 CE1 TYR A 76 -4.913 4.186 7.056 1.00 0.00 C ATOM 1205 CE2 TYR A 76 -3.022 5.635 6.561 1.00 0.00 C ATOM 1206 CZ TYR A 76 -3.624 4.653 7.372 1.00 0.00 C ATOM 1207 OH TYR A 76 -2.956 4.166 8.455 1.00 0.00 O ATOM 0 H TYR A 76 -6.691 4.259 3.059 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.678 6.102 4.929 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -5.295 5.953 3.078 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -5.582 7.405 4.016 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -6.598 4.363 5.725 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -3.252 6.912 4.845 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -5.370 3.415 7.659 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -2.024 5.983 6.785 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.080 4.600 8.521 1.00 0.00 H new ATOM 1217 N LEU A 77 -7.688 7.095 1.754 1.00 0.00 N ATOM 1218 CA LEU A 77 -8.176 8.106 0.833 1.00 0.00 C ATOM 1219 C LEU A 77 -9.696 8.216 0.930 1.00 0.00 C ATOM 1220 O LEU A 77 -10.236 9.316 1.030 1.00 0.00 O ATOM 1221 CB LEU A 77 -7.729 7.731 -0.580 1.00 0.00 C ATOM 1222 CG LEU A 77 -8.179 8.752 -1.625 1.00 0.00 C ATOM 1223 CD1 LEU A 77 -7.614 10.143 -1.334 1.00 0.00 C ATOM 1224 CD2 LEU A 77 -7.681 8.296 -2.996 1.00 0.00 C ATOM 0 H LEU A 77 -7.178 6.336 1.303 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.764 9.083 1.087 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.643 7.646 -0.604 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.131 6.751 -0.837 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.267 8.814 -1.599 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.955 10.842 -2.098 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.958 10.478 -0.356 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.525 10.102 -1.341 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.994 9.014 -3.754 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.593 8.231 -2.985 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.101 7.317 -3.228 1.00 0.00 H new ATOM 1236 N ASP A 78 -10.390 7.075 0.900 1.00 0.00 N ATOM 1237 CA ASP A 78 -11.840 7.062 0.986 1.00 0.00 C ATOM 1238 C ASP A 78 -12.305 7.641 2.318 1.00 0.00 C ATOM 1239 O ASP A 78 -13.198 8.485 2.354 1.00 0.00 O ATOM 1240 CB ASP A 78 -12.340 5.626 0.847 1.00 0.00 C ATOM 1241 CG ASP A 78 -13.865 5.582 0.778 1.00 0.00 C ATOM 1242 OD1 ASP A 78 -14.407 6.029 -0.256 1.00 0.00 O ATOM 1243 OD2 ASP A 78 -14.478 5.105 1.758 1.00 0.00 O ATOM 0 H ASP A 78 -9.965 6.152 0.817 1.00 0.00 H new ATOM 0 HA ASP A 78 -12.247 7.675 0.182 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -11.919 5.176 -0.052 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -11.993 5.033 1.693 1.00 0.00 H new ATOM 1248 N GLU A 79 -11.701 7.191 3.419 1.00 0.00 N ATOM 1249 CA GLU A 79 -12.143 7.606 4.738 1.00 0.00 C ATOM 1250 C GLU A 79 -11.901 9.099 4.969 1.00 0.00 C ATOM 1251 O GLU A 79 -12.732 9.761 5.593 1.00 0.00 O ATOM 1252 CB GLU A 79 -11.440 6.759 5.798 1.00 0.00 C ATOM 1253 CG GLU A 79 -12.024 7.065 7.177 1.00 0.00 C ATOM 1254 CD GLU A 79 -11.414 6.160 8.241 1.00 0.00 C ATOM 1255 OE1 GLU A 79 -11.880 5.005 8.352 1.00 0.00 O ATOM 1256 OE2 GLU A 79 -10.485 6.631 8.935 1.00 0.00 O ATOM 0 H GLU A 79 -10.912 6.545 3.418 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.219 7.448 4.813 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.560 5.700 5.569 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.370 6.967 5.792 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -11.838 8.108 7.431 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -13.105 6.930 7.156 1.00 0.00 H new ATOM 1263 N THR A 80 -10.781 9.638 4.480 1.00 0.00 N ATOM 1264 CA THR A 80 -10.453 11.042 4.688 1.00 0.00 C ATOM 1265 C THR A 80 -11.161 11.941 3.675 1.00 0.00 C ATOM 1266 O THR A 80 -11.291 13.138 3.908 1.00 0.00 O ATOM 1267 CB THR A 80 -8.934 11.237 4.692 1.00 0.00 C ATOM 1268 OG1 THR A 80 -8.621 12.499 5.238 1.00 0.00 O ATOM 1269 CG2 THR A 80 -8.322 11.156 3.296 1.00 0.00 C ATOM 0 H THR A 80 -10.089 9.120 3.938 1.00 0.00 H new ATOM 0 HA THR A 80 -10.823 11.345 5.668 1.00 0.00 H new ATOM 0 HB THR A 80 -8.516 10.428 5.292 1.00 0.00 H new ATOM 0 HG1 THR A 80 -9.300 13.151 4.965 1.00 0.00 H new ATOM 0 HG21 THR A 80 -7.244 11.302 3.362 1.00 0.00 H new ATOM 0 HG22 THR A 80 -8.530 10.177 2.864 1.00 0.00 H new ATOM 0 HG23 THR A 80 -8.755 11.931 2.664 1.00 0.00 H new ATOM 1277 N ARG A 81 -11.621 11.379 2.550 1.00 0.00 N ATOM 1278 CA ARG A 81 -12.407 12.131 1.577 1.00 0.00 C ATOM 1279 C ARG A 81 -13.889 12.143 1.949 1.00 0.00 C ATOM 1280 O ARG A 81 -14.601 13.078 1.587 1.00 0.00 O ATOM 1281 CB ARG A 81 -12.176 11.531 0.187 1.00 0.00 C ATOM 1282 CG ARG A 81 -12.867 12.360 -0.899 1.00 0.00 C ATOM 1283 CD ARG A 81 -12.538 11.779 -2.275 1.00 0.00 C ATOM 1284 NE ARG A 81 -13.174 12.560 -3.342 1.00 0.00 N ATOM 1285 CZ ARG A 81 -14.422 12.363 -3.780 1.00 0.00 C ATOM 1286 NH1 ARG A 81 -15.189 11.406 -3.262 1.00 0.00 N ATOM 1287 NH2 ARG A 81 -14.914 13.132 -4.748 1.00 0.00 N ATOM 0 H ARG A 81 -11.460 10.405 2.295 1.00 0.00 H new ATOM 0 HA ARG A 81 -12.082 13.172 1.574 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -11.106 11.481 -0.016 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -12.554 10.509 0.163 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -13.945 12.358 -0.741 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -12.538 13.398 -0.843 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -11.458 11.770 -2.421 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -12.876 10.744 -2.327 1.00 0.00 H new ATOM 0 HE ARG A 81 -12.628 13.303 -3.779 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -14.827 10.809 -2.519 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -16.139 11.270 -3.608 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -14.339 13.870 -5.155 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -15.866 12.983 -5.083 1.00 0.00 H new ATOM 1441 N THR A 93 -2.522 12.652 10.593 1.00 0.00 N ATOM 1442 CA THR A 93 -3.266 11.410 10.391 1.00 0.00 C ATOM 1443 C THR A 93 -3.173 10.850 8.967 1.00 0.00 C ATOM 1444 O THR A 93 -2.249 11.176 8.224 1.00 0.00 O ATOM 1445 CB THR A 93 -4.707 11.560 10.897 1.00 0.00 C ATOM 1446 OG1 THR A 93 -5.054 12.902 11.158 1.00 0.00 O ATOM 1447 CG2 THR A 93 -4.803 10.766 12.200 1.00 0.00 C ATOM 0 HA THR A 93 -2.781 10.645 10.997 1.00 0.00 H new ATOM 0 HB THR A 93 -5.391 11.197 10.129 1.00 0.00 H new ATOM 0 HG1 THR A 93 -4.246 13.456 11.151 1.00 0.00 H new ATOM 0 HG21 THR A 93 -5.814 10.843 12.599 1.00 0.00 H new ATOM 0 HG22 THR A 93 -4.568 9.719 12.006 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.095 11.169 12.924 1.00 0.00 H new ATOM 1455 N CYS A 94 -4.132 10.002 8.577 1.00 0.00 N ATOM 1456 CA CYS A 94 -4.148 9.322 7.290 1.00 0.00 C ATOM 1457 C CYS A 94 -3.992 10.270 6.094 1.00 0.00 C ATOM 1458 O CYS A 94 -3.468 9.861 5.057 1.00 0.00 O ATOM 1459 CB CYS A 94 -5.455 8.537 7.181 1.00 0.00 C ATOM 1460 SG CYS A 94 -6.865 9.649 7.431 1.00 0.00 S ATOM 0 H CYS A 94 -4.933 9.769 9.165 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.285 8.658 7.251 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -5.524 8.063 6.202 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -5.473 7.739 7.924 1.00 0.00 H new ATOM 0 HG CYS A 94 -6.567 10.529 8.340 1.00 0.00 H new ATOM 1466 N ALA A 95 -4.430 11.526 6.207 1.00 0.00 N ATOM 1467 CA ALA A 95 -4.233 12.485 5.132 1.00 0.00 C ATOM 1468 C ALA A 95 -2.737 12.715 4.912 1.00 0.00 C ATOM 1469 O ALA A 95 -2.256 12.715 3.776 1.00 0.00 O ATOM 1470 CB ALA A 95 -4.954 13.786 5.487 1.00 0.00 C ATOM 0 H ALA A 95 -4.917 11.894 7.024 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.650 12.101 4.201 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.811 14.511 4.686 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -6.019 13.589 5.613 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.547 14.186 6.415 1.00 0.00 H new ATOM 1476 N HIS A 96 -1.996 12.914 6.005 1.00 0.00 N ATOM 1477 CA HIS A 96 -0.556 13.113 5.924 1.00 0.00 C ATOM 1478 C HIS A 96 0.147 11.800 5.603 1.00 0.00 C ATOM 1479 O HIS A 96 1.252 11.814 5.064 1.00 0.00 O ATOM 1480 CB HIS A 96 -0.028 13.716 7.225 1.00 0.00 C ATOM 1481 CG HIS A 96 -0.272 15.201 7.332 1.00 0.00 C ATOM 1482 ND1 HIS A 96 0.669 16.140 7.764 1.00 0.00 N ATOM 1483 CD2 HIS A 96 -1.436 15.843 7.024 1.00 0.00 C ATOM 1484 CE1 HIS A 96 0.045 17.326 7.701 1.00 0.00 C ATOM 1485 NE2 HIS A 96 -1.218 17.181 7.262 1.00 0.00 N ATOM 0 H HIS A 96 -2.373 12.941 6.952 1.00 0.00 H new ATOM 0 HA HIS A 96 -0.345 13.814 5.116 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -0.501 13.215 8.069 1.00 0.00 H new ATOM 0 HB3 HIS A 96 1.042 13.524 7.299 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -2.348 15.391 6.664 1.00 0.00 H new ATOM 0 HE1 HIS A 96 0.496 18.270 7.967 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -1.896 17.931 7.129 1.00 0.00 H new ATOM 1493 N ALA A 97 -0.480 10.668 5.927 1.00 0.00 N ATOM 1494 CA ALA A 97 0.063 9.366 5.587 1.00 0.00 C ATOM 1495 C ALA A 97 0.124 9.216 4.070 1.00 0.00 C ATOM 1496 O ALA A 97 1.140 8.782 3.525 1.00 0.00 O ATOM 1497 CB ALA A 97 -0.822 8.288 6.206 1.00 0.00 C ATOM 0 H ALA A 97 -1.368 10.634 6.427 1.00 0.00 H new ATOM 0 HA ALA A 97 1.075 9.264 5.979 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -0.424 7.304 5.958 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -0.840 8.409 7.289 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.835 8.380 5.814 1.00 0.00 H new ATOM 1503 N ILE A 98 -0.965 9.578 3.384 1.00 0.00 N ATOM 1504 CA ILE A 98 -0.998 9.554 1.929 1.00 0.00 C ATOM 1505 C ILE A 98 0.005 10.570 1.391 1.00 0.00 C ATOM 1506 O ILE A 98 0.749 10.276 0.458 1.00 0.00 O ATOM 1507 CB ILE A 98 -2.419 9.873 1.448 1.00 0.00 C ATOM 1508 CG1 ILE A 98 -3.390 8.780 1.906 1.00 0.00 C ATOM 1509 CG2 ILE A 98 -2.451 9.985 -0.080 1.00 0.00 C ATOM 1510 CD1 ILE A 98 -4.840 9.186 1.647 1.00 0.00 C ATOM 0 H ILE A 98 -1.833 9.890 3.819 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.725 8.566 1.559 1.00 0.00 H new ATOM 0 HB ILE A 98 -2.724 10.826 1.880 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -3.170 7.851 1.380 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -3.248 8.586 2.969 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -3.466 10.212 -0.407 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -1.780 10.782 -0.401 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -2.130 9.041 -0.521 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -5.506 8.391 1.982 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -5.065 10.102 2.194 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -4.985 9.355 0.580 1.00 0.00 H new ATOM 1522 N ASN A 99 0.029 11.772 1.979 1.00 0.00 N ATOM 1523 CA ASN A 99 0.959 12.806 1.553 1.00 0.00 C ATOM 1524 C ASN A 99 2.407 12.324 1.668 1.00 0.00 C ATOM 1525 O ASN A 99 3.239 12.664 0.830 1.00 0.00 O ATOM 1526 CB ASN A 99 0.733 14.050 2.410 1.00 0.00 C ATOM 1527 CG ASN A 99 1.551 15.231 1.909 1.00 0.00 C ATOM 1528 OD1 ASN A 99 1.120 15.963 1.022 1.00 0.00 O ATOM 1529 ND2 ASN A 99 2.739 15.429 2.472 1.00 