USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 652 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 10 TYR OH : rot -106:sc= 0.0295 USER MOD Set 1.2: A 14 GLN : amide:sc= -0.544 K(o=-0.71,f=-1.5) USER MOD Set 1.3: A 45 HIS : no HD1:sc= -0.196 K(o=-0.71,f=0.18) USER MOD Set 2.1: A 44 TYR OH : rot 83:sc= 0.839 USER MOD Set 2.2: A 48 LYS NZ :NH3+ -132:sc= 1.87 (180deg=-0.167) USER MOD Set 3.1: A 16 HIS : no HD1:sc= -0.138 X(o=-0.31,f=-0.71) USER MOD Set 3.2: A 21 ASN : amide:sc= -0.171 X(o=-0.31,f=-0.14) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 178:sc= 0.574 (180deg=0.571) USER MOD Single : A 19 HIS : no HD1:sc= -0.778 K(o=-0.78,f=0.23) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -78:sc= 1.15 USER MOD Single : A 39 TYR OH : rot -31:sc= 0.57 USER MOD Single : A 42 THR OG1 : rot 77:sc= -0.0234! USER MOD Single : A 43 TYR OH : rot 165:sc= -0.631 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 73:sc= 0.975 USER MOD Single : A 63 TYR OH : rot -160:sc= 0.131 USER MOD Single : A 65 GLN : amide:sc= -0.608 K(o=-0.61,f=0) USER MOD Single : A 75 THR OG1 : rot -49:sc= 0.179 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 75:sc= 0.869 USER MOD Single : A 83 GLN : amide:sc= -2.42! K(o=-2.4!,f=-0.25) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -144:sc= 0.0629 (180deg=-1.07) USER MOD ----------------------------------------------------------------- ATOM 71 N PRO A 6 -10.921 0.662 9.190 1.00 0.00 N ATOM 72 CA PRO A 6 -9.765 0.869 8.283 1.00 0.00 C ATOM 73 C PRO A 6 -8.395 0.827 8.997 1.00 0.00 C ATOM 74 O PRO A 6 -7.538 0.021 8.625 1.00 0.00 O ATOM 75 CB PRO A 6 -10.043 2.259 7.625 1.00 0.00 C ATOM 76 CG PRO A 6 -11.176 2.846 8.417 1.00 0.00 C ATOM 77 CD PRO A 6 -11.971 1.675 8.918 1.00 0.00 C ATOM 0 HA PRO A 6 -9.686 0.062 7.555 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -9.161 2.898 7.665 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -10.311 2.151 6.574 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -10.804 3.449 9.245 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -11.790 3.499 7.797 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -12.536 1.924 9.816 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -12.689 1.325 8.176 1.00 0.00 H new ATOM 85 N PHE A 7 -8.214 1.677 10.028 1.00 0.00 N ATOM 86 CA PHE A 7 -6.955 1.742 10.803 1.00 0.00 C ATOM 87 C PHE A 7 -6.627 0.401 11.493 1.00 0.00 C ATOM 88 O PHE A 7 -5.462 -0.005 11.531 1.00 0.00 O ATOM 89 CB PHE A 7 -7.019 2.887 11.850 1.00 0.00 C ATOM 90 CG PHE A 7 -5.801 2.961 12.785 1.00 0.00 C ATOM 91 CD1 PHE A 7 -4.526 3.218 12.278 1.00 0.00 C ATOM 92 CD2 PHE A 7 -5.929 2.757 14.161 1.00 0.00 C ATOM 93 CE1 PHE A 7 -3.426 3.264 13.112 1.00 0.00 C ATOM 94 CE2 PHE A 7 -4.826 2.808 14.990 1.00 0.00 C ATOM 95 CZ PHE A 7 -3.576 3.062 14.467 1.00 0.00 C ATOM 0 H PHE A 7 -8.928 2.332 10.346 1.00 0.00 H new ATOM 0 HA PHE A 7 -6.152 1.949 10.096 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -7.117 3.837 11.326 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -7.918 2.761 12.453 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.398 3.383 11.218 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -6.903 2.557 14.582 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.446 3.459 12.701 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -4.943 2.648 16.052 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.715 3.103 15.118 1.00 0.00 H new ATOM 105 N THR A 8 -7.661 -0.273 12.027 1.00 0.00 N ATOM 106 CA THR A 8 -7.482 -1.512 12.805 1.00 0.00 C ATOM 107 C THR A 8 -6.970 -2.662 11.909 1.00 0.00 C ATOM 108 O THR A 8 -6.003 -3.336 12.266 1.00 0.00 O ATOM 109 CB THR A 8 -8.804 -1.935 13.530 1.00 0.00 C ATOM 110 OG1 THR A 8 -9.271 -0.844 14.338 1.00 0.00 O ATOM 111 CG2 THR A 8 -8.623 -3.184 14.423 1.00 0.00 C ATOM 0 H THR A 8 -8.633 0.021 11.933 1.00 0.00 H new ATOM 0 HA THR A 8 -6.731 -1.306 13.568 1.00 0.00 H new ATOM 0 HB THR A 8 -9.530 -2.188 12.757 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.099 -1.104 14.792 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.571 -3.431 14.900 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.295 -4.024 13.811 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.875 -2.979 15.188 1.00 0.00 H new ATOM 119 N ARG A 9 -7.613 -2.851 10.735 1.00 0.00 N ATOM 120 CA ARG A 9 -7.256 -3.929 9.778 1.00 0.00 C ATOM 121 C ARG A 9 -5.949 -3.600 9.033 1.00 0.00 C ATOM 122 O ARG A 9 -5.245 -4.503 8.587 1.00 0.00 O ATOM 123 CB ARG A 9 -8.420 -4.207 8.789 1.00 0.00 C ATOM 124 CG ARG A 9 -8.770 -3.063 7.821 1.00 0.00 C ATOM 125 CD ARG A 9 -10.116 -3.282 7.092 1.00 0.00 C ATOM 126 NE ARG A 9 -10.150 -4.556 6.333 1.00 0.00 N ATOM 127 CZ ARG A 9 -11.153 -5.463 6.375 1.00 0.00 C ATOM 128 NH1 ARG A 9 -12.190 -5.286 7.177 1.00 0.00 N ATOM 129 NH2 ARG A 9 -11.086 -6.563 5.631 1.00 0.00 N ATOM 0 H ARG A 9 -8.389 -2.267 10.423 1.00 0.00 H new ATOM 0 HA ARG A 9 -7.086 -4.841 10.350 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.168 -5.090 8.201 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -9.311 -4.453 9.367 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -8.811 -2.125 8.375 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.975 -2.963 7.082 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.926 -3.276 7.822 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -10.295 -2.451 6.409 1.00 0.00 H new ATOM 0 HE ARG A 9 -9.353 -4.765 5.731 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -12.239 -4.459 7.772 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -12.940 -5.976 7.200 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -10.278 -6.723 5.029 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.842 -7.247 5.663 1.00 0.00 H new ATOM 143 N TYR A 10 -5.658 -2.296 8.895 1.00 0.00 N ATOM 144 CA TYR A 10 -4.382 -1.795 8.341 1.00 0.00 C ATOM 145 C TYR A 10 -3.210 -2.204 9.245 1.00 0.00 C ATOM 146 O TYR A 10 -2.229 -2.800 8.788 1.00 0.00 O ATOM 147 CB TYR A 10 -4.445 -0.253 8.199 1.00 0.00 C ATOM 148 CG TYR A 10 -3.130 0.417 7.783 1.00 0.00 C ATOM 149 CD1 TYR A 10 -2.612 0.257 6.498 1.00 0.00 C ATOM 150 CD2 TYR A 10 -2.411 1.219 8.674 1.00 0.00 C ATOM 151 CE1 TYR A 10 -1.432 0.869 6.121 1.00 0.00 C ATOM 152 CE2 TYR A 10 -1.239 1.829 8.297 1.00 0.00 C ATOM 153 CZ TYR A 10 -0.753 1.653 7.024 1.00 0.00 C ATOM 154 OH TYR A 10 0.425 2.264 6.659 1.00 0.00 O ATOM 0 H TYR A 10 -6.303 -1.553 9.165 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.223 -2.235 7.357 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.210 -0.002 7.465 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.765 0.171 9.151 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.143 -0.356 5.785 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -2.784 1.362 9.678 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.045 0.732 5.122 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.700 2.446 9.001 1.00 0.00 H new ATOM 0 HH TYR A 10 1.179 1.798 7.077 1.00 0.00 H new ATOM 164 N ALA A 11 -3.354 -1.864 10.534 1.00 0.00 N ATOM 165 CA ALA A 11 -2.376 -2.183 11.578 1.00 0.00 C ATOM 166 C ALA A 11 -2.239 -3.706 11.737 1.00 0.00 C ATOM 167 O ALA A 11 -1.134 -4.215 11.918 1.00 0.00 O ATOM 168 CB ALA A 11 -2.804 -1.526 12.905 1.00 0.00 C ATOM 0 H ALA A 11 -4.165 -1.353 10.883 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.401 -1.788 11.291 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.076 -1.764 13.680 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.856 -0.445 12.776 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.783 -1.904 13.199 1.00 0.00 H new ATOM 174 N LEU A 12 -3.390 -4.406 11.625 1.00 0.00 N ATOM 175 CA LEU A 12 -3.482 -5.875 11.747 1.00 0.00 C ATOM 176 C LEU A 12 -2.768 -6.557 10.575 1.00 0.00 C ATOM 177 O LEU A 12 -2.182 -7.625 10.738 1.00 0.00 O ATOM 178 CB LEU A 12 -4.970 -6.316 11.804 1.00 0.00 C ATOM 179 CG LEU A 12 -5.244 -7.837 12.041 1.00 0.00 C ATOM 180 CD1 LEU A 12 -4.647 -8.329 13.384 1.00 0.00 C ATOM 181 CD2 LEU A 12 -6.758 -8.147 11.942 1.00 0.00 C ATOM 0 H LEU A 12 -4.290 -3.960 11.445 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.991 -6.178 12.672 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.461 -5.754 12.599 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.447 -6.026 10.867 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.737 -8.390 11.250 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.860 -9.391 13.510 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.568 -8.173 13.381 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.093 -7.770 14.207 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.923 -9.211 12.110 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.297 -7.572 12.695 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.121 -7.876 10.951 1.00 0.00 H new ATOM 193 N ALA A 13 -2.832 -5.916 9.395 1.00 0.00 N ATOM 194 CA ALA A 13 -2.142 -6.379 8.184 1.00 0.00 C ATOM 195 C ALA A 13 -0.624 -6.281 8.366 1.00 0.00 C ATOM 196 O ALA A 13 0.106 -7.229 8.080 1.00 0.00 O ATOM 197 CB ALA A 13 -2.607 -5.573 6.964 1.00 0.00 C ATOM 0 H ALA A 13 -3.367 -5.059 9.257 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.394 -7.425 8.013 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.087 -5.927 6.074 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.681 -5.701 6.832 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.383 -4.517 7.119 1.00 0.00 H new ATOM 203 N GLN A 14 -0.174 -5.135 8.893 1.00 0.00 N ATOM 204 CA GLN A 14 1.244 -4.894 9.215 1.00 0.00 C ATOM 205 C GLN A 14 1.753 -5.902 10.273 1.00 0.00 C ATOM 206 O GLN A 14 2.921 -6.303 10.249 1.00 0.00 O ATOM 207 CB GLN A 14 1.434 -3.437 9.700 1.00 0.00 C ATOM 208 CG GLN A 14 1.058 -2.356 8.659 1.00 0.00 C ATOM 209 CD GLN A 14 1.200 -0.914 9.169 1.00 0.00 C ATOM 210 OE1 GLN A 14 1.531 -0.009 8.413 1.00 0.00 O ATOM 211 NE2 GLN A 14 0.917 -0.673 10.438 1.00 0.00 N ATOM 0 H GLN A 14 -0.782 -4.345 9.110 1.00 0.00 H new ATOM 0 HA GLN A 14 1.836 -5.041 8.312 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.832 -3.285 10.596 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.476 -3.297 9.989 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.687 -2.481 7.778 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.028 -2.517 8.340 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.643 -1.439 11.054 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.973 0.279 10.801 1.00 0.00 H new ATOM 220 N GLU A 15 0.856 -6.299 11.201 1.00 0.00 N ATOM 221 CA GLU A 15 1.146 -7.343 12.202 1.00 0.00 C ATOM 222 C GLU A 15 1.302 -8.704 11.505 1.00 0.00 C ATOM 223 O GLU A 15 2.262 -9.417 11.764 1.00 0.00 O ATOM 224 CB GLU A 15 0.028 -7.414 13.279 1.00 0.00 C ATOM 225 CG GLU A 15 -0.078 -6.174 14.180 1.00 0.00 C ATOM 226 CD GLU A 15 -1.247 -6.230 15.177 1.00 0.00 C ATOM 227 OE1 GLU A 15 -1.096 -6.851 16.254 1.00 0.00 O ATOM 228 OE2 GLU A 15 -2.314 -5.636 14.900 1.00 0.00 O ATOM 0 H GLU A 15 -0.083 -5.907 11.276 1.00 0.00 H new ATOM 0 HA GLU A 15 2.079 -7.087 12.705 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.929 -7.566 12.780 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.202 -8.288 13.907 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.854 -6.058 14.733 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.189 -5.289 13.553 1.00 0.00 H new ATOM 235 N HIS A 16 0.345 -9.038 10.609 1.00 0.00 N ATOM 236 CA HIS A 16 0.327 -10.322 9.858 1.00 0.00 C ATOM 237 C HIS A 16 1.620 -10.531 9.055 1.00 0.00 C ATOM 238 O HIS A 16 2.071 -11.655 8.898 1.00 0.00 O ATOM 239 CB HIS A 16 -0.903 -10.419 8.911 1.00 0.00 C ATOM 240 CG HIS A 16 -2.208 -10.735 9.593 1.00 0.00 C ATOM 241 ND1 HIS A 16 -2.354 -11.779 10.486 1.00 0.00 N ATOM 242 CD2 HIS A 16 -3.428 -10.154 9.505 1.00 0.00 C ATOM 243 CE1 HIS A 16 -3.597 -11.820 10.910 1.00 0.00 C ATOM 244 NE2 HIS A 16 -4.266 -10.849 10.334 1.00 0.00 N ATOM 0 H HIS A 16 -0.439 -8.426 10.384 1.00 0.00 H new ATOM 0 HA HIS A 16 0.252 -11.113 10.604 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -1.008 -9.474 8.379 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -0.706 -11.186 8.162 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -3.690 -9.302 8.895 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -4.000 -12.533 11.614 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -5.254 -10.645 10.481 1.00 0.00 H new ATOM 253 N LEU A 17 2.201 -9.435 8.572 1.00 0.00 N ATOM 254 CA LEU A 17 3.493 -9.457 7.865 1.00 0.00 C ATOM 255 C LEU A 17 4.610 -10.008 8.763 1.00 0.00 C ATOM 256 O LEU A 17 5.396 -10.870 8.343 1.00 0.00 O ATOM 257 CB LEU A 17 3.837 -8.035 7.394 1.00 0.00 C ATOM 258 CG LEU A 17 2.869 -7.453 6.330 1.00 0.00 C ATOM 259 CD1 LEU A 17 3.163 -5.980 6.059 1.00 0.00 C ATOM 260 CD2 LEU A 17 2.906 -8.280 5.027 1.00 0.00 C ATOM 0 H LEU A 17 1.795 -8.503 8.656 1.00 0.00 H new ATOM 0 HA LEU A 17 3.409 -10.118 7.002 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.845 -7.372 8.259 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.847 -8.037 6.984 1.00 0.00 H new ATOM 0 HG LEU A 17 1.859 -7.518 6.734 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.468 -5.602 5.309 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.047 -5.410 6.981 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.184 -5.874 5.693 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.217 -7.847 4.302 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.917 -8.270 4.619 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.610 -9.307 5.240 1.00 0.00 H new ATOM 272 N LYS A 18 4.635 -9.524 10.016 1.00 0.00 N ATOM 273 CA LYS A 18 5.615 -9.953 11.026 1.00 0.00 C ATOM 274 C LYS A 18 5.329 -11.405 11.461 1.00 0.00 C ATOM 275 O LYS A 18 6.250 -12.178 11.732 1.00 0.00 O ATOM 276 CB LYS A 18 5.573 -9.003 12.253 1.00 0.00 C ATOM 277 CG LYS A 18 5.666 -7.501 11.901 1.00 0.00 C ATOM 278 CD LYS A 18 5.745 -6.594 13.151 1.00 0.00 C ATOM 279 CE LYS A 18 5.621 -5.095 12.823 1.00 0.00 C ATOM 280 NZ LYS A 18 4.272 -4.744 12.317 1.00 0.00 N ATOM 0 H LYS A 18 3.976 -8.824 10.357 1.00 0.00 H new ATOM 0 HA LYS A 18 6.612 -9.910 10.588 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.648 -9.179 12.802 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.394 -9.258 12.923 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.546 -7.332 11.280 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.797 -7.218 11.307 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.953 -6.874 13.845 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.692 -6.770 13.660 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.836 -4.510 13.717 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.369 -4.824 12.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.223 -3.720 12.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.089 -5.257 11.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.556 -5.009 13.024 1.00 0.00 H new ATOM 294 N HIS A 19 4.025 -11.750 11.504 1.00 0.00 N ATOM 295 CA HIS A 19 3.534 -13.098 11.858 1.00 0.00 C ATOM 296 C HIS A 19 3.472 -14.037 10.629 1.00 0.00 C ATOM 297 O HIS A 19 2.814 -15.081 10.686 1.00 0.00 O ATOM 298 CB HIS A 19 2.139 -12.986 12.545 1.00 0.00 C ATOM 299 CG HIS A 19 2.162 -12.333 13.913 1.00 0.00 C ATOM 300 ND1 HIS A 19 1.875 -13.007 15.082 1.00 0.00 N ATOM 301 CD2 HIS A 19 2.430 -11.060 14.290 1.00 0.00 C ATOM 302 CE1 HIS A 19 1.963 -12.176 16.102 1.00 0.00 C ATOM 303 NE2 HIS A 19 2.298 -10.990 15.644 1.00 0.00 N ATOM 0 H HIS A 19 3.275 -11.092 11.291 1.00 0.00 H new ATOM 0 HA HIS A 19 4.243 -13.542 12.556 1.00 0.00 H new ATOM 0 HB2 HIS A 19 1.473 -12.417 11.896 1.00 0.00 H new ATOM 0 HB3 HIS A 19 1.714 -13.985 12.640 1.00 0.00 H new ATOM 0 HD2 HIS A 19 2.700 -10.246 13.634 1.00 0.00 H new ATOM 0 HE1 HIS A 19 1.789 -12.427 17.138 1.00 0.00 H new ATOM 0 HE2 HIS A 19 2.437 -10.153 16.211 1.00 0.00 H new ATOM 312 N ASP A 20 4.125 -13.625 9.512 1.00 0.00 N ATOM 313 CA ASP A 20 4.330 -14.454 8.285 1.00 0.00 C ATOM 314 C ASP A 20 3.041 -14.606 7.420 1.00 0.00 C ATOM 315 O ASP A 20 3.108 -15.071 6.277 1.00 0.00 O ATOM 316 CB ASP A 20 4.956 -15.840 8.651 1.00 0.00 C ATOM 317 CG ASP A 20 5.282 -16.736 7.439 1.00 0.00 C ATOM 318 OD1 ASP A 20 6.293 -16.475 6.755 1.00 0.00 O ATOM 319 OD2 ASP A 20 4.522 -17.692 7.156 1.00 0.00 O ATOM 0 H ASP A 20 4.532 -12.693 9.433 1.00 0.00 H new ATOM 0 HA ASP A 20 5.038 -13.915 7.656 1.00 0.00 H new ATOM 0 HB2 ASP A 20 5.871 -15.672 9.219 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.267 -16.374 9.306 1.00 0.00 H new ATOM 324 N ASN A 21 1.888 -14.163 7.956 1.00 0.00 N ATOM 325 CA ASN A 21 0.566 -14.219 7.287 1.00 0.00 C ATOM 326 C ASN A 21 0.410 -13.068 6.258 1.00 0.00 C ATOM 327 O ASN A 21 -0.575 -12.317 6.285 1.00 0.00 O ATOM 328 CB ASN A 21 -0.555 -14.142 8.369 1.00 0.00 C ATOM 329 CG ASN A 21 -0.556 -15.309 9.365 1.00 0.00 C ATOM 330 OD1 ASN A 21 -0.771 -15.110 10.560 1.00 0.00 O ATOM 331 ND2 ASN A 21 -0.385 -16.535 8.883 1.00 0.00 N ATOM 0 H ASN A 21 1.844 -13.747 8.886 1.00 0.00 H new ATOM 0 HA ASN A 21 0.484 -15.159 6.741 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.446 -13.209 8.922 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.523 -14.106 7.870 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.431 -17.340 9.508 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.208 -16.672 7.888 1.00 0.00 H new ATOM 338 N ALA A 22 1.371 -12.978 5.320 1.00 0.00 N ATOM 339 CA ALA A 22 1.437 -11.904 4.315 1.00 0.00 C ATOM 340 C ALA A 22 0.234 -11.957 3.353 1.00 0.00 C ATOM 341 O ALA A 22 -0.188 -10.926 2.843 1.00 0.00 O ATOM 342 CB ALA A 22 2.769 -11.984 3.545 1.00 0.00 C ATOM 0 H ALA A 22 2.129 -13.655 5.239 1.00 0.00 H new ATOM 0 HA ALA A 22 1.391 -10.946 4.833 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.809 -11.186 2.804 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.600 -11.874 4.242 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.842 -12.949 3.043 1.00 0.00 H new ATOM 348 N SER A 23 -0.284 -13.176 3.118 1.00 0.00 N ATOM 349 CA SER A 23 -1.525 -13.421 2.349 1.00 0.00 C ATOM 350 C SER A 23 -2.757 -12.723 2.974 1.00 0.00 C ATOM 351 O SER A 23 -3.532 -12.063 2.266 1.00 0.00 O ATOM 352 CB SER A 23 -1.768 -14.943 2.246 1.00 0.00 C ATOM 353 OG SER A 23 -0.629 -15.610 1.720 1.00 0.00 O ATOM 0 H SER A 23 0.151 -14.033 3.460 1.00 0.00 H new ATOM 0 HA SER A 23 -1.392 -12.993 1.355 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.005 -15.344 3.232 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.631 -15.134 1.609 1.00 0.00 H new ATOM 0 HG SER A 23 -0.809 -16.572 1.667 1.00 0.00 H new ATOM 359 N ARG A 24 -2.922 -12.872 4.307 1.00 0.00 N ATOM 360 CA ARG A 24 -4.034 -12.247 5.064 1.00 0.00 C ATOM 361 C ARG A 24 -3.836 -10.725 5.139 1.00 0.00 C ATOM 362 O ARG A 24 -4.802 -9.963 5.116 1.00 0.00 O ATOM 363 CB ARG A 24 -4.122 -12.861 6.488 1.00 0.00 C ATOM 364 CG ARG A 24 -4.461 -14.367 6.510 1.00 0.00 C ATOM 365 CD ARG A 24 -5.890 -14.675 6.022 1.00 0.00 C ATOM 366 NE ARG A 24 -6.132 -16.131 5.952 1.00 0.00 N ATOM 367 CZ ARG A 24 -7.341 -16.736 5.925 1.00 0.00 C ATOM 368 NH1 ARG A 24 -8.468 -16.033 5.964 1.00 0.00 N ATOM 369 NH2 ARG A 24 -7.404 -18.057 5.840 1.00 0.00 N ATOM 0 H ARG A 24 -2.292 -13.426 4.888 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.972 -12.445 4.545 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -3.170 -12.707 6.997 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.879 -12.322 7.058 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.747 -14.903 5.884 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.341 -14.745 7.525 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.613 -14.216 6.696 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.044 -14.231 5.039 1.00 0.00 H new ATOM 0 HE ARG A 24 -5.311 -16.736 5.921 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.432 -15.015 6.015 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.369 -16.511 5.942 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.546 -18.607 5.796 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -8.311 -18.524 5.819 1.00 0.00 H new ATOM 383 N ALA A 25 -2.557 -10.307 5.194 1.00 0.00 N ATOM 384 CA ALA A 25 -2.166 -8.891 5.172 1.00 0.00 C ATOM 385 C ALA A 