USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 645 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 41 LYS NZ :NH3+ -170:sc= 1.43 (180deg=0.878) USER MOD Set 1.2: A 76 TYR OH : rot -30:sc= -1.52 USER MOD Set 2.1: A 24 THR OG1 : rot -120:sc= 0.205 USER MOD Set 2.2: A 66 HIS : no HD1:sc= 0.141 K(o=0.35,f=-0.59) USER MOD Single : A 11 THR OG1 : rot -81:sc= 0.412 USER MOD Single : A 16 ASN : amide:sc= -1.09 K(o=-1.1,f=-2.5!) USER MOD Single : A 20 MET CE :methyl -150:sc= -2.93! (180deg=-5.18!) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0961 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 CYS SG : rot 180:sc= -0.752 USER MOD Single : A 32 SER OG : rot 170:sc= 0.00437 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 61 CYS SG : rot 160:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 MET CE :methyl 169:sc= -0.862 (180deg=-1.34) USER MOD Single : A 73 ASN : amide:sc= 0.556 K(o=0.56,f=-5.1!) USER MOD Single : A 77 SER OG : rot 32:sc= 0.696 USER MOD Single : A 78 CYS SG : rot 112:sc= 0.0783 USER MOD Single : A 80 CYS SG : rot -20:sc= -2 USER MOD Single : A 82 GLN : amide:sc= -0.223 K(o=-0.22,f=-1.8) USER MOD Single : A 85 THR OG1 : rot 150:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ALA A 8 8.028 15.785 -3.505 1.00 0.00 N ATOM 67 CA ALA A 8 7.004 15.575 -2.489 1.00 0.00 C ATOM 68 C ALA A 8 7.536 14.722 -1.341 1.00 0.00 C ATOM 69 O ALA A 8 8.027 13.614 -1.555 1.00 0.00 O ATOM 70 CB ALA A 8 5.774 14.925 -3.105 1.00 0.00 C ATOM 0 HA ALA A 8 6.724 16.548 -2.085 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.018 14.774 -2.335 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.373 15.572 -3.885 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.049 13.963 -3.537 1.00 0.00 H new ATOM 76 N ARG A 9 7.436 15.247 -0.125 1.00 0.00 N ATOM 77 CA ARG A 9 7.909 14.535 1.056 1.00 0.00 C ATOM 78 C ARG A 9 6.770 13.765 1.719 1.00 0.00 C ATOM 79 O ARG A 9 5.615 14.191 1.683 1.00 0.00 O ATOM 80 CB ARG A 9 8.527 15.514 2.055 1.00 0.00 C ATOM 81 CG ARG A 9 7.501 16.357 2.796 1.00 0.00 C ATOM 82 CD ARG A 9 8.010 16.776 4.167 1.00 0.00 C ATOM 83 NE ARG A 9 7.026 17.572 4.896 1.00 0.00 N ATOM 84 CZ ARG A 9 6.776 18.850 4.635 1.00 0.00 C ATOM 85 NH1 ARG A 9 7.434 19.474 3.668 1.00 0.00 N ATOM 86 NH2 ARG A 9 5.865 19.506 5.343 1.00 0.00 N ATOM 0 H ARG A 9 7.032 16.163 0.069 1.00 0.00 H new ATOM 0 HA ARG A 9 8.670 13.822 0.739 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.118 14.955 2.781 1.00 0.00 H new ATOM 0 HB3 ARG A 9 9.214 16.175 1.526 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.264 17.244 2.208 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.576 15.792 2.907 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.260 15.888 4.748 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.929 17.351 4.052 1.00 0.00 H new ATOM 0 HE ARG A 9 6.502 17.122 5.647 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.135 18.973 3.122 1.00 0.00 H new ATOM 0 HH12 ARG A 9 7.240 20.456 3.470 1.00 0.00 H new ATOM 0 HH21 ARG A 9 5.357 19.029 6.088 1.00 0.00 H new ATOM 0 HH22 ARG A 9 5.673 20.488 5.143 1.00 0.00 H new ATOM 100 N PHE A 10 7.104 12.630 2.325 1.00 