0.00 N ATOM 0 H ASN A 99 -0.585 12.045 2.747 1.00 0.00 H new ATOM 0 HA ASN A 99 0.780 13.045 0.505 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -0.325 14.310 2.403 1.00 0.00 H new ATOM 0 HB3 ASN A 99 1.001 13.834 3.444 1.00 0.00 H new ATOM 0 HD21 ASN A 99 3.323 16.209 2.169 1.00 0.00 H new ATOM 0 HD22 ASN A 99 3.066 14.801 3.206 1.00 0.00 H new ATOM 1536 N THR A 100 2.712 11.532 2.701 1.00 0.00 N ATOM 1537 CA THR A 100 4.058 11.017 2.910 1.00 0.00 C ATOM 1538 C THR A 100 4.392 9.909 1.918 1.00 0.00 C ATOM 1539 O THR A 100 5.508 9.869 1.405 1.00 0.00 O ATOM 1540 CB THR A 100 4.226 10.532 4.348 1.00 0.00 C ATOM 1541 OG1 THR A 100 3.954 11.583 5.248 1.00 0.00 O ATOM 1542 CG2 THR A 100 5.666 10.073 4.569 1.00 0.00 C ATOM 0 H THR A 100 2.037 11.236 3.406 1.00 0.00 H new ATOM 0 HA THR A 100 4.760 11.832 2.736 1.00 0.00 H new ATOM 0 HB THR A 100 3.534 9.707 4.520 1.00 0.00 H new ATOM 0 HG1 THR A 100 2.985 11.664 5.373 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.784 9.727 5.596 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.898 9.258 3.883 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.345 10.906 4.386 1.00 0.00 H new ATOM 1550 N LEU A 101 3.455 9.000 1.627 1.00 0.00 N ATOM 1551 CA LEU A 101 3.701 7.996 0.602 1.00 0.00 C ATOM 1552 C LEU A 101 3.959 8.691 -0.737 1.00 0.00 C ATOM 1553 O LEU A 101 4.696 8.174 -1.572 1.00 0.00 O ATOM 1554 CB LEU A 101 2.489 7.080 0.456 1.00 0.00 C ATOM 1555 CG LEU A 101 2.310 6.098 1.610 1.00 0.00 C ATOM 1556 CD1 LEU A 101 0.893 5.533 1.558 1.00 0.00 C ATOM 1557 CD2 LEU A 101 3.303 4.948 1.458 1.00 0.00 C ATOM 0 H LEU A 101 2.542 8.943 2.078 1.00 0.00 H new ATOM 0 HA LEU A 101 4.568 7.403 0.893 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.592 7.693 0.372 1.00 0.00 H new ATOM 0 HB3 LEU A 101 2.581 6.519 -0.474 1.00 0.00 H new ATOM 0 HG LEU A 101 2.481 6.609 2.558 1.00 0.00 H new ATOM 0 HD11 LEU A 101 0.752 4.829 2.378 1.00 0.00 H new ATOM 0 HD12 LEU A 101 0.173 6.346 1.650 1.00 0.00 H new ATOM 0 HD13 LEU A 101 0.741 5.019 0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.176 4.246 2.282 1.00 0.00 H new ATOM 0 HD22 LEU A 101 3.124 4.435 0.513 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.320 5.341 1.470 1.00 0.00 H new ATOM 1569 N GLY A 102 3.353 9.864 -0.941 1.00 0.00 N ATOM 1570 CA GLY A 102 3.525 10.641 -2.160 1.00 0.00 C ATOM 1571 C GLY A 102 4.976 11.015 -2.458 1.00 0.00 C ATOM 1572 O GLY A 102 5.275 11.413 -3.584 1.00 0.00 O ATOM 0 H GLY A 102 2.729 10.298 -0.261 1.00 0.00 H new ATOM 0 HA2 GLY A 102 3.127 10.072 -3.000 1.00 0.00 H new ATOM 0 HA3 GLY A 102 2.934 11.553 -2.084 1.00 0.00 H new ATOM 1576 N GLU A 103 5.889 10.901 -1.485 1.00 0.00 N ATOM 1577 CA GLU A 103 7.283 11.267 -1.707 1.00 0.00 C ATOM 1578 C GLU A 103 8.173 10.045 -1.944 1.00 0.00 C ATOM 1579 O GLU A 103 9.353 10.196 -2.258 1.00 0.00 O ATOM 1580 CB GLU A 103 7.783 12.158 -0.562 1.00 0.00 C ATOM 1581 CG GLU A 103 8.379 11.364 0.600 1.00 0.00 C ATOM 1582 CD GLU A 103 8.762 12.301 1.745 1.00 0.00 C ATOM 1583 OE1 GLU A 103 7.844 12.732 2.476 1.00 0.00 O ATOM 1584 OE2 GLU A 103 9.976 12.579 1.880 1.00 0.00 O ATOM 0 H GLU A 103 5.684 10.560 -0.546 1.00 0.00 H new ATOM 0 HA GLU A 103 7.343 11.848 -2.628 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.535 12.846 -0.947 1.00 0.00 H new ATOM 0 HB3 GLU A 103 6.955 12.764 -0.193 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.658 10.626 0.952 1.00 0.00 H new ATOM 0 HG3 GLU A 103 9.258 10.816 0.261 1.00 0.00 H new ATOM 1591 N VAL A 104 7.612 8.838 -1.797 1.00 0.00 N ATOM 1592 CA VAL A 104 8.357 7.591 -1.955 1.00 0.00 C ATOM 1593 C VAL A 104 7.740 6.688 -3.015 1.00 0.00 C ATOM 1594 O VAL A 104 8.397 5.762 -3.487 1.00 0.00 O ATOM 1595 CB VAL A 104 8.413 6.839 -0.628 1.00 0.00 C ATOM 1596 CG1 VAL A 104 9.140 7.662 0.433 1.00 0.00 C ATOM 1597 CG2 VAL A 104 6.997 6.517 -0.156 1.00 0.00 C ATOM 0 H VAL A 104 6.628 8.703 -1.565 1.00 0.00 H new ATOM 0 HA VAL A 104 9.364 7.857 -2.278 1.00 0.00 H new ATOM 0 HB VAL A 104 8.965 5.911 -0.780 1.00 0.00 H new ATOM 0 HG11 VAL A 104 9.167 7.105 1.370 1.00 0.00 H new ATOM 0 HG12 VAL A 104 10.158 7.865 0.102 1.00 0.00 H new ATOM 0 HG13 VAL A 104 8.614 8.604 0.586 1.00 0.00 H new ATOM 0 HG21 VAL A 104 7.043 5.980 0.792 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.439 7.443 -0.022 1.00 0.00 H new ATOM 0 HG23 VAL A 104 6.497 5.897 -0.900 1.00 0.00 H new ATOM 1607 N ILE A 105 6.487 6.938 -3.401 1.00 0.00 N ATOM 1608 CA ILE A 105 5.801 6.151 -4.411 1.00 0.00 C ATOM 1609 C ILE A 105 6.629 6.037 -5.695 1.00 0.00 C ATOM 1610 O ILE A 105 6.477 5.069 -6.440 1.00 0.00 O ATOM 1611 CB ILE A 105 4.428 6.798 -4.643 1.00 0.00 C ATOM 1612 CG1 ILE A 105 3.479 5.877 -5.407 1.00 0.00 C ATOM 1613 CG2 ILE A 105 4.556 8.131 -5.384 1.00 0.00 C ATOM 1614 CD1 ILE A 105 3.231 4.596 -4.615 1.00 0.00 C ATOM 0 H ILE A 105 5.923 7.696 -3.017 1.00 0.00 H new ATOM 0 HA ILE A 105 5.664 5.124 -4.072 1.00 0.00 H new ATOM 0 HB ILE A 105 4.005 6.980 -3.655 1.00 0.00 H new ATOM 0 HG12 ILE A 105 2.534 6.388 -5.590 1.00 0.00 H new ATOM 0 HG13 ILE A 105 3.903 5.634 -6.381 1.00 0.00 H new ATOM 0 HG21 ILE A 105 3.566 8.562 -5.532 1.00 0.00 H new ATOM 0 HG22 ILE A 105 5.166 8.817 -4.796 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.028 7.965 -6.353 1.00 0.00 H new ATOM 0 HD11 ILE A 105 2.553 3.949 -5.172 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.177 4.078 -4.455 1.00 0.00 H new ATOM 0 HD13 ILE A 105 2.786 4.844 -3.651 1.00 0.00 H new ATOM 1626 N GLN A 106 7.501 7.018 -5.952 1.00 0.00 N ATOM 1627 CA GLN A 106 8.379 