25 -2.513 -8.255 3.817 1.00 0.00 C ATOM 386 O ALA A 25 -3.014 -7.131 3.760 1.00 0.00 O ATOM 387 CB ALA A 25 -0.666 -8.761 5.449 1.00 0.00 C ATOM 0 H ALA A 25 -1.765 -10.947 5.255 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.719 -8.364 5.950 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.383 -7.709 5.431 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.439 -9.181 6.429 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.107 -9.300 4.684 1.00 0.00 H new ATOM 393 N LEU A 26 -2.280 -9.037 2.746 1.00 0.00 N ATOM 394 CA LEU A 26 -2.490 -8.616 1.353 1.00 0.00 C ATOM 395 C LEU A 26 -3.981 -8.331 1.125 1.00 0.00 C ATOM 396 O LEU A 26 -4.346 -7.281 0.601 1.00 0.00 O ATOM 397 CB LEU A 26 -1.992 -9.723 0.377 1.00 0.00 C ATOM 398 CG LEU A 26 -1.912 -9.330 -1.132 1.00 0.00 C ATOM 399 CD1 LEU A 26 -0.864 -8.225 -1.367 1.00 0.00 C ATOM 400 CD2 LEU A 26 -1.628 -10.563 -2.022 1.00 0.00 C ATOM 0 H LEU A 26 -1.935 -9.993 2.828 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.920 -7.707 1.160 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.002 -10.044 0.700 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.653 -10.585 0.472 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.886 -8.932 -1.418 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.832 -7.973 -2.427 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.134 -7.339 -0.792 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.116 -8.580 -1.049 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.579 -10.254 -3.066 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.678 -11.011 -1.731 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.427 -11.294 -1.897 1.00 0.00 H new ATOM 412 N ALA A 27 -4.814 -9.286 1.575 1.00 0.00 N ATOM 413 CA ALA A 27 -6.283 -9.185 1.546 1.00 0.00 C ATOM 414 C ALA A 27 -6.786 -7.911 2.262 1.00 0.00 C ATOM 415 O ALA A 27 -7.614 -7.176 1.713 1.00 0.00 O ATOM 416 CB ALA A 27 -6.901 -10.448 2.178 1.00 0.00 C ATOM 0 H ALA A 27 -4.480 -10.163 1.975 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.599 -9.111 0.505 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.988 -10.371 2.156 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.588 -11.327 1.615 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.565 -10.540 3.211 1.00 0.00 H new ATOM 422 N LEU A 28 -6.262 -7.660 3.481 1.00 0.00 N ATOM 423 CA LEU A 28 -6.654 -6.489 4.301 1.00 0.00 C ATOM 424 C LEU A 28 -6.321 -5.158 3.602 1.00 0.00 C ATOM 425 O LEU A 28 -7.163 -4.251 3.582 1.00 0.00 O ATOM 426 CB LEU A 28 -5.999 -6.540 5.711 1.00 0.00 C ATOM 427 CG LEU A 28 -6.489 -7.689 6.653 1.00 0.00 C ATOM 428 CD1 LEU A 28 -5.728 -7.678 7.997 1.00 0.00 C ATOM 429 CD2 LEU A 28 -8.016 -7.612 6.878 1.00 0.00 C ATOM 0 H LEU A 28 -5.562 -8.256 3.923 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.736 -6.539 4.422 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.920 -6.635 5.586 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.180 -5.587 6.209 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.271 -8.635 6.158 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.092 -8.489 8.628 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.662 -7.813 7.813 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.892 -6.725 8.500 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.328 -8.423 7.536 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.269 -6.655 7.335 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.530 -7.704 5.921 1.00 0.00 H new ATOM 441 N PHE A 29 -5.107 -5.057 3.013 1.00 0.00 N ATOM 442 CA PHE A 29 -4.663 -3.844 2.299 1.00 0.00 C ATOM 443 C PHE A 29 -5.518 -3.612 1.026 1.00 0.00 C ATOM 444 O PHE A 29 -5.934 -2.486 0.742 1.00 0.00 O ATOM 445 CB PHE A 29 -3.157 -3.918 1.912 1.00 0.00 C ATOM 446 CG PHE A 29 -2.137 -3.841 3.055 1.00 0.00 C ATOM 447 CD1 PHE A 29 -2.214 -2.837 4.021 1.00 0.00 C ATOM 448 CD2 PHE A 29 -1.083 -4.760 3.146 1.00 0.00 C ATOM 449 CE1 PHE A 29 -1.273 -2.758 5.037 1.00 0.00 C ATOM 450 CE2 PHE A 29 -0.144 -4.676 4.158 1.00 0.00 C ATOM 451 CZ PHE A 29 -0.242 -3.678 5.108 1.00 0.00 C ATOM 0 H PHE A 29 -4.416 -5.807 3.020 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.797 -3.005 2.982 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.992 -4.851 1.373 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.946 -3.106 1.216 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.015 -2.114 3.977 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.002 -5.548 2.412 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.345 -1.974 5.777 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.665 -5.390 4.205 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.485 -3.616 5.905 1.00 0.00 H new ATOM 461 N GLU A 30 -5.764 -4.686 0.262 1.00 0.00 N ATOM 462 CA GLU A 30 -6.615 -4.639 -0.948 1.00 0.00 C ATOM 463 C GLU A 30 -8.059 -4.211 -0.616 1.00 0.00 C ATOM 464 O GLU A 30 -8.693 -3.482 -1.397 1.00 0.00 O ATOM 465 CB GLU A 30 -6.609 -6.014 -1.667 1.00 0.00 C ATOM 466 CG GLU A 30 -5.265 -6.377 -2.329 1.00 0.00 C ATOM 467 CD GLU A 30 -5.340 -7.680 -3.134 1.00 0.00 C ATOM 468 OE1 GLU A 30 -5.769 -7.639 -4.312 1.00 0.00 O ATOM 469 OE2 GLU A 30 -5.010 -8.752 -2.592 1.00 0.00 O ATOM 0 H GLU A 30 -5.383 -5.611 0.460 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.195 -3.887 -1.616 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.867 -6.789 -0.946 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.388 -6.016 -2.429 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.957 -5.565 -2.987 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.499 -6.473 -1.560 1.00 0.00 H new ATOM 476 N GLU A 31 -8.548 -4.641 0.561 1.00 0.00 N ATOM 477 CA GLU A 31 -9.897 -4.307 1.043 1.00 0.00 C ATOM 478 C GLU A 31 -9.978 -2.813 1.399 1.00 0.00 C ATOM 479 O GLU A 31 -10.994 -2.158 1.161 1.00 0.00 O ATOM 480 CB GLU A 31 -10.261 -5.180 2.281 1.00 0.00 C ATOM 481 CG GLU A 31 -11.753 -5.153 2.664 1.00 0.00 C ATOM 482 CD GLU A 31 -12.677 -5.655 1.536 1.00 0.00 C ATOM 483 OE1 GLU A 31 -12.586 -6.852 1.169 1.00 0.00 O ATOM 484 OE2 GLU A 31 -13.499 -4.870 1.023 1.00 0.00 O ATOM 0 H GLU A 31 -8.018 -5.230 1.203 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.614 -4.516 0.249 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.968 -6.211 2.082 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.673 -4.841 3.134 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.905 -5.768 3.551 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -12.035 -4.134 2.930 1.00 0.00 H new ATOM 491 N LEU A 32 -8.873 -2.297 1.962 1.00 0.00 N ATOM 492 CA LEU A 32 -8.723 -0.878 2.313 1.00 0.00 C ATOM 493 C LEU A 32 -8.826 0.014 1.079 1.00 0.00 C ATOM 494 O LEU A 32 -9.575 0.976 1.100 1.00 0.00 O ATOM 495 CB LEU A 32 -7.373 -0.645 3.026 1.00 0.00 C ATOM 496 CG LEU A 32 -7.277 -1.199 4.470 1.00 0.00 C ATOM 497 CD1 LEU A 32 -5.818 -1.247 4.969 1.00 0.00 C ATOM 498 CD2 LEU A 32 -8.169 -0.372 5.406 1.00 0.00 C ATOM 0 H LEU A 32 -8.052 -2.859 2.188 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.536 -0.612 2.989 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.583 -1.099 2.428 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.176 0.427 3.053 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.637 -2.228 4.468 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.794 -1.641 5.985 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.231 -1.892 4.315 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.397 -0.242 4.960 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.097 -0.766 6.420 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.841 0.667 5.397 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.203 -0.429 5.067 1.00 0.00 H new ATOM 510 N VAL A 33 -8.070 -0.333 0.016 1.00 0.00 N ATOM 511 CA VAL A 33 -8.041 0.424 -1.254 1.00 0.00 C ATOM 512 C VAL A 33 -9.451 0.568 -1.858 1.00 0.00 C ATOM 513 O VAL A 33 -9.910 1.689 -2.109 1.00 0.00 O ATOM 514 CB VAL A 33 -7.056 -0.246 -2.301 1.00 0.00 C ATOM 515 CG1 VAL A 33 -7.170 0.385 -3.717 1.00 0.00 C ATOM 516 CG2 VAL A 33 -5.600 -0.181 -1.789 1.00 0.00 C ATOM 0 H VAL A 33 -7.460 -1.150 0.014 1.00 0.00 H new ATOM 0 HA VAL A 33 -7.669 1.422 -1.024 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.354 -1.290 -2.398 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.474 -0.111 -4.394 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.187 0.263 -4.089 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.929 1.447 -3.663 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.937 -0.645 -2.519 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.311 0.860 -1.646 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.524 -0.712 -0.840 1.00 0.00 H new ATOM 526 N GLU A 34 -10.130 -0.579 -2.070 1.00 0.00 N ATOM 527 CA GLU A 34 -11.445 -0.607 -2.738 1.00 0.00 C ATOM 528 C GLU A 34 -12.540 0.144 -1.935 1.00 0.00 C ATOM 529 O GLU A 34 -13.360 0.853 -2.532 1.00 0.00 O ATOM 530 CB GLU A 34 -11.886 -2.064 -3.055 1.00 0.00 C ATOM 531 CG GLU A 34 -12.114 -2.964 -1.826 1.00 0.00 C ATOM 532 CD GLU A 34 -12.658 -4.350 -2.187 1.00 0.00 C ATOM 533 OE1 GLU A 34 -13.894 -4.490 -2.352 1.00 0.00 O ATOM 534 OE2 GLU A 34 -11.856 -5.301 -2.329 1.00 0.00 O ATOM 0 H GLU A 34 -9.788 -1.497 -1.787 1.00 0.00 H new ATOM 0 HA GLU A 34 -11.325 -0.073 -3.681 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -12.808 -2.029 -3.635 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -11.128 -2.526 -3.688 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.173 -3.079 -1.288 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -12.811 -2.472 -1.148 1.00 0.00 H new ATOM 541 N THR A 35 -12.552 -0.002 -0.595 1.00 0.00 N ATOM 542 CA THR A 35 -13.572 0.643 0.266 1.00 0.00 C ATOM 543 C THR A 35 -13.247 2.125 0.523 1.00 0.00 C ATOM 544 O THR A 35 -14.146 2.969 0.595 1.00 0.00 O ATOM 545 CB THR A 35 -13.707 -0.100 1.640 1.00 0.00 C ATOM 546 OG1 THR A 35 -12.448 -0.100 2.335 1.00 0.00 O ATOM 547 CG2 THR A 35 -14.190 -1.549 1.468 1.00 0.00 C ATOM 0 H THR A 35 -11.869 -0.560 -0.083 1.00 0.00 H new ATOM 0 HA THR A 35 -14.518 0.580 -0.272 1.00 0.00 H