0.00 N ATOM 101 CA PHE A 10 6.110 11.800 2.995 1.00 0.00 C ATOM 102 C PHE A 10 5.814 12.330 4.395 1.00 0.00 C ATOM 103 O PHE A 10 6.648 12.236 5.297 1.00 0.00 O ATOM 104 CB PHE A 10 6.595 10.352 3.078 1.00 0.00 C ATOM 105 CG PHE A 10 6.280 9.543 1.852 1.00 0.00 C ATOM 106 CD1 PHE A 10 7.149 9.529 0.773 1.00 0.00 C ATOM 107 CD2 PHE A 10 5.114 8.798 1.778 1.00 0.00 C ATOM 108 CE1 PHE A 10 6.862 8.785 -0.357 1.00 0.00 C ATOM 109 CE2 PHE A 10 4.822 8.052 0.652 1.00 0.00 C ATOM 110 CZ PHE A 10 5.697 8.047 -0.417 1.00 0.00 C ATOM 0 H PHE A 10 8.055 12.264 2.366 1.00 0.00 H new ATOM 0 HA PHE A 10 5.191 11.835 2.410 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.673 10.347 3.240 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.140 9.874 3.946 1.00 0.00 H new ATOM 0 HD1 PHE A 10 8.061 10.106 0.815 1.00 0.00 H new ATOM 0 HD2 PHE A 10 4.425 8.800 2.610 1.00 0.00 H new ATOM 0 HE1 PHE A 10 7.548 8.781 -1.191 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.911 7.474 0.608 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.470 7.466 -1.299 1.00 0.00 H new ATOM 120 N THR A 11 4.620 12.888 4.571 1.00 0.00 N ATOM 121 CA THR A 11 4.213 13.435 5.859 1.00 0.00 C ATOM 122 C THR A 11 3.456 12.398 6.681 1.00 0.00 C ATOM 123 O THR A 11 3.512 12.407 7.910 1.00 0.00 O ATOM 124 CB THR A 11 3.328 14.683 5.685 1.00 0.00 C ATOM 125 OG1 THR A 11 2.711 15.023 6.932 1.00 0.00 O ATOM 126 CG2 THR A 11 2.257 14.444 4.632 1.00 0.00 C ATOM 0 H THR A 11 3.917 12.973 3.836 1.00 0.00 H new ATOM 0 HA THR A 11 5.125 13.717 6.386 1.00 0.00 H new ATOM 0 HB THR A 11 3.961 15.507 5.356 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.922 14.458 7.071 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.644 15.339 4.527 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.730 14.214 3.677 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.628 13.608 4.936 1.00 0.00 H new ATOM 134 N GLU A 12 2.748 11.507 5.995 1.00 0.00 N ATOM 135 CA GLU A 12 1.979 10.464 6.664 1.00 0.00 C ATOM 136 C GLU A 12 2.721 9.131 6.624 1.00 0.00 C ATOM 137 O GLU A 12 2.769 8.405 7.616 1.00 0.00 O ATOM 138 CB GLU A 12 0.604 10.314 6.010 1.00 0.00 C ATOM 139 CG GLU A 12 -0.459 11.215 6.616 1.00 0.00 C ATOM 140 CD GLU A 12 -0.037 12.670 6.658 1.00 0.00 C ATOM 141 OE1 GLU A 12 -0.301 13.394 5.675 1.00 0.00 O ATOM 142 OE2 GLU A 12 0.559 13.086 7.674 1.00 0.00 O ATOM 0 H GLU A 12 2.691 11.486 4.977 1.00 0.00 H new ATOM 0 HA GLU A 12 1.848 10.757 7.706 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.691 10.534 4.946 1.00 0.00 H new ATOM 0 HB3 GLU A 12 0.281 9.276 6.096 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.379 11.124 6.038 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.683 10.876 7.628 1.00 0.00 H new ATOM 149 N GLY A 13 3.298 8.815 5.469 1.00 0.00 N ATOM 150 CA GLY A 13 4.029 7.571 5.320 1.00 0.00 C ATOM 151 C GLY A 13 3.125 6.356 5.383 1.00 0.00 C ATOM 152 O GLY A 13 2.016 6.425 5.917 1.00 0.00 O ATOM 0 H GLY A 13 3.272 9.399 4.633 1.00 0.00 H new ATOM 0 HA2 GLY A 13 4.559 7.577 4.368 1.00 0.00 H new ATOM 0 HA3 GLY A 13 4.783 7.500 6.104 1.00 0.00 H new ATOM 156 N LEU A 14 3.596 5.240 4.837 1.00 0.00 N ATOM 