7.015 -7.112 1.00 0.00 C ATOM 1628 C GLN A 106 9.368 5.851 -7.065 1.00 0.00 C ATOM 1629 O GLN A 106 9.522 5.143 -8.059 1.00 0.00 O ATOM 1630 CB GLN A 106 9.102 8.363 -7.223 1.00 0.00 C ATOM 1631 CG GLN A 106 9.812 8.760 -5.926 1.00 0.00 C ATOM 1632 CD GLN A 106 10.541 10.093 -6.066 1.00 0.00 C ATOM 1633 OE1 GLN A 106 10.813 10.554 -7.172 1.00 0.00 O ATOM 1634 NE2 GLN A 106 10.862 10.723 -4.941 1.00 0.00 N ATOM 0 H GLN A 106 7.613 7.837 -5.354 1.00 0.00 H new ATOM 0 HA GLN A 106 7.770 6.874 -8.005 1.00 0.00 H new ATOM 0 HB2 GLN A 106 9.831 8.314 -8.032 1.00 0.00 H new ATOM 0 HB3 GLN A 106 8.382 9.136 -7.490 1.00 0.00 H new ATOM 0 HG2 GLN A 106 9.083 8.827 -5.118 1.00 0.00 H new ATOM 0 HG3 GLN A 106 10.525 7.983 -5.649 1.00 0.00 H new ATOM 0 HE21 GLN A 106 10.621 10.311 -4.039 1.00 0.00 H new ATOM 0 HE22 GLN A 106 11.350 11.618 -4.979 1.00 0.00 H new ATOM 1643 N GLU A 107 10.037 5.640 -5.930 1.00 0.00 N ATOM 1644 CA GLU A 107 11.019 4.573 -5.817 1.00 0.00 C ATOM 1645 C GLU A 107 10.331 3.226 -5.595 1.00 0.00 C ATOM 1646 O GLU A 107 10.839 2.195 -6.031 1.00 0.00 O ATOM 1647 CB GLU A 107 12.052 4.884 -4.726 1.00 0.00 C ATOM 1648 CG GLU A 107 11.435 5.072 -3.341 1.00 0.00 C ATOM 1649 CD GLU A 107 12.526 5.207 -2.281 1.00 0.00 C ATOM 1650 OE1 GLU A 107 13.038 6.337 -2.118 1.00 0.00 O ATOM 1651 OE2 GLU A 107 12.838 4.177 -1.641 1.00 0.00 O ATOM 0 H GLU A 107 9.914 6.194 -5.082 1.00 0.00 H new ATOM 0 HA GLU A 107 11.565 4.506 -6.758 1.00 0.00 H new ATOM 0 HB2 GLU A 107 12.780 4.074 -4.684 1.00 0.00 H new ATOM 0 HB3 GLU A 107 12.596 5.788 -4.999 1.00 0.00 H new ATOM 0 HG2 GLU A 107 10.803 5.960 -3.336 1.00 0.00 H new ATOM 0 HG3 GLU A 107 10.793 4.223 -3.104 1.00 0.00 H new ATOM 1658 N LEU A 108 9.177 3.234 -4.923 1.00 0.00 N ATOM 1659 CA LEU A 108 8.421 2.011 -4.694 1.00 0.00 C ATOM 1660 C LEU A 108 8.000 1.410 -6.033 1.00 0.00 C ATOM 1661 O LEU A 108 8.269 0.237 -6.288 1.00 0.00 O ATOM 1662 CB LEU A 108 7.197 2.300 -3.818 1.00 0.00 C ATOM 1663 CG LEU A 108 7.450 1.990 -2.337 1.00 0.00 C ATOM 1664 CD1 LEU A 108 8.640 2.765 -1.779 1.00 0.00 C ATOM 1665 CD2 LEU A 108 6.205 2.351 -1.528 1.00 0.00 C ATOM 0 H LEU A 108 8.751 4.074 -4.531 1.00 0.00 H new ATOM 0 HA LEU A 108 9.050 1.292 -4.170 1.00 0.00 H new ATOM 0 HB2 LEU A 108 6.917 3.348 -3.924 1.00 0.00 H new ATOM 0 HB3 LEU A 108 6.353 1.707 -4.171 1.00 0.00 H new ATOM 0 HG LEU A 108 7.675 0.926 -2.258 1.00 0.00 H new ATOM 0 HD11 LEU A 108 8.779 2.512 -0.728 1.00 0.00 H new ATOM 0 HD12 LEU A 108 9.539 2.503 -2.337 1.00 0.00 H new ATOM 0 HD13 LEU A 108 8.454 3.835 -1.873 1.00 0.00 H new ATOM 0 HD21 LEU A 108 6.380 2.132 -0.475 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.989 3.413 -1.647 1.00 0.00 H new ATOM 0 HD23 LEU A 108 5.357 1.766 -1.884 1.00 0.00 H new ATOM 1677 N LEU A 109 7.346 2.207 -6.881 1.00 0.00 N ATOM 1678 CA LEU A 109 6.930 1.757 -8.199 1.00 0.00 C ATOM 1679 C LEU A 109 8.143 1.477 -9.070 1.00 0.00 C ATOM 1680 O LEU A 109 8.266 0.363 -9.564 1.00 0.00 O ATOM 1681 CB LEU A 109 5.974 2.781 -8.811 1.00 0.00 C ATOM 1682 CG LEU A 109 4.633 2.751 -8.069 1.00 0.00 C ATOM 1683 CD1 LEU A 109 3.767 3.913 -8.539 1.00 0.00 C ATOM 1684 CD2 LEU A 109 3.873 1.454 -8.344 1.00 0.00 C ATOM 0 H LEU A 109 7.095 3.173 -6.670 1.00 0.00 H new ATOM 0 HA LEU A 109 6.386 0.816 -8.120 1.00 0.00 H new ATOM 0 HB2 LEU A 109 6.410 3.778 -8.753 1.00 0.00 H new ATOM 0 HB3 LEU A 109 5.820 2.562 -9.868 1.00 0.00 H new ATOM 0 HG LEU A 109 4.843 2.824 -7.002 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.813 3.892 -8.012 1.00 0.00 H new ATOM 0 HD12 LEU A 109 4.276 4.854 -8.331 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.591 3.825 -9.611 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.927 1.465 -7.803 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.679 1.366 -9.413 1.00 0.00 H new ATOM 0 HD23 LEU A 109 4.471 0.605 -8.013 1.00 0.00 H new ATOM 1696 N SER A 110 9.037 2.446 -9.273 1.00 0.00 N ATOM 1697 CA SER A 110 10.139 2.239 -10.209 1.00 0.00 C ATOM 1698 C SER A 110 10.938 0.976 -9.891 1.00 0.00 C ATOM 1699 O SER A 110 11.318 0.260 -10.818 1.00 0.00 O ATOM 1700 CB SER A 110 11.044 3.471 -10.267 1.00 0.00 C ATOM 1701 OG SER A 110 11.598 3.740 -9.001 1.00 0.00 O ATOM 0 H SER A 110 9.022 3.357 -8.815 1.00 0.00 H new ATOM 0 HA SER A 110 9.701 2.092 -11.196 1.00 0.00 H new ATOM 0 HB2 SER A 110 11.842 3.309 -10.992 1.00 0.00 H new ATOM 0 HB3 SER A 110 10.472 4.333 -10.610 1.00 0.00 H new ATOM 0 HG SER A 110 11.099 4.467 -8.573 1.00 0.00 H new ATOM 1707 N ASP A 111 11.208 0.671 -8.615 1.00 0.00 N ATOM 1708 CA ASP A 111 11.901 -0.570 -8.302 1.00 0.00 C ATOM 1709 C ASP A 111 10.986 -1.762 -8.541 1.00 0.00 C ATOM 1710 O ASP A 111 11.397 -2.735 -9.163 1.00 0.00 O ATOM 1711 CB ASP A 111 12.387 -0.590 -6.852 1.00 0.00 C ATOM 1712 CG ASP A 111 13.512 0.411 -6.580 1.00 0.00 C ATOM 1713 OD1 ASP A 111 14.198 0.805 -7.551 1.00 0.00 O ATOM 1714 OD2 ASP A 111 13.678 0.776 -5.396 1.00 0.00 O ATOM 0 H ASP A 111 10.964 1.250 -7.811 1.00 0.00 H new ATOM 0 HA ASP A 111 12.768 -0.634 -8.959 1.00 0.00 H new ATOM 0 HB2 ASP A 111 11.548 -0.372 -6.191 1.00 0.00 H new ATOM 0 HB3 ASP A 111 12.735 -1.593 -6.606 1.00 0.00 H new ATOM 1719 N ALA A 112 9.744 -1.696 -8.051 1.00 0.00 N ATOM 1720 CA ALA A 112 8.800 -2.791 -8.175 1.00 0.00 C ATOM 1721 C ALA A 112 8.573 -3.184 -9.630 1.00 0.00 C ATOM 1722 O ALA A 112 8.440 -4.372 -9.911 1.00 0.00 O ATOM 1723 CB ALA A 112 7.467 -2.390 -7.557 1.00 0.00 C ATOM 0 H ALA A 112 9.374 -0.882 -7.561 1.00 0.00 H new ATOM 0 HA ALA A 112 9.222 -3.649 -7.652 1.00 0.00 