new ATOM 0 HB THR A 35 -14.453 0.441 2.222 1.00 0.00 H new ATOM 0 HG1 THR A 35 -11.863 -0.787 1.952 1.00 0.00 H new ATOM 0 HG21 THR A 35 -14.269 -2.025 2.446 1.00 0.00 H new ATOM 0 HG22 THR A 35 -15.166 -1.552 0.983 1.00 0.00 H new ATOM 0 HG23 THR A 35 -13.478 -2.099 0.853 1.00 0.00 H new ATOM 555 N ASP A 36 -11.947 2.425 0.642 1.00 0.00 N ATOM 556 CA ASP A 36 -11.448 3.735 1.087 1.00 0.00 C ATOM 557 C ASP A 36 -10.193 4.116 0.270 1.00 0.00 C ATOM 558 O ASP A 36 -9.084 3.674 0.594 1.00 0.00 O ATOM 559 CB ASP A 36 -11.120 3.691 2.609 1.00 0.00 C ATOM 560 CG ASP A 36 -10.891 5.083 3.208 1.00 0.00 C ATOM 561 OD1 ASP A 36 -11.888 5.788 3.465 1.00 0.00 O ATOM 562 OD2 ASP A 36 -9.734 5.488 3.403 1.00 0.00 O ATOM 0 H ASP A 36 -11.204 1.759 0.430 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.216 4.491 0.923 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.938 3.203 3.138 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.230 3.082 2.767 1.00 0.00 H new ATOM 567 N PRO A 37 -10.345 4.917 -0.832 1.00 0.00 N ATOM 568 CA PRO A 37 -9.189 5.391 -1.625 1.00 0.00 C ATOM 569 C PRO A 37 -8.356 6.447 -0.870 1.00 0.00 C ATOM 570 O PRO A 37 -7.200 6.681 -1.215 1.00 0.00 O ATOM 571 CB PRO A 37 -9.849 5.974 -2.904 1.00 0.00 C ATOM 572 CG PRO A 37 -11.202 6.420 -2.441 1.00 0.00 C ATOM 573 CD PRO A 37 -11.634 5.402 -1.403 1.00 0.00 C ATOM 0 HA PRO A 37 -8.474 4.597 -1.841 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.271 6.805 -3.308 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.924 5.225 -3.692 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -11.159 7.422 -2.014 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.908 6.457 -3.271 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -12.267 5.852 -0.639 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -12.205 4.589 -1.852 1.00 0.00 H new ATOM 581 N ASP A 38 -8.960 7.048 0.178 1.00 0.00 N ATOM 582 CA ASP A 38 -8.334 8.105 0.999 1.00 0.00 C ATOM 583 C ASP A 38 -7.107 7.570 1.757 1.00 0.00 C ATOM 584 O ASP A 38 -6.149 8.314 1.968 1.00 0.00 O ATOM 585 CB ASP A 38 -9.373 8.658 2.015 1.00 0.00 C ATOM 586 CG ASP A 38 -8.878 9.848 2.868 1.00 0.00 C ATOM 587 OD1 ASP A 38 -8.246 9.640 3.931 1.00 0.00 O ATOM 588 OD2 ASP A 38 -9.134 11.003 2.496 1.00 0.00 O ATOM 0 H ASP A 38 -9.905 6.810 0.480 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.002 8.902 0.334 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -10.265 8.967 1.469 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -9.672 7.850 2.683 1.00 0.00 H new ATOM 593 N TYR A 39 -7.166 6.292 2.197 1.00 0.00 N ATOM 594 CA TYR A 39 -6.095 5.678 3.008 1.00 0.00 C ATOM 595 C TYR A 39 -4.802 5.516 2.168 1.00 0.00 C ATOM 596 O TYR A 39 -4.562 4.471 1.557 1.00 0.00 O ATOM 597 CB TYR A 39 -6.536 4.301 3.616 1.00 0.00 C ATOM 598 CG TYR A 39 -6.041 4.085 5.056 1.00 0.00 C ATOM 599 CD1 TYR A 39 -4.727 3.701 5.311 1.00 0.00 C ATOM 600 CD2 TYR A 39 -6.862 4.340 6.157 1.00 0.00 C ATOM 601 CE1 TYR A 39 -4.258 3.559 6.591 1.00 0.00 C ATOM 602 CE2 TYR A 39 -6.391 4.201 7.446 1.00 0.00 C ATOM 603 CZ TYR A 39 -5.091 3.806 7.659 1.00 0.00 C ATOM 604 OH TYR A 39 -4.622 3.660 8.946 1.00 0.00 O ATOM 0 H TYR A 39 -7.948 5.666 2.002 1.00 0.00 H new ATOM 0 HA TYR A 39 -5.891 6.350 3.842 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -7.624 4.236 3.600 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.159 3.496 2.985 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.062 3.511 4.481 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -7.884 4.651 5.996 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.236 3.254 6.762 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -7.041 4.402 8.285 1.00 0.00 H new ATOM 0 HH TYR A 39 -3.940 2.957 8.968 1.00 0.00 H new ATOM 614 N VAL A 40 -3.989 6.583 2.154 1.00 0.00 N ATOM 615 CA VAL A 40 -2.748 6.662 1.358 1.00 0.00 C ATOM 616 C VAL A 40 -1.680 5.673 1.883 1.00 0.00 C ATOM 617 O VAL A 40 -0.926 5.069 1.095 1.00 0.00 O ATOM 618 CB VAL A 40 -2.174 8.127 1.365 1.00 0.00 C ATOM 619 CG1 VAL A 40 -0.888 8.217 0.534 1.00 0.00 C ATOM 620 CG2 VAL A 40 -3.226 9.151 0.867 1.00 0.00 C ATOM 0 H VAL A 40 -4.174 7.425 2.699 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.997 6.385 0.333 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.930 8.379 2.397 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.512 9.240 0.555 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.137 7.546 0.951 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.099 7.930 -0.496 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.796 10.152 0.885 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.523 8.902 -0.152 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.100 9.120 1.517 1.00 0.00 H new ATOM 630 N GLY A 41 -1.669 5.485 3.219 1.00 0.00 N ATOM 631 CA GLY A 41 -0.711 4.606 3.897 1.00 0.00 C ATOM 632 C GLY A 41 -0.834 3.161 3.445 1.00 0.00 C ATOM 633 O GLY A 41 0.163 2.430 3.396 1.00 0.00 O ATOM 0 H GLY A 41 -2.326 5.941 3.852 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.302 4.959 3.705 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.869 4.662 4.974 1.00 0.00 H new ATOM 637 N THR A 42 -2.074 2.765 3.084 1.00 0.00 N ATOM 638 CA THR A 42 -2.368 1.444 2.535 1.00 0.00 C ATOM 639 C THR A 42 -1.578 1.189 1.246 1.00 0.00 C ATOM 640 O THR A 42 -0.927 0.168 1.132 1.00 0.00 O ATOM 641 CB THR A 42 -3.885 1.274 2.238 1.00 0.00 C ATOM 642 OG1 THR A 42 -4.627 1.382 3.453 1.00 0.00 O ATOM 643 CG2 THR A 42 -4.185 -0.076 1.575 1.00 0.00 C ATOM 0 H THR A 42 -2.896 3.363 3.170 1.00 0.00 H new ATOM 0 HA THR A 42 -2.069 0.718 3.292 1.00 0.00 H new ATOM 0 HB THR A 42 -4.180 2.063 1.546 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.691 2.324 3.715 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.255 -0.157 1.383 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.641 -0.148 0.633 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.873 -0.884 2.237 1.00 0.00 H new ATOM 651 N TYR A 43 -1.641 2.150 0.306 1.00 0.00 N ATOM 652 CA TYR A 43 -1.041 2.020 -1.042 1.00 0.00 C ATOM 653 C TYR A 43 0.475 1.765 -0.985 1.00 0.00 C ATOM 654 O TYR A 43 1.003 0.921 -1.719 1.00 0.00 O ATOM 655 CB TYR A 43 -1.329 3.280 -1.890 1.00 0.00 C ATOM 656 CG TYR A 43 -2.809 3.459 -2.254 1.00 0.00 C ATOM 657 CD1 TYR A 43 -3.678 4.171 -1.432 1.00 0.00 C ATOM 658 CD2 TYR A 43 -3.329 2.912 -3.429 1.00 0.00 C ATOM 659 CE1 TYR A 43 -5.004 4.328 -1.766 1.00 0.00 C ATOM 660 CE2 TYR A 43 -4.650 3.076 -3.763 1.00 0.00 C ATOM 661 CZ TYR A 43 -5.479 3.782 -2.932 1.00 0.00 C ATOM 662 OH TYR A 43 -6.792 3.949 -3.276 1.00 0.00 O ATOM 0 H TYR A 43 -2.110 3.043 0.457 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.505 1.152 -1.511 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.991 4.160 -1.343 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.743 3.230 -2.808 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.306 4.607 -0.517 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.681 2.351 -4.086 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -5.667 4.878 -1.114 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -5.035 2.650 -4.678 1.00 0.00 H new ATOM 0 HH TYR A 43 -6.914 3.719 -4.221 1.00 0.00 H new ATOM 672 N TYR A 44 1.156 2.539 -0.133 1.00 0.00 N ATOM 673 CA TYR A 44 2.597 2.388 0.128 1.00 0.00 C ATOM 674 C TYR A 44 2.939 0.971 0.631 1.00 0.00 C ATOM 675 O TYR A 44 3.813 0.301 0.083 1.00 0.00 O ATOM 676 CB TYR A 44 3.041 3.464 1.150 1.00 0.00 C ATOM 677 CG TYR A 44 4.560 3.602 1.310 1.00 0.00 C ATOM 678 CD1 TYR A 44 5.343 4.163 0.295 1.00 0.00 C ATOM 679 CD2 TYR A 44 5.210 3.189 2.472 1.00 0.00 C ATOM 680 CE1 TYR A 44 6.706 4.301 0.439 1.00 0.00 C ATOM 681 CE2 TYR A 44 6.574 3.331 2.614 1.00 0.00 C ATOM 682 CZ TYR A 44 7.312 3.890 1.599 1.00 0.00 C ATOM 683 OH TYR A 44 8.668 4.046 1.746 1.00 0.00 O ATOM 0 H TYR A 44 0.723 3.293 0.400 1.00 0.00 H new ATOM 0 HA TYR A 44 3.140 2.529 -0.806 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.632 4.427 0.845 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.606 3.226 2.121 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.870 4.494 -0.618 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.635 2.750 3.274 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.295 4.731 -0.358 1.00 0.00 H new ATOM 0 HE2 TYR A 44 7.061 3.004 3.521 1.00 0.00 H new ATOM 0 HH TYR A 44 8.861 4.958 2.049 1.00 0.00 H new ATOM 693 N HIS A 45 2.196 0.530 1.652 1.00 0.00 N ATOM 694 CA HIS A 45 2.426 -0.761 2.337 1.00 0.00 C ATOM 695 C HIS A 45 1.974 -1.969 1.482 1.00 0.00 C ATOM 696 O HIS A 45 2.566 -3.053 1.556 1.00 0.00 O ATOM 697 CB HIS A 45 1.738 -0.737 3.731 1.00 0.00 C ATOM 698 CG HIS A 45 2.488 0.101 4.737 1.00 0.00 C ATOM 699 ND1 HIS A 45 3.183 -0.439 5.798 1.00 0.00 N ATOM 700 CD2 HIS A 45 2.703 1.433 4.797 1.00 0.00 C ATOM 701 CE1 HIS A 45 3.793 0.527 6.458 1.00 0.00 C ATOM 702 NE2 HIS A 45 3.516 1.669 5.870 1.00 0.00 N ATOM 0 H HIS A 45 1.411 1.058 2.034 1.00 0.00 H new ATOM 0 HA HIS A 45 3.499 -0.890 2.480 1.00 0.00 H new ATOM 0 HB2 HIS A 45 0.725 -0.349 3.625 1.00 0.00 H new ATOM 0 HB3 HIS A 45 1.651 -1.757 4.106 1.00 0.00 H new ATOM 0 HD2 HIS A 45 2.305 2.176 4.121 1.00 0.00 H new ATOM 0 HE1 HIS A 45 4.414 0.401 7.332 1.00 0.00 H new ATOM 0 HE2 HIS A 45 3.854 2.585 6.167 1.00 0.00 H new ATOM 711 N LEU A 46 0.959 -1.756 0.646 1.00 0.00 N ATOM 712 CA LEU A 46 0.423 -2.786 -0.264 1.00 0.00 C ATOM 713 C LEU A 46 1.398 -2.991 -1.432 1.00 0.00 C ATOM 714 O LEU A 46 1.636 -4.122 -1.868 1.00 0.00 O ATOM 715 CB LEU A 46 -0.992 -2.373 -0.778 1.00 0.00 C ATOM 716 CG LEU A 46 -1.688 -3.339 -1.796 1.00 0.00 C ATOM 717 CD1 LEU A 46 -1.811 -4.780 -1.257 1.00 0.00 C ATOM 718 CD2 LEU A 46 -3.071 -2.801 -2.236 1.00 0.00 C ATOM 0 H LEU A 46 0.477 -0.860 0.575 1.00 0.00 H new ATOM 0 HA LEU A 46 0.318 -3.728 0.274 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.647 -2.262 0.086 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.910 -1.391 -1.244 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.040 -3.376 -2.672 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.300 -5.407 -2.002 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.817 -5.176 -1.046 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.402 -4.777 -0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.524 -3.497 -2.942 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.716 -2.698 -1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.948 -1.829 -2.713 1.00 0.00 H new ATOM 730 N GLY A 47 1.984 -1.869 -1.895 1.00 0.00 N ATOM 731 CA GLY A 47 2.945 -1.868 -2.988 1.00 0.00 C ATOM 732 C GLY A 47 4.270 -2.498 -2.579 1.00 0.00 C ATOM 733 O GLY A 47 4.852 -3.262 -3.345 1.00 0.00 O ATOM 0 H GLY A 47 1.796 -0.942 -1.513 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.531 -2.413 -3.836 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.117 -0.844 -3.320 1.00 0.00 H new ATOM 737 N LYS A 48 4.742 -2.163 -1.353 1.00 0.00 N ATOM 738 CA LYS A 48 5.996 -2.722 -0.785 1.00 0.00 C ATOM 739 C LYS A 48 5.877 -4.237 -0.624 1.00 0.00 C ATOM 740 O LYS A 48 6.850 -4.969 -0.838 1.00 0.00 O ATOM 741 CB LYS A 48 6.357 -2.060 0.581 1.00 0.00 C ATOM 742 CG LYS A 48 6.860 -0.598 0.489 1.00 0.00 C ATOM 743 CD LYS A 48 8.150 -0.466 -0.354 1.00 0.00 C ATOM 744 CE LYS A 48 8.663 0.977 -0.463 1.00 0.00 C ATOM 745 NZ LYS A 48 9.211 1.461 0.824 1.00 0.00 N ATOM 0 H LYS A 48 4.270 -1.504 -0.734 1.00 0.00 H new ATOM 0 HA LYS A 48 6.802 -2.499 -1.484 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.477 -2.085 1.223 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.124 -2.662 1.068 1.00 0.00 H new ATOM 0 HG2 LYS A 48 6.079 0.024 0.052 1.00 0.00 H new ATOM 0 HG3 LYS A 48 7.046 -0.218 1.493 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.929 -1.088 0.087 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.962 -0.853 -1.355 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.435 1.032 -1.231 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.850 1.629 -0.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.820 2.401 1.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.952 0.799 1.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 10.247 1.524 0.759 1.00 0.00 H new ATOM 759 N LEU A 49 4.671 -4.693 -0.239 1.00 0.00 N ATOM 760 CA LEU A 49 4.370 -6.123 -0.117 1.00 0.00 C ATOM 761 C LEU A 49 4.376 -6.787 -1.510 1.00 0.00 C ATOM 762 O LEU A 49 4.910 -7.885 -1.662 1.00 0.00 O ATOM 763 CB LEU A 49 3.018 -6.346 0.616 1.00 0.00 C ATOM 764 CG LEU A 49 2.586 -7.835 0.850 1.00 0.00 C ATOM 765 CD1 LEU A 49 3.713 -8.669 1.518 1.00 0.00 C ATOM 766 CD2 LEU A 49 1.270 -7.900 1.673 1.00 0.00 C ATOM 0 H LEU A 49 3.887 -4.083 -0.007 1.00 0.00 H new ATOM 0 HA LEU A 49 5.146 -6.594 0.487 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.069 -5.849 1.585 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.234 -5.849 0.044 1.00 0.00 H new ATOM 0 HG LEU A 49 2.400 -8.282 -0.127 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.371 -9.694 1.662 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.595 -8.667 0.878 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.965 -8.232 2.484 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.987 -8.942 1.825 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.422 -7.421 2.640 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.477 -7.383 1.132 1.00 0.00 H new ATOM 778 N TYR A 50 3.791 -6.096 -2.512 1.00 0.00 N ATOM 779 CA TYR A 50 3.802 -6.548 -3.920 1.00 0.00 C ATOM 780 C TYR A 50 5.236 -6.763 -4.430 1.00 0.00 C ATOM 781 O TYR A 50 5.511 -7.778 -5.050 1.00 0.00 O ATOM 782 CB TYR A 50 3.057 -5.549 -4.849 1.00 0.00 C ATOM 783 CG TYR A 50 1.526 -5.634 -4.827 1.00 0.00 C ATOM 784 CD1 TYR A 50 0.876 -6.866 -4.726 1.00 0.00 C ATOM 785 CD2 TYR A 50 0.729 -4.490 -4.930 1.00 0.00 C ATOM 786 CE1 TYR A 50 -0.497 -6.947 -4.722 1.00 0.00 C ATOM 787 CE2 TYR A 50 -0.649 -4.578 -4.927 1.00 0.00 C ATOM 788 CZ TYR A 50 -1.256 -5.808 -4.820 1.00 0.00 C ATOM 789 OH TYR A 50 -2.627 -5.902 -4.810 1.00 0.00 O ATOM 0 H TYR A 50 3.300 -5.213 -2.369 1.00 0.00 H new ATOM 0 HA TYR A 50 3.275 -7.502 -3.947 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.350 -4.536 -4.572 1.00 0.00 H new ATOM 0 HB3 TYR A 50 3.397 -5.711 -5.872 1.00 0.00 H new ATOM 0 HD1 TYR A 50 1.461 -7.770 -4.650 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.199 -3.521 -5.013 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.979 -7.910 -4.641 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -1.249 -3.684 -5.008 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.017 -5.006 -4.886 1.00 0.00 H new ATOM 799 N GLU A 51 6.138 -5.809 -4.137 1.00 0.00 N ATOM 800 CA GLU A 51 7.565 -5.886 -4.539 1.00 0.00 C ATOM 801 C GLU A 51 8.212 -7.197 -4.034 1.00 0.00 C ATOM 802 O GLU A 51 8.938 -7.879 -4.768 1.00 0.00 O ATOM 803 CB GLU A 51 8.354 -4.689 -3.962 1.00 0.00 C ATOM 804 CG GLU A 51 7.906 -3.286 -4.432 1.00 0.00 C ATOM 805 CD GLU A 51 8.663 -2.131 -3.738 1.00 0.00 C ATOM 806 OE1 GLU A 51 9.367 -2.374 -2.730 1.00 0.00 O ATOM 807 OE2 GLU A 51 8.564 -0.969 -4.184 1.00 0.00 O ATOM 0 H GLU A 51 5.905 -4.963 -3.617 1.00 0.00 H new ATOM 0 HA GLU A 51 7.601 -5.862 -5.628 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.284 -4.725 -2.875 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.406 -4.816 -4.218 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.051 -3.209 -5.510 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.838 -3.173 -4.246 1.00 0.00 H new ATOM 814 N ARG A 52 7.892 -7.540 -2.773 1.00 0.00 N ATOM 815 CA ARG A 52 8.395 -8.753 -2.096 1.00 0.00 C ATOM 816 C ARG A 52 7.798 -10.027 -2.725 1.00 0.00 C ATOM 817 O ARG A 52 8.470 -11.053 -2.824 1.00 0.00 O ATOM 818 CB ARG A 52 8.056 -8.683 -0.586 1.00 0.00 C ATOM 819 CG ARG A 52 8.668 -7.468 0.148 1.00 0.00 C ATOM 820 CD ARG A 52 8.164 -7.332 1.593 1.00 0.00 C ATOM 821 NE ARG A 52 8.520 -8.500 2.417 1.00 0.00 N ATOM 822 CZ ARG A 52 8.023 -8.782 3.632 1.00 0.00 C ATOM 823 NH1 ARG A 52 7.145 -7.974 4.218 1.00 0.00 N ATOM 824 NH2 ARG A 52 8.419 -9.876 4.265 1.00 0.00 N ATOM 0 H ARG A 52 7.272 -6.979 -2.189 1.00 0.00 H new ATOM 0 HA ARG A 52 9.477 -8.798 -2.220 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.973 -8.655 -0.470 1.00 0.00 H new ATOM 0 HB3 ARG A 52 8.405 -9.597 -0.105 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.754 -7.562 0.154 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.429 -6.558 -0.403 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.585 -6.432 2.040 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.081 -7.209 1.589 1.00 0.00 H new ATOM 0 HE ARG A 52 9.204 -9.151 2.031 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.839 -7.124 3.744 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.778 -8.204 5.141 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.098 -10.500 3.829 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.045 -10.095 5.188 1.00 0.00 H new ATOM 838 N LEU A 53 6.532 -9.943 -3.169 1.00 0.00 N ATOM 839 CA LEU A 53 5.815 -11.064 -3.829 1.00 0.00 C ATOM 840 C LEU A 53 6.131 -11.152 -5.349 1.00 0.00 C ATOM 841 O LEU A 53 5.451 -11.894 -6.071 1.00 0.00 O ATOM 842 CB LEU A 53 4.283 -10.888 -3.605 1.00 0.00 C ATOM 843 CG LEU A 53 3.804 -10.850 -2.116 1.00 0.00 C ATOM 844 CD1 LEU A 53 2.290 -10.556 -2.017 1.00 0.00 C ATOM 845 CD2 LEU A 53 4.180 -12.151 -1.361 1.00 0.00 C ATOM 0 H LEU A 53 5.970 -9.096 -3.083 1.00 0.00 H new ATOM 0 HA LEU A 53 6.157 -11.997 -3.381 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.970 -9.963 -4.090 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.767 -11.704 -4.111 1.00 0.00 H new ATOM 0 HG LEU A 53 4.329 -10.029 -1.628 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.991 -10.537 -0.969 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.076 -9.589 -2.473 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.733 -11.334 -2.539 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.831 -12.087 -0.330 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.711 -13.004 -1.851 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.263 -12.277 -1.370 1.00 0.00 H new ATOM 857 N ASP A 54 7.164 -10.391 -5.817 1.00 0.00 N ATOM 858 CA ASP A 54 7.580 -10.302 -7.251 1.00 0.00 C ATOM 859 C ASP A 54 6.490 -9.678 -8.145 1.00 0.00 C ATOM 860 O ASP A 54 6.573 -9.715 -9.370 1.00 0.00 O ATOM 861 CB ASP A 54 8.027 -11.689 -7.807 1.00 0.00 C ATOM 862 CG ASP A 54 9.244 -12.259 -7.065 1.00 0.00 C ATOM 863 OD1 ASP A 54 10.382 -11.878 -7.393 1.00 0.00 O ATOM 864 OD2 ASP A 54 9.075 -13.073 -6.134 1.00 0.00 O ATOM 0 H ASP A 54 7.738 -9.815 -5.202 1.00 0.00 H new ATOM 0 HA ASP A 54 8.440 -9.632 -7.278 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.197 -12.392 -7.730 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.265 -11.592 -8.866 1.00 0.00 H new ATOM 869 N ARG A 55 5.502 -9.061 -7.506 1.00 0.00 N ATOM 870 CA ARG A 55 4.368 -8.396 -8.164 1.00 0.00 C ATOM 871 C ARG A 55 4.690 -6.898 -8.296 1.00 0.00 C ATOM 872 O ARG A 55 3.900 -6.035 -7.916 1.00 0.00 O ATOM 873 CB ARG A 55 3.066 -8.633 -7.339 1.00 0.00 C ATOM 874 CG ARG A 55 2.691 -10.114 -7.107 1.00 0.00 C ATOM 875 CD ARG A 55 2.667 -10.932 -8.410 1.00 0.00 C ATOM 876 NE ARG A 55 1.854 -10.302 -9.465 1.00 0.00 N ATOM 877 CZ ARG A 55 1.708 -10.773 -10.713 1.00 0.00 C ATOM 878 NH1 ARG A 55 2.235 -11.942 -11.077 1.00 0.00 N ATOM 879 NH2 ARG A 55 1.032 -10.059 -11.597 1.00 0.00 N ATOM 0 H ARG A 55 5.461 -9.004 -6.488 1.00 0.00 H new ATOM 0 HA ARG A 55 4.205 -8.809 -9.159 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.177 -8.147 -6.369 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.238 -8.141 -7.849 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.405 -10.561 -6.415 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.711 -10.166 -6.632 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.687 -11.060 -8.772 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.275 -11.928 -8.201 1.00 0.00 H new ATOM 0 HE ARG A 55 1.363 -9.440 -9.228 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.761 -12.497 -10.402 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.112 -12.282 -12.031 1.00 0.00 H new ATOM 0 HH21 ARG A 55 0.629 -9.162 -11.327 1.00 0.00 H new ATOM 0 HH22 ARG A 55 0.914 -10.405 -12.549 1.00 0.00 H new ATOM 893 N THR A 56 5.876 -6.609 -8.852 1.00 0.00 N ATOM 894 CA THR A 56 6.388 -5.240 -9.004 1.00 0.00 C ATOM 895 C THR A 56 5.507 -4.418 -9.963 1.00 0.00 C ATOM 896 O THR A 56 5.321 -3.228 -9.758 1.00 0.00 O ATOM 897 CB THR A 56 7.858 -5.259 -9.515 1.00 0.00 C ATOM 898 OG1 THR A 56 8.626 -6.165 -8.709 1.00 0.00 O ATOM 899 CG2 THR A 56 8.514 -3.869 -9.480 1.00 0.00 C ATOM 0 H THR A 56 6.510 -7.323 -9.211 1.00 0.00 H new ATOM 0 HA THR A 56 6.360 -4.765 -8.023 1.00 0.00 H new ATOM 0 HB THR A 56 7.838 -5.584 -10.555 1.00 0.00 H new ATOM 0 HG1 THR A 56 9.552 -6.182 -9.028 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.538 -3.941 -9.847 1.00 0.00 H new ATOM 0 HG22 THR A 56 7.949 -3.184 -10.112 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.521 -3.496 -8.456 1.00 0.00 H new ATOM 907 N ASP A 57 4.942 -5.091 -10.976 1.00 0.00 N ATOM 908 CA ASP A 57 4.005 -4.477 -11.938 1.00 0.00 C ATOM 909 C ASP A 57 2.744 -3.960 -11.212 1.00 0.00 C ATOM 910 O ASP A 57 2.257 -2.852 -11.481 1.00 0.00 O ATOM 911 CB ASP A 57 3.617 -5.513 -13.018 1.00 0.00 C ATOM 912 CG ASP A 57 2.660 -4.957 -14.088 1.00 0.00 C ATOM 913 OD1 ASP A 57 3.121 -4.221 -14.991 1.00 0.00 O ATOM 914 OD2 ASP A 57 1.446 -5.252 -14.032 1.00 0.00 O ATOM 0 H ASP A 57 5.120 -6.079 -11.155 1.00 0.00 H new ATOM 0 HA ASP A 57 4.494 -3.628 -12.416 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.523 -5.875 -13.505 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.150 -6.371 -12.535 1.00 0.00 H new ATOM 919 N ASP A 58 2.242 -4.794 -10.284 1.00 0.00 N ATOM 920 CA ASP A 58 1.117 -4.452 -9.389 1.00 0.00 C ATOM 921 C ASP A 58 1.508 -3.274 -8.487 1.00 0.00 C ATOM 922 O ASP A 58 0.709 -2.366 -8.268 1.00 0.00 O ATOM 923 CB ASP A 58 0.730 -5.666 -8.500 1.00 0.00 C ATOM 924 CG ASP A 58 0.254 -6.889 -9.295 1.00 0.00 C ATOM 925 OD1 ASP A 58 1.043 -7.440 -10.093 1.00 0.00 O ATOM 926 OD2 ASP A 58 -0.898 -7.327 -9.103 1.00 0.00 O ATOM 0 H ASP A 58 2.608 -5.734 -10.131 1.00 0.00 H new ATOM 0 HA ASP A 58 0.262 -4.179 -10.007 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.591 -5.950 -7.895 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.058 -5.363 -7.811 1.00 0.00 H new ATOM 931 N ALA A 59 2.768 -3.308 -7.997 1.00 0.00 N ATOM 932 CA ALA A 59 3.317 -2.305 -7.068 1.00 0.00 C ATOM 933 C ALA A 59 3.319 -0.912 -7.708 1.00 0.00 C ATOM 934 O ALA A 59 2.808 0.028 -7.113 1.00 0.00 O ATOM 935 CB ALA A 59 4.737 -2.696 -6.603 1.00 0.00 C ATOM 0 H ALA A 59 3.435 -4.041 -8.240 1.00 0.00 H new ATOM 0 HA ALA A 59 2.672 -2.275 -6.189 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.117 -1.938 -5.918 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.701 -3.659 -6.094 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.396 -2.767 -7.468 1.00 0.00 H new ATOM 941 N ILE A 60 3.850 -0.811 -8.951 1.00 0.00 N ATOM 942 CA ILE A 60 3.946 0.460 -9.718 1.00 0.00 C ATOM 943 C ILE A 60 2.552 1.099 -9.877 1.00 0.00 C ATOM 944 O ILE A 60 2.391 2.314 -9.746 1.00 0.00 O ATOM 945 CB ILE A 60 4.591 0.251 -11.159 1.00 0.00 C ATOM 946 CG1 ILE A 60 5.968 -0.491 -11.076 1.00 0.00 C ATOM 947 CG2 ILE A 60 4.744 1.603 -11.912 1.00 0.00 C ATOM 948 CD1 ILE A 60 6.955 0.118 -10.102 1.00 0.00 C ATOM 0 H ILE A 60 4.227 -1.614 -9.455 1.00 0.00 H new ATOM 0 HA ILE A 60 4.599 1.121 -9.148 1.00 0.00 H new ATOM 0 HB ILE A 60 3.906 -0.380 -11.726 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.790 -1.528 -10.792 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.419 -0.505 -12.068 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.187 1.426 -12.892 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.764 2.064 -12.035 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.388 2.269 -11.338 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.879 -0.460 -10.111 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.168 1.146 -10.395 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.530 0.107 -9.098 1.00 0.00 H new ATOM 960 N ASP A 61 1.558 0.233 -10.128 1.00 0.00 N ATOM 961 CA ASP A 61 0.157 0.636 -10.358 1.00 0.00 C ATOM 962 C ASP A 61 -0.524 1.075 -9.040 1.00 0.00 C ATOM 963 O ASP A 61 -1.361 1.975 -9.042 1.00 0.00 O ATOM 964 CB ASP A 61 -0.629 -0.529 -11.019 1.00 0.00 C ATOM 965 CG ASP A 61 -1.997 -0.088 -11.577 1.00 0.00 C ATOM 966 OD1 ASP A 61 -2.058 0.341 -12.751 1.00 0.00 O ATOM 967 OD2 ASP A 61 -3.012 -0.154 -10.851 1.00 0.00 O ATOM 0 H ASP A 61 1.703 -0.775 -10.178 1.00 0.00 H new ATOM 0 HA ASP A 61 0.154 1.492 -11.032 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.032 -0.952 -11.827 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.779 -1.321 -10.286 1.00 0.00 H new ATOM 972 N THR A 62 -0.149 0.415 -7.925 1.00 0.00 N ATOM 973 CA THR A 62 -0.676 0.726 -6.578 1.00 0.00 C ATOM 974 C THR A 62 -0.101 2.058 -6.056 1.00 0.00 C ATOM 975 O THR A 62 -0.799 2.828 -5.388 1.00 0.00 O ATOM 976 CB THR A 62 -0.355 -0.436 -5.578 1.00 0.00 C ATOM 977 OG1 THR A 62 -0.908 -1.659 -6.082 1.00 0.00 O ATOM 978 CG2 THR A 62 -0.914 -0.184 -4.165 1.00 0.00 C ATOM 0 H THR A 62 0.527 -0.348 -7.932 1.00 0.00 H new ATOM 0 HA THR A 62 -1.758 0.828 -6.655 1.00 0.00 H new ATOM 0 HB THR A 62 0.730 -0.496 -5.495 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.376 -1.969 -6.844 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.659 -1.023 -3.518 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.481 0.731 -3.760 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.998 -0.081 -4.216 1.00 0.00 H new ATOM 986 N TYR A 63 1.182 2.308 -6.362 1.00 0.00 N ATOM 987 CA TYR A 63 1.848 3.579 -6.047 1.00 0.00 C ATOM 988 C TYR A 63 1.285 4.700 -6.922 1.00 0.00 C ATOM 989 O TYR A 63 1.161 5.818 -6.461 1.00 0.00 O ATOM 990 CB TYR A 63 3.379 3.490 -6.243 1.00 0.00 C ATOM 991 CG TYR A 63 4.102 2.531 -5.289 1.00 0.00 C ATOM 992 CD1 TYR A 63 3.873 2.573 -3.911 1.00 0.00 C ATOM 993 CD2 TYR A 63 5.024 1.598 -5.760 1.00 0.00 C ATOM 994 CE1 TYR A 63 4.538 1.726 -3.056 1.00 0.00 C ATOM 995 CE2 TYR A 63 5.682 0.750 -4.907 1.00 0.00 C ATOM 996 CZ TYR A 63 5.434 0.819 -3.560 1.00 0.00 C ATOM 997 OH TYR A 63 6.096 -0.011 -2.710 1.00 0.00 O ATOM 0 H TYR A 63 1.785 1.635 -6.834 1.00 0.00 H new ATOM 0 HA TYR A 63 1.654 3.797 -4.997 1.00 0.00 H new ATOM 0 HB2 TYR A 63 3.581 3.179 -7.268 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.804 4.487 -6.123 1.00 0.00 H new ATOM 0 HD1 TYR A 63 3.163 3.282 -3.511 1.00 0.00 H new ATOM 0 HD2 TYR A 63 5.224 1.542 -6.820 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.355 1.775 -1.993 1.00 0.00 H new ATOM 0 HE2 TYR A 63 6.391 0.033 -5.293 1.00 0.00 H new ATOM 0 HH TYR A 63 6.897 -0.361 -3.152 1.00 0.00 H new ATOM 1007 N ALA A 64 0.985 4.376 -8.195 1.00 0.00 N ATOM 1008 CA ALA A 64 0.341 5.298 -9.151 1.00 0.00 C ATOM 1009 C ALA A 64 -1.039 5.760 -8.634 1.00 0.00 C ATOM 1010 O ALA A 64 -1.340 6.956 -8.616 1.00 0.00 O ATOM 1011 CB ALA A 64 0.226 4.628 -10.531 1.00 0.00 C ATOM 0 H ALA A 64 1.185 3.458 -8.592 1.00 0.00 H new ATOM 0 HA ALA A 64 0.963 6.188 -9.251 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.250 5.315 -11.230 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.221 4.371 -10.895 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.374 3.722 -10.447 1.00 0.00 H new ATOM 1017 N GLN A 65 -1.858 4.780 -8.199 1.00 0.00 N ATOM 1018 CA GLN A 65 -3.167 5.028 -7.544 1.00 0.00 C ATOM 1019 C GLN A 65 -2.986 5.842 -6.258 1.00 0.00 C ATOM 1020 O GLN A 65 -3.790 6.732 -5.943 1.00 0.00 O ATOM 1021 CB GLN A 65 -3.868 3.676 -7.224 1.00 0.00 C ATOM 1022 CG GLN A 65 -4.462 2.948 -8.452 1.00 0.00 C ATOM 1023 CD GLN A 65 -5.902 3.358 -8.822 1.00 0.00 C ATOM 1024 OE1 GLN A 65 -6.645 2.557 -9.388 1.00 0.00 O ATOM 1025 NE2 GLN A 65 -6.310 4.596 -8.545 1.00 0.00 N ATOM 0 H GLN A 65 -1.633 3.789 -8.291 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.791 5.601 -8.230 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.149 3.015 -6.740 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.667 3.858 -6.505 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.816 3.131 -9.311 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.444 1.875 -8.263 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.681 5.247 -8.075 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.251 4.892 -8.803 1.00 0.00 H new ATOM 1034 N GLY A 66 -1.919 5.492 -5.525 1.00 0.00 N ATOM 1035 CA GLY A 66 -1.514 6.190 -4.322 1.00 0.00 C ATOM 1036 C GLY A 66 -1.200 7.655 -4.570 1.00 0.00 C ATOM 1037 O GLY A 66 -1.611 8.497 -3.801 1.00 0.00 O ATOM 0 H GLY A 66 -1.314 4.706 -5.764 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.307 6.114 -3.579 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.635 5.701 -3.902 1.00 0.00 H new ATOM 1041 N ILE A 67 -0.474 7.936 -5.658 1.00 0.00 N ATOM 1042 CA ILE A 67 -0.033 9.298 -6.040 1.00 0.00 C ATOM 1043 C ILE A 67 -1.244 10.225 -6.259 1.00 0.00 C ATOM 1044 O ILE A 67 -1.232 11.387 -5.827 1.00 0.00 O ATOM 1045 CB ILE A 67 0.896 9.230 -7.331 1.00 0.00 C ATOM 1046 CG1 ILE A 67 2.315 8.688 -6.949 1.00 0.00 C ATOM 1047 CG2 ILE A 67 1.003 10.587 -8.083 1.00 0.00 C ATOM 1048 CD1 ILE A 67 3.233 8.412 -8.121 1.00 0.00 C ATOM 0 H ILE A 67 -0.167 7.217 -6.314 1.00 0.00 H new ATOM 0 HA ILE A 67 0.554 9.721 -5.224 1.00 0.00 H new ATOM 0 HB ILE A 67 0.420 8.538 -8.026 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.798 9.411 -6.291 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.194 7.768 -6.378 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.650 10.471 -8.952 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.011 10.902 -8.408 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.422 11.340 -7.416 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.190 8.041 -7.754 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.779 7.664 -8.771 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.392 9.332 -8.683 1.00 0.00 H new ATOM 1060 N GLU A 68 -2.294 9.670 -6.886 1.00 0.00 N ATOM 1061 CA GLU A 68 -3.537 10.401 -7.200 1.00 0.00 C ATOM 1062 C GLU A 68 -4.246 10.864 -5.910 1.00 0.00 