157 CA LEU A 14 2.821 4.004 4.833 1.00 0.00 C ATOM 158 C LEU A 14 2.633 3.474 6.251 1.00 0.00 C ATOM 159 O LEU A 14 3.406 3.797 7.152 1.00 0.00 O ATOM 160 CB LEU A 14 3.513 2.949 3.969 1.00 0.00 C ATOM 161 CG LEU A 14 3.147 2.951 2.484 1.00 0.00 C ATOM 162 CD1 LEU A 14 4.127 2.100 1.692 1.00 0.00 C ATOM 163 CD2 LEU A 14 1.723 2.454 2.284 1.00 0.00 C ATOM 0 H LEU A 14 4.511 5.166 4.391 1.00 0.00 H new ATOM 0 HA LEU A 14 1.839 4.221 4.414 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.591 3.086 4.057 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.282 1.965 4.378 1.00 0.00 H new ATOM 0 HG LEU A 14 3.207 3.975 2.116 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.851 2.113 0.638 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.134 2.501 1.808 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.100 1.075 2.061 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.481 2.462 1.221 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.635 1.438 2.668 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.032 3.105 2.819 1.00 0.00 H new ATOM 175 N ARG A 15 1.602 2.657 6.439 1.00 0.00 N ATOM 176 CA ARG A 15 1.313 2.081 7.747 1.00 0.00 C ATOM 177 C ARG A 15 1.228 0.560 7.664 1.00 0.00 C ATOM 178 O ARG A 15 1.177 -0.011 6.576 1.00 0.00 O ATOM 179 CB ARG A 15 0.003 2.646 8.299 1.00 0.00 C ATOM 180 CG ARG A 15 0.151 4.019 8.934 1.00 0.00 C ATOM 181 CD ARG A 15 -0.046 5.129 7.914 1.00 0.00 C ATOM 182 NE ARG A 15 -1.381 5.099 7.323 1.00 0.00 N ATOM 183 CZ ARG A 15 -1.831 6.017 6.475 1.00 0.00 C ATOM 184 NH1 ARG A 15 -1.056 7.033 6.121 1.00 0.00 N ATOM 185 NH2 ARG A 15 -3.058 5.921 5.980 1.00 0.00 N ATOM 0 H ARG A 15 0.953 2.379 5.703 1.00 0.00 H new ATOM 0 HA ARG A 15 2.128 2.346 8.421 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -0.726 2.706 7.491 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -0.398 1.954 9.040 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.576 4.129 9.738 1.00 0.00 H new ATOM 0 HG3 ARG A 15 1.140 4.108 9.384 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.117 6.094 8.393 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.701 5.034 7.126 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.002 4.330 7.575 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.112 7.111 6.500 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -1.404 7.737 5.470 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.657 5.141 6.250 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -3.402 6.627 5.329 1.00 0.00 H new ATOM 199 N ASN A 16 1.214 -0.091 8.823 1.00 0.00 N ATOM 200 CA ASN A 16 1.136 -1.546 8.882 1.00 0.00 C ATOM 201 C ASN A 16 -0.217 -2.040 8.379 1.00 0.00 C ATOM 202 O ASN A 16 -1.239 -1.382 8.572 1.00 0.00 O ATOM 203 CB ASN A 16 1.369 -2.033 10.314 1.00 0.00 C ATOM 204 CG ASN A 16 0.336 -1.492 11.283 1.00 0.00 C ATOM 205 OD1 ASN A 16 -0.556 -0.735 10.899 1.00 0.00 O ATOM 206 ND2 ASN A 16 0.452 -1.879 12.548 1.00 0.00 N ATOM 0 H ASN A 16 1.256 0.366 9.734 1.00 0.00 H new ATOM 0 HA ASN A 16 1.914 -1.952 8.236 1.00 0.00 H new ATOM 0 HB2 ASN A 16 1.345 -3.123 10.333 1.00 0.00 H new ATOM 0 HB3 ASN A 16 2.364 -1.730 10.641 