H new ATOM 0 HB1 ALA A 112 6.760 -3.214 -7.651 1.00 0.00 H new ATOM 0 HB2 ALA A 112 7.611 -2.154 -6.503 1.00 0.00 H new ATOM 0 HB3 ALA A 112 7.075 -1.514 -8.074 1.00 0.00 H new ATOM 1729 N ILE A 113 8.527 -2.226 -10.562 1.00 0.00 N ATOM 1730 CA ILE A 113 8.376 -2.585 -11.962 1.00 0.00 C ATOM 1731 C ILE A 113 9.709 -2.958 -12.601 1.00 0.00 C ATOM 1732 O ILE A 113 9.745 -3.826 -13.470 1.00 0.00 O ATOM 1733 CB ILE A 113 7.688 -1.490 -12.788 1.00 0.00 C ATOM 1734 CG1 ILE A 113 6.930 -0.470 -11.929 1.00 0.00 C ATOM 1735 CG2 ILE A 113 6.787 -2.218 -13.775 1.00 0.00 C ATOM 1736 CD1 ILE A 113 5.727 0.199 -12.575 1.00 0.00 C ATOM 0 H ILE A 113 8.591 -1.226 -10.374 1.00 0.00 H new ATOM 0 HA ILE A 113 7.728 -3.461 -11.969 1.00 0.00 H new ATOM 0 HB ILE A 113 8.426 -0.880 -13.309 1.00 0.00 H new ATOM 0 HG12 ILE A 113 6.595 -0.971 -11.021 1.00 0.00 H new ATOM 0 HG13 ILE A 113 7.631 0.308 -11.625 1.00 0.00 H new ATOM 0 HG21 ILE A 113 6.265 -1.490 -14.397 1.00 0.00 H new ATOM 0 HG22 ILE A 113 7.391 -2.869 -14.407 1.00 0.00 H new ATOM 0 HG23 ILE A 113 6.058 -2.817 -13.229 1.00 0.00 H new ATOM 0 HD11 ILE A 113 5.277 0.897 -11.870 1.00 0.00 H new ATOM 0 HD12 ILE A 113 6.046 0.739 -13.466 1.00 0.00 H new ATOM 0 HD13 ILE A 113 4.995 -0.559 -12.853 1.00 0.00 H new ATOM 1748 N ALA A 114 10.813 -2.326 -12.193 1.00 0.00 N ATOM 1749 CA ALA A 114 12.096 -2.655 -12.791 1.00 0.00 C ATOM 1750 C ALA A 114 12.531 -4.071 -12.412 1.00 0.00 C ATOM 1751 O ALA A 114 13.253 -4.722 -13.166 1.00 0.00 O ATOM 1752 CB ALA A 114 13.142 -1.632 -12.354 1.00 0.00 C ATOM 0 H ALA A 114 10.840 -1.605 -11.472 1.00 0.00 H new ATOM 0 HA ALA A 114 11.997 -2.621 -13.876 1.00 0.00 H new ATOM 0 HB1 ALA A 114 14.104 -1.880 -12.803 1.00 0.00 H new ATOM 0 HB2 ALA A 114 12.836 -0.637 -12.678 1.00 0.00 H new ATOM 0 HB3 ALA A 114 13.234 -1.647 -11.268 1.00 0.00 H new ATOM 1758 N LYS A 115 12.090 -4.552 -11.243 1.00 0.00 N ATOM 1759 CA LYS A 115 12.373 -5.902 -10.771 1.00 0.00 C ATOM 1760 C LYS A 115 11.359 -6.906 -11.333 1.00 0.00 C ATOM 1761 O LYS A 115 11.580 -8.113 -11.273 1.00 0.00 O ATOM 1762 CB LYS A 115 12.470 -5.880 -9.232 1.00 0.00 C ATOM 1763 CG LYS A 115 11.548 -6.853 -8.481 1.00 0.00 C ATOM 1764 CD LYS A 115 10.097 -6.375 -8.524 1.00 0.00 C ATOM 1765 CE LYS A 115 9.136 -7.416 -7.959 1.00 0.00 C ATOM 1766 NZ LYS A 115 7.736 -6.966 -8.083 1.00 0.00 N ATOM 0 H LYS A 115 11.522 -4.005 -10.596 1.00 0.00 H new ATOM 0 HA LYS A 115 13.336 -6.249 -11.145 1.00 0.00 H new ATOM 0 HB2 LYS A 115 13.500 -6.098 -8.950 1.00 0.00 H new ATOM 0 HB3 LYS A 115 12.253 -4.868 -8.889 1.00 0.00 H new ATOM 0 HG2 LYS A 115 11.621 -7.846 -8.926 1.00 0.00 H new ATOM 0 HG3 LYS A 115 11.875 -6.943 -7.445 1.00 0.00 H new ATOM 0 HD2 LYS A 115 10.003 -5.449 -7.956 1.00 0.00 H new ATOM 0 HD3 LYS A 115 9.821 -6.147 -9.553 1.00 0.00 H new ATOM 0 HE2 LYS A 115 9.266 -8.361 -8.487 1.00 0.00 H new ATOM 0 HE3 LYS A 115 9.371 -7.602 -6.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 7.357 -6.745 -7.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 7.696 -6.115 -8.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 7.166 -7.720 -8.517 1.00 0.00 H new ATOM 1780 N SER A 116 10.246 -6.408 -11.877 1.00 0.00 N ATOM 1781 CA SER A 116 9.122 -7.240 -12.288 1.00 0.00 C ATOM 1782 C SER A 116 9.365 -8.029 -13.572 1.00 0.00 C ATOM 1783 O SER A 116 10.234 -7.692 -14.378 1.00 0.00 O ATOM 1784 CB SER A 116 7.872 -6.368 -12.457 1.00 0.00 C ATOM 1785 OG SER A 116 7.927 -5.652 -13.669 1.00 0.00 O ATOM 0 H SER A 116 10.102 -5.412 -12.044 1.00 0.00 H new ATOM 0 HA SER A 116 8.986 -7.977 -11.496 1.00 0.00 H new ATOM 0 HB2 SER A 116 6.980 -6.994 -12.438 1.00 0.00 H new ATOM 0 HB3 SER A 116 7.791 -5.673 -11.621 1.00 0.00 H new ATOM 0 HG SER A 116 8.738 -5.102 -13.687 1.00 0.00 H new ATOM 1791 N ASN A 117 8.570 -9.087 -13.741 1.00 0.00 N ATOM 1792 CA ASN A 117 8.467 -9.839 -14.981 1.00 0.00 C ATOM 1793 C ASN A 117 7.253 -9.287 -15.736 1.00 0.00 C ATOM 1794 O ASN A 117 6.536 -8.450 -15.196 1.00 0.00 O ATOM 1795 CB ASN A 117 8.339 -11.328 -14.642 1.00 0.00 C ATOM 1796 CG ASN A 117 8.486 -12.232 -15.861 1.00 0.00 C ATOM 1797 OD1 ASN A 117 8.846 -11.791 -16.948 1.00 0.00 O ATOM 1798 ND2 ASN A 117 8.204 -13.520 -15.683 1.00 0.00 N ATOM 0 H ASN A 117 7.969 -9.448 -13.000 1.00 0.00 H new ATOM 0 HA ASN A 117 9.347 -9.736 -15.616 1.00 0.00 H new ATOM 0 HB2 ASN A 117 9.098 -11.594 -13.906 1.00 0.00 H new ATOM 0 HB3 ASN A 117 7.369 -11.507 -14.179 1.00 0.00 H new ATOM 0 HD21 ASN A 117 8.285 -14.172 -16.463 1.00 0.00 H new ATOM 0 HD22 ASN A 117 7.907 -13.855 -14.766 1.00 0.00 H new ATOM 1805 N GLN A 118 6.996 -9.729 -16.969 1.00 0.00 N ATOM 1806 CA GLN A 118 5.901 -9.186 -17.764 1.00 0.00 C ATOM 1807 C GLN A 118 4.565 -9.288 -17.023 1.00 0.00 C ATOM 1808 O GLN A 118 3.781 -8.342 -17.024 1.00 0.00 O ATOM 1809 CB GLN A 118 5.845 -9.938 -19.097 1.00 0.00 C ATOM 1810 CG GLN A 118 4.776 -9.340 -20.014 1.00 0.00 C ATOM 1811 CD GLN A 118 4.723 -10.044 -21.365 1.00 0.00 C ATOM 1812 OE1 GLN A 118 5.490 -10.961 -21.642 1.00 0.00 O ATOM 1813 NE2 GLN A 118 3.804 -9.613 -22.226 1.00 0.00 N ATOM 0 H GLN A 118 7.533 -10.461 -17.435 1.00 0.00 H new ATOM 0 HA GLN A 118 6.081 -8.126 -17.945 1.00 0.00 H new ATOM 0 HB2 GLN A 118 6.818 -9.892 -19.587 1.00 0.00 H new ATOM 0 HB3 GLN A 118 5.628 -10.991 -18.917 1.00 0.00 H new ATOM 0 HG2 GLN A 118 3.802 -9.411 -19.530 1.00 0.00 H new ATOM 0 HG3 GLN A 118 4.980 -8.280 -20.165 1.00 0.00 H new ATOM 0 HE21 GLN A 118 3.181 -8.848 -21.966 1.00 0.00 H new ATOM 0 HE22 GLN A 118 3.723 -10.047 -23.145 1.00 0.00 H new ATOM 