C ATOM 1063 O GLU A 68 -4.713 12.000 -5.815 1.00 0.00 O ATOM 1064 CB GLU A 68 -4.471 9.491 -8.041 1.00 0.00 C ATOM 1065 CG GLU A 68 -3.826 8.960 -9.339 1.00 0.00 C ATOM 1066 CD GLU A 68 -4.761 8.066 -10.172 1.00 0.00 C ATOM 1067 OE1 GLU A 68 -4.866 6.852 -9.887 1.00 0.00 O ATOM 1068 OE2 GLU A 68 -5.405 8.572 -11.115 1.00 0.00 O ATOM 0 H GLU A 68 -2.307 8.697 -7.192 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.287 11.291 -7.777 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.783 8.644 -7.430 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.372 10.049 -8.297 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.508 9.806 -9.949 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.929 8.395 -9.084 1.00 0.00 H new ATOM 1075 N VAL A 69 -4.312 9.960 -4.925 1.00 0.00 N ATOM 1076 CA VAL A 69 -4.952 10.238 -3.615 1.00 0.00 C ATOM 1077 C VAL A 69 -3.988 10.940 -2.621 1.00 0.00 C ATOM 1078 O VAL A 69 -4.429 11.553 -1.663 1.00 0.00 O ATOM 1079 CB VAL A 69 -5.559 8.937 -2.980 1.00 0.00 C ATOM 1080 CG1 VAL A 69 -6.573 8.275 -3.943 1.00 0.00 C ATOM 1081 CG2 VAL A 69 -4.467 7.930 -2.543 1.00 0.00 C ATOM 0 H VAL A 69 -3.928 9.018 -5.004 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.770 10.931 -3.814 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.089 9.240 -2.077 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.980 7.376 -3.481 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.383 8.973 -4.154 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.071 8.010 -4.873 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.938 7.048 -2.110 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.875 7.637 -3.410 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.818 8.396 -1.801 1.00 0.00 H new ATOM 1091 N ALA A 70 -2.673 10.810 -2.846 1.00 0.00 N ATOM 1092 CA ALA A 70 -1.635 11.359 -1.933 1.00 0.00 C ATOM 1093 C ALA A 70 -1.518 12.871 -2.061 1.00 0.00 C ATOM 1094 O ALA A 70 -1.341 13.572 -1.073 1.00 0.00 O ATOM 1095 CB ALA A 70 -0.277 10.712 -2.184 1.00 0.00 C ATOM 0 H ALA A 70 -2.291 10.326 -3.658 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.952 11.123 -0.917 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.459 11.135 -1.501 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.350 9.637 -2.019 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.032 10.901 -3.212 1.00 0.00 H new ATOM 1101 N ARG A 71 -1.571 13.350 -3.306 1.00 0.00 N ATOM 1102 CA ARG A 71 -1.516 14.784 -3.602 1.00 0.00 C ATOM 1103 C ARG A 71 -2.773 15.516 -3.073 1.00 0.00 C ATOM 1104 O ARG A 71 -2.670 16.629 -2.547 1.00 0.00 O ATOM 1105 CB ARG A 71 -1.327 15.010 -5.129 1.00 0.00 C ATOM 1106 CG ARG A 71 -2.416 14.385 -6.025 1.00 0.00 C ATOM 1107 CD ARG A 71 -2.153 14.577 -7.528 1.00 0.00 C ATOM 1108 NE ARG A 71 -2.019 15.998 -7.882 1.00 0.00 N ATOM 1109 CZ ARG A 71 -2.941 16.741 -8.504 1.00 0.00 C ATOM 1110 NH1 ARG A 71 -4.130 16.240 -8.833 1.00 0.00 N ATOM 1111 NH2 ARG A 71 -2.666 18.004 -8.780 1.00 0.00 N ATOM 0 H ARG A 71 -1.653 12.759 -4.133 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.656 15.210 -3.085 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -1.293 16.083 -5.320 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.359 14.603 -5.423 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.486 13.319 -5.809 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -3.381 14.826 -5.773 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.244 14.045 -7.809 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -2.970 14.136 -8.099 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.144 16.458 -7.631 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -4.354 15.270 -8.611 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -4.817 16.826 -9.307 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.762 18.398 -8.519 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.358 18.585 -9.254 1.00 0.00 H new ATOM 1125 N GLU A 72 -3.956 14.873 -3.198 1.00 0.00 N ATOM 1126 CA GLU A 72 -5.246 15.496 -2.838 1.00 0.00 C ATOM 1127 C GLU A 72 -5.632 15.264 -1.362 1.00 0.00 C ATOM 1128 O GLU A 72 -5.878 16.216 -0.617 1.00 0.00 O ATOM 1129 CB GLU A 72 -6.358 14.950 -3.767 1.00 0.00 C ATOM 1130 CG GLU A 72 -6.111 15.191 -5.268 1.00 0.00 C ATOM 1131 CD GLU A 72 -5.905 16.679 -5.618 1.00 0.00 C ATOM 1132 OE1 GLU A 72 -6.908 17.414 -5.740 1.00 0.00 O ATOM 1133 OE2 GLU A 72 -4.745 17.132 -5.750 1.00 0.00 O ATOM 0 H GLU A 72 -4.042 13.919 -3.547 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.135 16.572 -2.969 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.463 13.879 -3.596 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.306 15.411 -3.489 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.233 14.626 -5.581 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.957 14.805 -5.836 1.00 0.00 H new ATOM 1140 N GLU A 73 -5.669 13.986 -0.958 1.00 0.00 N ATOM 1141 CA GLU A 73 -6.187 13.559 0.362 1.00 0.00 C ATOM 1142 C GLU A 73 -5.073 13.542 1.417 1.00 0.00 C ATOM 1143 O GLU A 73 -5.291 13.942 2.565 1.00 0.00 O ATOM 1144 CB GLU A 73 -6.851 12.154 0.249 1.00 0.00 C ATOM 1145 CG GLU A 73 -7.883 12.010 -0.893 1.00 0.00 C ATOM 1146 CD GLU A 73 -9.039 13.028 -0.819 1.00 0.00 C ATOM 1147 OE1 GLU A 73 -10.057 12.745 -0.159 1.00 0.00 O ATOM 1148 OE2 GLU A 73 -8.936 14.116 -1.423 1.00 0.00 O ATOM 0 H GLU A 73 -5.341 13.212 -1.535 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.938 14.281 0.682 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.068 11.409 0.107 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.343 11.924 1.194 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -7.372 12.124 -1.849 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.297 11.002 -0.871 1.00 0.00 H new ATOM 1155 N GLY A 74 -3.879 13.062 1.022 1.00 0.00 N ATOM 1156 CA GLY A 74 -2.719 13.013 1.920 1.00 0.00 C ATOM 1157 C GLY A 74 -1.867 14.272 1.825 1.00 0.00 C ATOM 1158 O GLY A 74 -2.287 15.259 1.212 1.00 0.00 O ATOM 0 H GLY A 74 -3.696 12.703 0.085 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -3.061 12.884 2.947 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -2.109 12.144 1.676 1.00 0.00 H new ATOM 1162 N THR A 75 -0.675 14.252 2.435 1.00 0.00 N ATOM 1163 CA THR A 75 0.287 15.365 2.343 1.00 0.00 C ATOM 1164 C THR A 75 1.316 15.074 1.231 1.00 0.00 C ATOM 1165 O THR A 75 1.332 13.970 0.666 1.00 0.00 O ATOM 1166 CB THR A 75 1.004 15.602 3.711 1.00 0.00 C ATOM 1167 OG1 THR A 75 1.709 14.419 4.117 1.00 0.00 O ATOM 1168 CG2 THR A 75 0.008 16.009 4.812 1.00 0.00 C ATOM 0 H THR A 75 -0.349 13.470 3.004 1.00 0.00 H new ATOM 0 HA THR A 75 -0.257 16.276 2.093 1.00 0.00 H new ATOM 0 HB THR A 75 1.711 16.420 3.570 1.00 0.00 H new ATOM 0 HG1 THR A 75 1.116 13.643 4.042 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.544 16.165 5.748 1.00 0.00 H new ATOM 0 HG22 THR A 75 -0.495 16.932 4.524 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.731 15.219 4.944 1.00 0.00 H new ATOM 1176 N GLN A 76 2.172 16.070 0.919 1.00 0.00 N ATOM 1177 CA GLN A 76 3.245 15.921 -0.083 1.00 0.00 C ATOM 1178 C GLN A 76 4.264 14.861 0.361 1.00 0.00 C ATOM 1179 O GLN A 76 4.890 14.226 -0.475 1.00 0.00 O ATOM 1180 CB GLN A 76 3.970 17.269 -0.334 1.00 0.00 C ATOM 1181 CG GLN A 76 5.031 17.223 -1.455 1.00 0.00 C ATOM 1182 CD GLN A 76 5.896 18.482 -1.535 1.00 0.00 C ATOM 1183 OE1 GLN A 76 6.940 18.572 -0.887 1.00 0.00 O ATOM 1184 NE2 GLN A 76 5.468 19.459 -2.320 1.00 0.00 N ATOM 0 H GLN A 76 2.138 16.993 1.352 1.00 0.00 H new ATOM 0 HA GLN A 76 2.779 15.598 -1.014 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.227 18.026 -0.584 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.450 17.587 0.591 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.676 16.359 -1.297 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.530 17.076 -2.412 1.00 0.00 H new ATOM 0 HE21 GLN A 76 4.599 19.350 -2.842 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.008 20.321 -2.402 1.00 0.00 H new ATOM 1193 N LYS A 77 4.415 14.691 1.684 1.00 0.00 N ATOM 1194 CA LYS A 77 5.301 13.674 2.269 1.00 0.00 C ATOM 1195 C LYS A 77 4.874 12.268 1.793 1.00 0.00 C ATOM 1196 O LYS A 77 5.701 11.499 1.302 1.00 0.00 O ATOM 1197 CB LYS A 77 5.274 13.757 3.815 1.00 0.00 C ATOM 1198 CG LYS A 77 6.283 12.816 4.523 1.00 0.00 C ATOM 1199 CD LYS A 77 6.198 12.883 6.064 1.00 0.00 C ATOM 1200 CE LYS A 77 6.445 14.293 6.613 1.00 0.00 C ATOM 1201 NZ LYS A 77 6.442 14.323 8.100 1.00 0.00 N ATOM 0 H LYS A 77 3.925 15.256 2.378 1.00 0.00 H new ATOM 0 HA LYS A 77 6.322 13.862 1.936 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.481 14.784 4.116 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.268 13.519 4.162 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.103 11.791 4.200 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.294 13.076 4.210 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.214 12.541 6.384 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.929 12.198 6.494 1.00 0.00 H new ATOM 0 HE2 LYS A 77 7.402 14.662 6.245 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.677 14.968 6.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 6.613 15.295 8.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.520 13.996 8.