1822 N ASP A 119 4.292 -10.429 -16.385 1.00 0.00 N ATOM 1823 CA ASP A 119 3.041 -10.607 -15.658 1.00 0.00 C ATOM 1824 C ASP A 119 2.980 -9.664 -14.458 1.00 0.00 C ATOM 1825 O ASP A 119 1.933 -9.084 -14.175 1.00 0.00 O ATOM 1826 CB ASP A 119 2.930 -12.064 -15.212 1.00 0.00 C ATOM 1827 CG ASP A 119 1.618 -12.324 -14.475 1.00 0.00 C ATOM 1828 OD1 ASP A 119 0.562 -12.282 -15.143 1.00 0.00 O ATOM 1829 OD2 ASP A 119 1.686 -12.561 -13.248 1.00 0.00 O ATOM 0 H ASP A 119 4.917 -11.235 -16.359 1.00 0.00 H new ATOM 0 HA ASP A 119 2.201 -10.366 -16.310 1.00 0.00 H new ATOM 0 HB2 ASP A 119 2.996 -12.718 -16.081 1.00 0.00 H new ATOM 0 HB3 ASP A 119 3.769 -12.312 -14.562 1.00 0.00 H new ATOM 1834 N HIS A 120 4.099 -9.505 -13.752 1.00 0.00 N ATOM 1835 CA HIS A 120 4.146 -8.648 -12.579 1.00 0.00 C ATOM 1836 C HIS A 120 4.031 -7.178 -12.971 1.00 0.00 C ATOM 1837 O HIS A 120 3.370 -6.418 -12.270 1.00 0.00 O ATOM 1838 CB HIS A 120 5.424 -8.931 -11.802 1.00 0.00 C ATOM 1839 CG HIS A 120 5.474 -10.318 -11.219 1.00 0.00 C ATOM 1840 ND1 HIS A 120 6.436 -11.283 -11.524 1.00 0.00 N ATOM 1841 CD2 HIS A 120 4.587 -10.831 -10.315 1.00 0.00 C ATOM 1842 CE1 HIS A 120 6.106 -12.357 -10.787 1.00 0.00 C ATOM 1843 NE2 HIS A 120 5.006 -12.114 -10.051 1.00 0.00 N ATOM 0 H HIS A 120 4.983 -9.961 -13.976 1.00 0.00 H new ATOM 0 HA HIS A 120 3.294 -8.867 -11.935 1.00 0.00 H new ATOM 0 HB2 HIS A 120 6.280 -8.791 -12.462 1.00 0.00 H new ATOM 0 HB3 HIS A 120 5.520 -8.203 -10.997 1.00 0.00 H new ATOM 0 HD2 HIS A 120 3.729 -10.329 -9.893 1.00 0.00 H new ATOM 0 HE1 HIS A 120 6.650 -13.290 -10.786 1.00 0.00 H new ATOM 0 HE2 HIS A 120 4.560 -12.768 -9.408 1.00 0.00 H new ATOM 1851 N LYS A 121 4.659 -6.762 -14.080 1.00 0.00 N ATOM 1852 CA LYS A 121 4.489 -5.399 -14.578 1.00 0.00 C ATOM 1853 C LYS A 121 3.026 -5.176 -14.920 1.00 0.00 C ATOM 1854 O LYS A 121 2.501 -4.095 -14.659 1.00 0.00 O ATOM 1855 CB LYS A 121 5.404 -5.121 -15.785 1.00 0.00 C ATOM 1856 CG LYS A 121 4.737 -4.302 -16.909 1.00 0.00 C ATOM 1857 CD LYS A 121 4.066 -5.203 -17.948 1.00 0.00 C ATOM 1858 CE LYS A 121 2.967 -4.459 -18.709 1.00 0.00 C ATOM 1859 NZ LYS A 121 3.513 -3.349 -19.510 1.00 0.00 N ATOM 0 H LYS A 121 5.281 -7.345 -14.640 1.00 0.00 H new ATOM 0 HA LYS A 121 4.783 -4.694 -13.800 1.00 0.00 H new ATOM 0 HB2 LYS A 121 6.290 -4.589 -15.440 1.00 0.00 H new ATOM 0 HB3 LYS A 121 5.743 -6.072 -16.196 1.00 0.00 H new ATOM 0 HG2 LYS A 121 3.995 -3.630 -16.478 1.00 0.00 H new ATOM 0 HG3 LYS A 121 5.486 -3.679 -17.398 1.00 0.00 H new ATOM 0 HD2 LYS A 121 4.814 -5.568 -18.652 1.00 0.00 H new ATOM 0 HD3 LYS A 121 3.640 -6.076 -17.453 1.00 0.00 H new ATOM 0 HE2 LYS A 121 2.442 -5.155 -19.363 1.00 0.00 H new ATOM 0 HE3 LYS A 121 2.234 -4.071 -18.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 2.741 -2.879 -20.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 3.978 -2.663 -18.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 4.207 -3.720 -20.190 1.00 0.00 H new ATOM 1873 N GLU A 122 2.362 -6.179 -15.499 1.00 0.00 N ATOM 1874 CA GLU A 122 0.977 -6.010 -15.886 1.00 0.00 C ATOM 1875 C GLU A 122 0.095 -5.830 -14.655 1.00 0.00 C ATOM 1876 O GLU A 122 -0.844 -5.035 -14.681 1.00 0.00 O ATOM 1877 CB GLU A 122 0.553 -7.204 -16.733 1.00 0.00 C ATOM 1878 CG GLU A 122 -0.876 -6.980 -17.206 1.00 0.00 C ATOM 1879 CD GLU A 122 -1.342 -8.119 -18.110 1.00 0.00 C ATOM 1880 OE1 GLU A 122 -0.985 -8.087 -19.308 1.00 0.00 O ATOM 1881 OE2 GLU A 122 -2.052 -9.012 -17.596 1.00 0.00 O ATOM 0 H GLU A 122 2.759 -7.096 -15.703 1.00 0.00 H new ATOM 0 HA GLU A 122 0.862 -5.107 -16.485 1.00 0.00 H new ATOM 0 HB2 GLU A 122 1.221 -7.318 -17.587 1.00 0.00 H new ATOM 0 HB3 GLU A 122 0.619 -8.123 -16.151 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -1.539 -6.901 -16.345 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -0.940 -6.035 -17.745 1.00 0.00 H new ATOM 1888 N LYS A 123 0.388 -6.560 -13.575 1.00 0.00 N ATOM 1889 CA LYS A 123 -0.343 -6.381 -12.323 1.00 0.00 C ATOM 1890 C LYS A 123 -0.110 -4.984 -11.747 1.00 0.00 C ATOM 1891 O LYS A 123 -1.051 -4.340 -11.278 1.00 0.00 O ATOM 1892 CB LYS A 123 0.091 -7.446 -11.312 1.00 0.00 C ATOM 1893 CG LYS A 123 -0.405 -8.830 -11.734 1.00 0.00 C ATOM 1894 CD LYS A 123 0.132 -9.928 -10.808 1.00 0.00 C ATOM 1895 CE LYS A 123 -0.325 -9.730 -9.359 1.00 0.00 C ATOM 1896 NZ LYS A 123 -1.793 -9.830 -9.236 1.00 0.00 N ATOM 0 H LYS A 123 1.118 -7.272 -13.544 1.00 0.00 H new ATOM 0 HA LYS A 123 -1.408 -6.490 -12.528 1.00 0.00 H new ATOM 0 HB2 LYS A 123 1.178 -7.454 -11.229 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -0.302 -7.199 -10.326 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -1.495 -8.845 -11.724 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -0.093 -9.032 -12.759 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -0.206 -10.901 -11.165 1.00 0.00 H new ATOM 0 HD3 LYS A 123 1.221 -9.935 -10.847 1.00 0.00 H new ATOM 0 HE2 LYS A 123 0.146 -10.479 -8.722 1.00 0.00 H new ATOM 0 HE3 LYS A 123 0.005 -8.754 -9.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -2.175 -8.926 -8.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -2.205 -10.050 -10.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -2.034 -10.585 -8.563 1.00 0.00 H new ATOM 1910 N ILE A 124 1.136 -4.505 -11.777 1.00 0.00 N ATOM 1911 CA ILE A 124 1.450 -3.172 -11.274 1.00 0.00 C ATOM 1912 C ILE A 124 0.795 -2.124 -12.176 1.00 0.00 C ATOM 1913 O ILE A 124 0.358 -1.079 -11.698 1.00 0.00 O ATOM 1914 CB ILE A 124 2.973 -3.003 -11.188 1.00 0.00 C ATOM 1915 CG1 ILE A 124 3.527 -3.980 -10.147 1.00 0.00 C ATOM 1916 CG2 ILE A 124 3.346 -1.575 -10.776 1.00 0.00 C ATOM 1917 CD1 ILE A 124 5.054 -4.041 -10.187 1.00 0.00 C ATOM 0 H ILE A 124 1.937 -5.019 -12.143 1.00 0.00 H new ATOM 0 HA ILE A 124 1.051 -3.036 -10.269 1.00 0.00 H new ATOM 0 HB ILE A 124 3.399 -3.205 -12.171 1.00 0.00 H new ATOM 0 HG12 ILE A 124 3.201 -3.676 -9.152 1.00 0.00 H new ATOM 0 HG13 ILE A 124 3.118 -4.974 -10.327 1.00 0.00 H new ATOM 0 HG21 ILE A 124 4.431 -1.483 -10.723 1.00 0.00 H new ATOM 0 HG22 ILE A 124 2.958 -0.871 -11.512 1.00 0.00 H new ATOM 0 HG23 ILE A 124 2.915 -1.354 -9.800 1.00 0.00 H new ATOM 0 HD11 ILE A 124 5.410 -4.745 -9.434 1.00 0.00 H new ATOM 0 HD12 ILE A 124 5.379 -4.370 -11.174 1.00 0.00 H new ATOM 0 HD13 ILE A 124 5.463 -3.052 -9.981 1.00 0.00 H new ATOM 1929 N ARG A 125 0.720 -2.398 -13.481 1.00 0.00 N ATOM 1930 CA ARG A 125 0.058 -1.518 -14.434 1.00 0.00 C ATOM 1931 C ARG A 125 -1.442 -1.471 -14.163 1.00 0.00 C ATOM 1932 O ARG A 125 -2.055 -0.420 -14.323 1.00 0.00 O ATOM 1933 CB ARG A 125 0.351 -2.007 -15.856 1.00 0.00 C ATOM 1934 CG ARG A 125 -0.282 -1.123 -16.929 1.00 0.00 C ATOM 1935 CD ARG A 125 0.290 0.296 -16.916 1.00 0.00 C ATOM 1936 NE ARG A 125 -0.361 1.138 -17.930 1.00 0.00 N ATOM 1937 CZ ARG A 125 -0.080 1.106 -19.236 1.00 0.00 C ATOM 1938 NH1 ARG A 125 0.863 0.301 -19.718 1.00 0.00 N ATOM 1939 NH2 ARG A 125 -0.748 1.888 -20.077 1.00 0.00 N ATOM 0 H ARG A 125 1.118 -3.238 -13.902 1.00 0.00 H new ATOM 0 HA ARG A 125 0.442 -0.504 -14.325 1.00 0.00 H new ATOM 0 HB2 ARG A 125 1.430 -2.040 -16.009 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -0.018 -3.027 -15.968 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -0.119 -1.570 -17.909 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -1.360 -1.080 -16.774 1.00 0.00 H new ATOM 0 HD2 ARG A 125 0.153 0.738 -15.929 1.00 0.00 H new ATOM 0 HD3 ARG A 125 1.363 0.261 -17.103 1.00 0.00 H new ATOM 0 HE ARG A 125 -1.077 1.792 -17.615 1.00 0.00 H new ATOM 0 HH11 ARG A 125 1.386 -0.306 -19.087 1.00 0.00 H new ATOM 0 HH12 ARG A 125 1.063 0.291 -20.718 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -1.474 2.512 -19.726 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -0.534 1.865 -21.074 1.00 0.00 H new ATOM 1953 N MET A 126 -2.034 -2.599 -13.752 1.00 0.00 N ATOM 1954 CA MET A 126 -3.445 -2.647 -13.396 1.00 0.00 C ATOM 1955 C MET A 126 -3.691 -1.793 -12.157 1.00 0.00 C ATOM 1956 O MET A 126 -4.680 -1.063 -12.094 1.00 0.00 O ATOM 1957 CB MET A 126 -3.856 -4.102 -13.154 1.00 0.00 C ATOM 1958 CG MET A 126 -5.308 -4.208 -12.684 1.00 0.00 C ATOM 1959 SD MET A 126 -5.846 -5.908 -12.369 1.00 0.00 S ATOM 1960 CE MET A 126 -7.473 -5.576 -11.650 1.00 0.00 C ATOM 0 H MET A 126 -1.549 -3.492 -13.660 1.00 0.00 H new ATOM 0 HA MET A 126 -4.050 -2.247 -14.210 1.00 0.00 H new ATOM 0 HB2 MET A 126 -3.728 -4.674 -14.073 1.00 0.00 H new ATOM 0 HB3 MET A 126 -3.198 -4.547 -12.407 1.00 0.00 H new ATOM 0 HG2 MET A 126 -5.430 -3.623 -11.773 1.00 0.00 H new ATOM 0 HG3 MET A 126 -5.958 -3.764 -13.438 1.00 0.00 H new ATOM 0 HE1 MET A 126 -7.956 -6.518 -11.392 1.00 0.00 H new ATOM 0 HE2 MET A 126 -7.357 -4.970 -10.751 1.00 0.00 H new ATOM 0 HE3 MET A 126 -8.088 -5.039 -12.373 1.00 0.00 H new ATOM 1970 N LEU A 127 -2.795 -1.877 -11.170 1.00 0.00 N ATOM 1971 CA LEU A 127 -2.885 -1.058 -9.972 1.00 0.00 C ATOM 1972 C LEU A 127 -2.875 0.424 -10.357 1.00 0.00 C ATOM 1973 O LEU A 127 -3.726 1.191 -9.911 1.00 0.00 O ATOM 1974 CB LEU A 127 -1.726 -1.450 -9.049 1.00 0.00 C ATOM 1975 CG LEU A 127 -1.716 -0.751 -7.683 1.00 0.00 C ATOM 1976 CD1 LEU A 127 -0.802 -1.545 -6.750 1.00 0.00 C ATOM 1977 CD2 LEU A 127 -1.152 0.669 -7.768 1.00 0.00 C ATOM 0 H LEU A 127 -1.996 -2.511 -11.184 1.00 0.00 H new ATOM 0 HA LEU A 127 -3.819 -1.227 -9.436 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -1.759 -2.528 -8.888 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -0.787 -1.232 -9.558 1.00 0.00 H new ATOM 0 HG LEU A 127 -2.744 -0.701 -7.324 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -0.778 -1.067 -5.771 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -1.181 -2.562 -6.648 1.00 0.00 H new ATOM 0 HD13 LEU A 127 0.206 -1.573 -7.165 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -1.164 1.125 -6.778 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -0.127 0.632 -8.138 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -1.762 1.263 -8.449 1.00 0.00 H new ATOM 1989 N LEU A 128 -1.911 0.833 -11.189 1.00 0.00 N ATOM 1990 CA LEU A 128 -1.812 2.221 -11.613 1.00 0.00 C ATOM 1991 C LEU A 128 -2.982 2.623 -12.510 1.00 0.00 C ATOM 1992 O LEU A 128 -3.379 3.788 -12.505 1.00 0.00 O ATOM 1993 CB LEU A 128 -0.482 2.438 -12.341 1.00 0.00 C ATOM 1994 CG LEU A 128 0.715 2.220 -11.415 1.00 0.00 C ATOM 1995 CD1 LEU A 128 2.006 2.409 -12.207 1.00 0.00 C ATOM 1996 CD2 LEU A 128 0.706 3.216 -10.259 1.00 0.00 C ATOM 0 H LEU A 128 -1.194 0.220 -11.577 1.00 0.00 H new ATOM 0 HA LEU A 128 -1.852 2.853 -10.726 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -0.416 1.755 -13.188 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -0.450 3.450 -12.745 1.00 0.00 H new ATOM 0 HG LEU A 128 0.652 1.209 -11.012 1.00 0.00 H new ATOM 0 HD11 LEU A 128 2.862 2.254 -11.550 1.00 0.00 H new ATOM 0 HD12 LEU A 128 2.041 1.688 -13.024 1.00 0.00 H new ATOM 0 HD13 LEU A 128 2.039 3.420 -12.614 1.00 0.00 H new ATOM 0 HD21 LEU A 128 1.569 3.037 -9.617 1.00 0.00 H new ATOM 0 HD22 LEU A 128 0.752 4.231 -10.653 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -0.209 3.093 -9.679 1.00 0.00 H new ATOM 2008 N ASP A 129 -3.539 1.684 -13.276 1.00 0.00 N ATOM 2009 CA ASP A 129 -4.688 1.976 -14.118 1.00 0.00 C ATOM 2010 C ASP A 129 -5.907 2.284 -13.252 1.00 0.00 C ATOM 2011 O ASP A 129 -6.701 3.159 -13.588 1.00 0.00 O ATOM 2012 CB ASP A 129 -4.950 0.790 -15.049 1.00 0.00 C ATOM 2013 CG ASP A 129 -6.113 1.065 -15.999 1.00 0.00 C ATOM 2014 OD1 ASP A 129 -5.940 1.923 -16.893 1.00 0.00 O ATOM 2015 OD2 ASP A 129 -7.168 0.414 -15.825 1.00 0.00 O ATOM 0 H ASP A 129 -3.211 0.720 -13.327 1.00 0.00 H new ATOM 0 HA ASP A 129 -4.484 2.855 -14.729 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -4.051 0.575 -15.627 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -5.167 -0.098 -14.455 1.00 0.00 H new ATOM 2512 N PRO B 160 -6.953 -14.892 2.259 1.00 0.00 N ATOM 2513 CA PRO B 160 -7.930 -14.960 1.181 1.00 0.00 C ATOM 2514 C PRO B 160 -7.454 -14.110 0.008 1.00 0.00 C ATOM 2515 O PRO B 160 -6.351 -13.567 0.034 1.00 0.00 O ATOM 2516 CB PRO B 160 -9.210 -14.372 1.784 1.00 0.00 C ATOM 2517 CG PRO B 160 -8.671 -13.348 2.782 1.00 0.00 C ATOM 2518 CD PRO B 160 -7.467 -14.086 3.348 1.00 0.00 C ATOM 0 HA PRO B 160 -8.081 -15.973 0.807 1.00 0.00 H new ATOM 0 HB2 PRO B 160 -9.838 -13.906 1.025 1.00 0.00 H new ATOM 0 HB3 PRO B 160 -9.815 -15.135 2.274 1.00 0.00 H new ATOM 0 HG2 PRO B 160 -8.389 -12.412 2.299 1.00 0.00 H new ATOM 0 HG3 PRO B 160 -9.401 -13.102 3.553 1.00 0.00 H new ATOM 0 HD2 PRO B 160 -6.712 -13.386 3.707 1.00 0.00 H new ATOM 0 HD3 PRO B 160 -7.753 -14.709 4.195 1.00 0.00 H new ATOM 2526 N SER B 161 -8.286 -13.988 -1.031 1.00 0.00 N ATOM 2527 CA SER B 161 -7.966 -13.152 -2.177 1.00 0.00 C ATOM 2528 C SER B 161 -8.080 -11.670 -1.826 1.00 0.00 C ATOM 2529 O SER B 161 -8.780 -11.299 -0.879 1.00 0.00 O ATOM 2530 CB SER B 161 -8.876 -13.512 -3.347 1.00 0.00 C ATOM 2531 OG SER B 161 -10.235 -13.369 -2.978 1.00 0.00 O ATOM 0 H SER B 161 -9.187 -14.462 -1.096 1.00 0.00 H new ATOM 0 HA SER B 161 -6.932 -13.337 -2.468 1.00 0.00 H new ATOM 0 HB2 SER B 161 -8.655 -12.869 -4.199 1.00 0.00 H new ATOM 0 HB3 SER B 161 -8.684 -14.538 -3.663 1.00 0.00 H new ATOM 0 HG SER B 161 -10.807 -13.602 -3.739 1.00 0.00 H new ATOM 2537 N TYR B 162 -7.390 -10.821 -2.590 1.00 0.00 N ATOM 2538 CA TYR B 162 -7.420 -9.380 -2.410 1.00 0.00 C ATOM 2539 C TYR B 162 -7.343 -8.688 -3.769 1.00 0.00 C ATOM 2540 O TYR B 162 -6.466 -9.000 -4.577 1.00 0.00 O ATOM 2541 CB TYR B 162 -6.250 -8.936 -1.531 1.00 0.00 C ATOM 2542 CG TYR B 162 -5.955 -7.457 -1.664 1.00 0.00 C ATOM 2543 CD1 TYR B 162 -5.167 -7.010 -2.737 1.00 0.00 C ATOM 2544 CD2 TYR B 162 -6.464 -6.536 -0.735 1.00 0.00 C ATOM 2545 CE1 TYR B 162 -4.904 -5.645 -2.904 1.00 0.00 C ATOM 2546 CE2 TYR B 162 -6.197 -5.166 -0.893 1.00 0.00 C ATOM 2547 CZ TYR B 162 -5.421 -4.718 -1.982 1.00 0.00 C ATOM 2548 OH TYR B 162 -5.170 -3.391 -2.147 1.00 0.00 O ATOM 0 H TYR B 162 -6.790 -11.124 -3.357 1.00 0.00 H new ATOM 0 HA TYR B 162 -8.353 -9.103 -1.920 1.00 0.00 H new ATOM 0 HB2 TYR B 162 -6.474 -9.166 -0.489 1.00 0.00 H new ATOM 0 HB3 TYR B 162 -5.361 -9.506 -1.800 1.00 0.00 H new ATOM 0 HD1 TYR B 162 -4.761 -7.724 -3.438 1.00 0.00 H new ATOM 0 HD2 TYR B 162 -7.059 -6.880 0.098 1.00 0.00 H new ATOM 0 HE1 TYR B 162 -4.307 -5.306 -3.737 1.00 0.00 H new ATOM 0 HE2 TYR B 162 -6.586 -4.455 -0.180 1.00 0.00 H new ATOM 0 HH TYR B 162 -4.807 -3.236 -3.044 1.00 0.00 H new ATOM 2558 N SER B 163 -8.266 -7.749 -4.010 1.00 0.00 N ATOM 2559 CA SER B 163 -8.361 -7.033 -5.272 1.00 0.00 C ATOM 2560 C SER B 163 -8.327 -5.522 -5.062 1.00 0.00 C ATOM 2561 O SER B 163 -8.956 -5.004 -4.138 1.00 0.00 O ATOM 2562 CB SER B 163 -9.654 -7.416 -5.988 1.00 0.00 C ATOM 2563 OG SER B 163 -9.820 -6.584 -7.116 1.00 0.00 O ATOM 0 H SER B 163 -8.969 -7.469 -3.326 1.00 0.00 H new ATOM 0 HA SER B 163 -7.501 -7.313 -5.880 1.00 0.00 H new ATOM 0 HB2 SER B 163 -9.619 -8.462 -6.294 1.00 0.00 H new ATOM 0 HB3 SER B 163 -10.503 -7.309 -5.313 1.00 0.00 H new ATOM 0 HG SER B 163 -10.702 -6.158 -7.082 1.00 0.00 H new ATOM 2569 N PRO B 164 -7.590 -4.805 -5.921 1.00 0.00 N ATOM 2570 CA PRO B 164 -7.466 -3.359 -5.860 1.00 0.00 C ATOM 2571 C PRO B 164 -8.787 -2.670 -6.202 1.00 0.00 C ATOM 2572 O PRO B 164 -8.870 -1.441 -6.169 1.00 0.00 O ATOM 2573 CB PRO B 164 -6.368 -3.014 -6.871 1.00 0.00 C ATOM 2574 CG PRO B 164 -6.463 -4.144 -7.892 1.00 0.00 C ATOM 2575 CD PRO B 164 -6.816 -5.346 -7.025 1.00 0.00 C ATOM 0 HA PRO B 164 -7.214 -3.013 -4.858 1.00 0.00 H new ATOM 0 HB2 PRO B 164 -6.537 -2.041 -7.332 1.00 0.00 H new ATOM 0 HB3 PRO B 164 -5.385 -2.978 -6.401 1.00 0.00 H new ATOM 0 HG2 PRO B 164 -7.228 -3.948 -8.644 1.00 0.00 H new ATOM 0 HG3 PRO B 164 -5.523 -4.290 -8.424 1.00 0.00 H new ATOM 0 HD2 PRO B 164 -7.392 -6.081 -7.587 1.00 0.00 H new ATOM 0 HD3 PRO B 164 -5.919 -5.850 -6.667 1.00 0.00 H new ATOM 2583 N THR B 165 -9.830 -3.440 -6.531 1.00 0.00 N ATOM 2584 CA THR B 165 -11.116 -2.858 -6.876 1.00 0.00 C ATOM 2585 C THR B 165 -11.876 -2.369 -5.644 1.00 0.00 C ATOM 2586 O THR B 165 -12.859 -1.645 -5.805 1.00 0.00 O ATOM 2587 CB THR B 165 -11.962 -3.860 -7.670 1.00 0.00 C ATOM 2588 OG1 THR B 165 -12.118 -5.060 -6.943 1.00 0.00 O ATOM 2589 CG2 THR B 165 -11.290 -4.170 -9.006 1.00 0.00 C ATOM 0 H THR B 165 -9.802 -4.459 -6.563 1.00 0.00 H new ATOM 0 HA THR B 165 -10.921 -1.986 -7.500 1.00 0.00 H new ATOM 0 HB THR B 165 -12.942 -3.416 -7.846 1.00 0.00 H new ATOM 0 HG1 THR B 165 -12.662 -5.689 -7.462 1.00 0.00 H new ATOM 0 HG21 THR B 165 -11.899 -4.883 -9.563 1.00 0.00 H new ATOM 0 HG22 THR B 165 -11.188 -3.251 -9.584 1.00 0.00 H new ATOM 0 HG23 THR B 165 -10.304 -4.598 -8.827 1.00 0.00 H new