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 7.192 13.699 8.461 1.00 0.00 H new ATOM 1215 N ASP A 78 3.557 11.991 1.896 1.00 0.00 N ATOM 1216 CA ASP A 78 2.945 10.725 1.425 1.00 0.00 C ATOM 1217 C ASP A 78 3.173 10.542 -0.081 1.00 0.00 C ATOM 1218 O ASP A 78 3.562 9.460 -0.537 1.00 0.00 O ATOM 1219 CB ASP A 78 1.425 10.703 1.724 1.00 0.00 C ATOM 1220 CG ASP A 78 1.104 10.696 3.219 1.00 0.00 C ATOM 1221 OD1 ASP A 78 1.373 9.672 3.884 1.00 0.00 O ATOM 1222 OD2 ASP A 78 0.588 11.707 3.742 1.00 0.00 O ATOM 0 H ASP A 78 2.885 12.638 2.308 1.00 0.00 H new ATOM 0 HA ASP A 78 3.423 9.905 1.961 1.00 0.00 H new ATOM 0 HB2 ASP A 78 0.958 11.573 1.263 1.00 0.00 H new ATOM 0 HB3 ASP A 78 0.983 9.821 1.260 1.00 0.00 H new ATOM 1227 N LEU A 79 2.925 11.635 -0.824 1.00 0.00 N ATOM 1228 CA LEU A 79 3.109 11.704 -2.282 1.00 0.00 C ATOM 1229 C LEU A 79 4.546 11.318 -2.682 1.00 0.00 C ATOM 1230 O LEU A 79 4.748 10.468 -3.550 1.00 0.00 O ATOM 1231 CB LEU A 79 2.765 13.140 -2.772 1.00 0.00 C ATOM 1232 CG LEU A 79 2.892 13.403 -4.302 1.00 0.00 C ATOM 1233 CD1 LEU A 79 1.926 12.511 -5.102 1.00 0.00 C ATOM 1234 CD2 LEU A 79 2.681 14.898 -4.625 1.00 0.00 C ATOM 0 H LEU A 79 2.586 12.508 -0.421 1.00 0.00 H new ATOM 0 HA LEU A 79 2.438 10.989 -2.758 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.742 13.367 -2.471 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.414 13.843 -2.250 1.00 0.00 H new ATOM 0 HG LEU A 79 3.905 13.140 -4.605 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.038 12.717 -6.167 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.155 11.463 -4.909 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.901 12.720 -4.797 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.775 15.055 -5.700 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.687 15.204 -4.299 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.432 15.492 -4.105 1.00 0.00 H new ATOM 1246 N SER A 80 5.528 11.922 -1.993 1.00 0.00 N ATOM 1247 CA SER A 80 6.960 11.747 -2.270 1.00 0.00 C ATOM 1248 C SER A 80 7.423 10.313 -1.960 1.00 0.00 C ATOM 1249 O SER A 80 8.325 9.803 -2.618 1.00 0.00 O ATOM 1250 CB SER A 80 7.780 12.774 -1.459 1.00 0.00 C ATOM 1251 OG SER A 80 7.406 14.103 -1.789 1.00 0.00 O ATOM 0 H SER A 80 5.344 12.556 -1.215 1.00 0.00 H new ATOM 0 HA SER A 80 7.126 11.919 -3.333 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.628 12.604 -0.393 1.00 0.00 H new ATOM 0 HB3 SER A 80 8.843 12.633 -1.656 1.00 0.00 H new ATOM 0 HG SER A 80 6.538 14.309 -1.384 1.00 0.00 H new ATOM 1257 N GLU A 81 6.787 9.679 -0.956 1.00 0.00 N ATOM 1258 CA GLU A 81 7.060 8.279 -0.588 1.00 0.00 C ATOM 1259 C GLU A 81 6.667 7.322 -1.730 1.00 0.00 C ATOM 1260 O GLU A 81 7.425 6.422 -2.076 1.00 0.00 O ATOM 1261 CB GLU A 81 6.298 7.903 0.716 1.00 0.00 C ATOM 1262 CG GLU A 81 6.825 8.587 1.989 1.00 0.00 C ATOM 1263 CD GLU A 81 8.292 8.229 2.290 1.00 0.00 C ATOM 1264 OE1 GLU A 81 8.556 7.082 2.703 1.00 0.00 O ATOM 1265 OE2 GLU A 81 9.189 9.077 2.103 1.00 0.00 O ATOM 0 H GLU A 81 6.072 10.123 -0.380 1.00 0.00 H new ATOM 0 HA GLU A 81 8.131 8.178 -0.412 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.246 8.158 0.592 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.350 6.823 0.852 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.734 9.668 1.881 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.203 8.298 2.836 1.00 0.00 H new ATOM 1272 N LEU A 82 5.482 7.555 -2.304 1.00 0.00 N ATOM 1273 CA LEU A 82 4.895 6.703 -3.362 1.00 0.00 C ATOM 1274 C LEU A 82 5.603 6.883 -4.712 1.00 0.00 C ATOM 1275 O LEU A 82 5.802 5.912 -5.450 1.00 0.00 O ATOM 1276 CB LEU A 82 3.401 7.039 -3.482 1.00 0.00 C ATOM 1277 CG LEU A 82 2.577 6.735 -2.195 1.00 0.00 C ATOM 1278 CD1 LEU A 82 1.266 7.510 -2.179 1.00 0.00 C ATOM 1279 CD2 LEU A 82 2.317 5.226 -2.039 1.00 0.00 C ATOM 0 H LEU A 82 4.892 8.347 -2.050 1.00 0.00 H new ATOM 0 HA LEU A 82 5.027 5.657 -3.084 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.295 8.096 -3.727 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.978 6.475 -4.313 1.00 0.00 H new ATOM 0 HG LEU A 82 3.174 7.064 -1.344 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.716 7.275 -1.268 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.475 8.579 -2.211 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.668 7.231 -3.046 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.740 5.048 -1.132 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.758 4.862 -2.901 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.268 4.698 -1.973 1.00 0.00 H new ATOM 1291 N GLN A 83 5.976 8.141 -5.012 1.00 0.00 N ATOM 1292 CA GLN A 83 6.728 8.501 -6.228 1.00 0.00 C ATOM 1293 C GLN A 83 8.111 7.850 -6.194 1.00 0.00 C ATOM 1294 O GLN A 83 8.536 7.222 -7.169 1.00 0.00 O ATOM 1295 CB GLN A 83 6.864 10.045 -6.343 1.00 0.00 C ATOM 1296 CG GLN A 83 5.533 10.783 -6.591 1.00 0.00 C ATOM 1297 CD GLN A 83 5.632 12.310 -6.524 1.00 0.00 C ATOM 1298 OE1 GLN A 83 4.940 13.022 -7.249 1.00 0.00 O ATOM 1299 NE2 GLN A 83 6.456 12.828 -5.625 1.00 0.00 N ATOM 0 H GLN A 83 5.763 8.940 -4.415 1.00 0.00 H new ATOM 0 HA GLN A 83 6.185 8.136 -7.100 1.00 0.00 H new ATOM 0 HB2 GLN A 83 7.313 10.428 -5.426 1.00 0.00 H new ATOM 0 HB3 GLN A 83 7.552 10.278 -7.156 1.00 0.00 H new ATOM 0 HG2 GLN A 83 5.152 10.499 -7.572 1.00 0.00 H new ATOM 0 HG3 GLN A 83 4.803 10.446 -5.855 1.00 0.00 H new ATOM 0 HE21 GLN A 83 7.019 12.214 -5.036 1.00 0.00 H new ATOM 0 HE22 GLN A 83 6.527 13.840 -5.522 1.00 0.00 H new ATOM 1308 N ASP A 84 8.782 8.002 -5.042 1.00 0.00 N ATOM 1309 CA ASP A 84 10.109 7.419 -4.789 1.00 0.00 C ATOM 1310 C ASP A 84 10.063 5.888 -4.875 1.00 0.00 C ATOM 1311 O ASP A 84 10.933 5.267 -5.491 1.00 0.00 O ATOM 1312 CB ASP A 84 10.625 7.850 -3.397 1.00 0.00 C ATOM 1313 CG ASP A 84 11.966 7.207 -3.010 1.00 0.00 C ATOM 1314 OD1 ASP A 84 12.995 7.550 -3.628 1.00 0.00 O ATOM 1315 OD2 ASP A 84 12.000 6.367 -2.078 1.00 0.00 O ATOM 0 H ASP A 84 8.417 8.537 -4.254 1.00 0.00 H new ATOM 0 HA ASP A 84 10.791 7.787 -5.556 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.733 8.934 -3.379 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.878 7.592 -2.646 1.00 0.00 H new ATOM 1320 N ALA A 85 9.031 5.300 -4.259 1.00 0.00 N ATOM 1321 CA ALA A 85 8.889 3.848 -4.138 1.00 0.00 C ATOM 1322 C ALA A 85 8.711 3.170 -5.502 1.00 0.00 C ATOM 1323 O ALA A 85 9.336 2.140 -5.755 1.00 0.00 O ATOM 1324 CB ALA A 85 7.726 3.506 -3.200 1.00 0.00 C ATOM 0 H ALA A 85 8.268 5.823 -3.829 1.00 0.00 H new ATOM 0 HA ALA A 85 9.813 3.460 -3.710 1.00 0.00 H new ATOM 0 HB1 ALA A 85 7.631 2.423 -3.118 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.918 3.929 -2.214 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.801 3.922 -3.600 1.00 0.00 H new ATOM 1330 N LYS A 86 7.856 3.742 -6.368 1.00 0.00 N ATOM 1331 CA LYS A 86 7.626 3.182 -7.713 1.00 0.00 C ATOM 1332 C LYS A 86 8.853 3.340 -8.625 1.00 0.00 C ATOM 1333 O LYS A 86 9.170 2.407 -9.350 1.00 0.00 O ATOM 1334 CB LYS A 86 6.372 3.768 -8.410 1.00 0.00 C ATOM 1335 CG LYS A 86 6.383 5.294 -8.619 1.00 0.00 C ATOM 1336 CD LYS A 86 5.252 5.785 -9.547 1.00 0.00 C ATOM 1337 CE LYS A 86 5.372 5.210 -10.964 1.00 0.00 C ATOM 1338 NZ LYS A 86 4.391 5.808 -11.903 1.00 0.00 N ATOM 0 H LYS A 86 7.317 4.584 -6.164 1.00 0.00 H new ATOM 0 HA LYS A 86 7.447 2.119 -7.551 1.00 0.00 H new ATOM 0 HB2 LYS A 86 6.259 3.286 -9.381 1.00 0.00 H new ATOM 0 HB3 LYS A 86 5.494 3.506 -7.820 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.292 5.788 -7.652 1.00 0.00 H new ATOM 0 HG3 LYS A 86 7.344 5.591 -9.039 1.00 0.00 H new ATOM 0 HD2 LYS A 86 4.288 5.503 -9.123 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.272 6.874 -9.596 1.00 0.00 H new ATOM 0 HE2 LYS A 86 6.381 5.382 -11.339 1.00 0.00 H new ATOM 0 HE3 LYS A 86 5.225 4.131 -10.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.512 5.387 -12.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.426 5.622 -11.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.546 6.835 -11.960 1.00 0.00 H new ATOM 1352 N LEU A 87 9.558 4.501 -8.581 1.00 0.00 N ATOM 1353 CA LEU A 87 10.692 4.752 -9.504 1.00 0.00 C ATOM 1354 C LEU A 87 11.853 3.785 -9.219 1.00 0.00 C ATOM 1355 O LEU A 87 12.499 3.299 -10.154 1.00 0.00 O ATOM 1356 CB LEU A 87 11.129 6.265 -9.532 1.00 0.00 C ATOM 1357 CG LEU A 87 11.573 6.965 -8.194 1.00 0.00 C ATOM 1358 CD1 LEU A 87 13.006 6.603 -7.750 1.00 0.00 C ATOM 1359 CD2 LEU A 87 11.413 8.503 -8.281 1.00 0.00 C ATOM 0 H LEU A 87 9.365 5.262 -7.930 1.00 0.00 H new ATOM 0 HA LEU A 87 10.348 4.544 -10.517 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.955 6.354 -10.238 1.00 0.00 H new ATOM 0 HB3 LEU A 87 10.297 6.838 -9.941 1.00 0.00 H new ATOM 0 HG LEU A 87 10.901 6.577 -7.429 1.00 0.00 H new ATOM 0 HD11 LEU A 87 13.241 7.123 -6.821 1.00 0.00 H new ATOM 0 HD12 LEU A 87 13.077 5.527 -7.592 1.00 0.00 H new ATOM 0 HD13 LEU A 87 13.713 6.903 -8.523 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.728 8.955 -7.341 1.00 0.00 H new ATOM 0 HD22 LEU A 87 12.030 8.888 -9.093 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.368 8.750 -8.470 1.00 0.00 H new ATOM 1371 N LYS A 88 12.091 3.489 -7.924 1.00 0.00 N ATOM 1372 CA LYS A 88 13.128 2.532 -7.511 1.00 0.00 C ATOM 1373 C LYS A 88 12.666 1.077 -7.754 1.00 0.00 C ATOM 1374 O LYS A 88 13.492 0.201 -8.051 1.00 0.00 O ATOM 1375 CB LYS A 88 13.591 2.799 -6.042 1.00 0.00 C ATOM 1376 CG LYS A 88 12.546 2.633 -4.903 1.00 0.00 C ATOM 1377 CD LYS A 88 12.380 1.185 -4.405 1.00 0.00 C ATOM 1378 CE LYS A 88 11.350 1.080 -3.274 1.00 0.00 C ATOM 1379 NZ LYS A 88 11.201 -0.311 -2.804 1.00 0.00 N ATOM 0 H LYS A 88 11.575 3.903 -7.148 1.00 0.00 H new ATOM 0 HA LYS A 88 14.009 2.681 -8.135 1.00 0.00 H new ATOM 0 HB2 LYS A 88 14.425 2.131 -5.829 1.00 0.00 H new ATOM 0 HB3 LYS A 88 13.977 3.817 -5.994 1.00 0.00 H new ATOM 0 HG2 LYS A 88 12.838 3.263 -4.063 1.00 0.00 H new ATOM 0 HG3 LYS A 88 11.581 2.997 -5.255 1.00 0.00 H new ATOM 0 HD2 LYS A 88 12.072 0.549 -5.235 1.00 0.00 H new ATOM 0 HD3 LYS A 88 13.342 0.810 -4.055 1.00 0.00 H new ATOM 0 HE2 LYS A 88 11.655 1.715 -2.442 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.387 1.452 -3.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.208 -0.488 -2.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 11.489 -0.965 -3.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 11.802 -0.461 -1.969 1.00 0.00 H new ATOM 1393 N ALA A 89 11.341 0.820 -7.604 1.00 0.00 N ATOM 1394 CA ALA A 89 10.734 -0.501 -7.874 1.00 0.00 C ATOM 1395 C ALA A 89 10.844 -0.909 -9.347 1.00 0.00 C ATOM 1396 O ALA A 89 11.040 -2.086 -9.651 1.00 0.00 O ATOM 1397 CB ALA A 89 9.270 -0.532 -7.408 1.00 0.00 C ATOM 0 H ALA A 89 10.669 1.522 -7.294 1.00 0.00 H new ATOM 0 HA ALA A 89 11.302 -1.234 -7.300 1.00 0.00 H new ATOM 0 HB1 ALA A 89 8.843 -1.513 -7.616 1.00 0.00 H new ATOM 0 HB2 ALA A 89 9.225 -0.336 -6.337 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.702 0.231 -7.940 1.00 0.00 H new