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -0.214 -1.548 13.246 1.00 0.00 H new ATOM 0 HD22 ASN A 16 1.207 -2.508 12.822 1.00 0.00 H new ATOM 213 N GLU A 17 -0.214 -3.202 7.734 1.00 0.00 N ATOM 214 CA GLU A 17 -1.442 -3.783 7.203 1.00 0.00 C ATOM 215 C GLU A 17 -1.656 -5.193 7.747 1.00 0.00 C ATOM 216 O GLU A 17 -0.739 -5.802 8.297 1.00 0.00 O ATOM 217 CB GLU A 17 -1.397 -3.816 5.674 1.00 0.00 C ATOM 218 CG GLU A 17 -2.720 -4.202 5.034 1.00 0.00 C ATOM 219 CD GLU A 17 -3.873 -3.342 5.515 1.00 0.00 C ATOM 220 OE1 GLU A 17 -3.842 -2.117 5.273 1.00 0.00 O ATOM 221 OE2 GLU A 17 -4.807 -3.894 6.134 1.00 0.00 O ATOM 0 H GLU A 17 0.624 -3.759 7.566 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.277 -3.159 7.521 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.098 -2.834 5.307 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.630 -4.522 5.357 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.634 -4.116 3.951 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.935 -5.248 5.254 1.00 0.00 H new ATOM 228 N GLU A 18 -2.873 -5.703 7.589 1.00 0.00 N ATOM 229 CA GLU A 18 -3.208 -7.040 8.065 1.00 0.00 C ATOM 230 C GLU A 18 -4.496 -7.541 7.418 1.00 0.00 C ATOM 231 O GLU A 18 -5.517 -6.856 7.431 1.00 0.00 O ATOM 232 CB GLU A 18 -3.356 -7.040 9.588 1.00 0.00 C ATOM 233 CG GLU A 18 -3.369 -8.432 10.198 1.00 0.00 C ATOM 234 CD GLU A 18 -3.268 -8.407 11.711 1.00 0.00 C ATOM 235 OE1 GLU A 18 -4.297 -8.151 12.370 1.00 0.00 O ATOM 236 OE2 GLU A 18 -2.159 -8.644 12.234 1.00 0.00 O ATOM 0 H GLU A 18 -3.643 -5.211 7.135 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.396 -7.712 7.785 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.537 -6.469 10.024 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.280 -6.527 9.855 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.287 -8.943 9.907 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.539 -9.010 9.792 1.00 0.00 H new ATOM 243 N ALA A 19 -4.438 -8.742 6.852 1.00 0.00 N ATOM 244 CA ALA A 19 -5.598 -9.337 6.201 1.00 0.00 C ATOM 245 C ALA A 19 -5.417 -10.840 6.022 1.00 0.00 C ATOM 246 O ALA A 19 -4.299 -11.324 5.849 1.00 0.00 O ATOM 247 CB ALA A 19 -5.849 -8.670 4.856 1.00 0.00 C ATOM 0 H ALA A 19 -3.599 -9.322 6.831 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.465 -9.176 6.842 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.718 -9.125 4.381 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.032 -7.606 5.006 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.976 -8.801 4.216 1.00 0.00 H new ATOM 253 N MET A 20 -6.524 -11.575 6.065 1.00 0.00 N ATOM 254 CA MET A 20 -6.486 -13.024 5.907 1.00 0.00 C ATOM 255 C MET A 20 -6.087 -13.405 4.485 1.00 0.00 C ATOM 256 O MET A 20 -6.301 -12.641 3.545 1.00 0.00 O ATOM 257 CB MET A 20 -7.849 -13.631 6.246 1.00 0.00 C ATOM 258 CG MET A 20 -8.022 -13.949 7.722 1.00 0.00 C ATOM 259 SD MET A 20 -9.141 -15.334 8.008 1.00 0.00 S ATOM 260 CE MET A 20 -7.982 -16.697 8.082 1.00 0.00 C ATOM 0 H MET A 20 -7.458 -11.191 6.208 1.00 0.00 H new ATOM 0 HA MET A 20 -5.738 -13.420 6.594 1.00 0.00 H new ATOM 0 HB2 MET A 20 -8.633 -12.939 5.937 1.00 0.00 H new ATOM 0 HB3 MET A 20 -7.985 -14.545 5.667 1.00 0.00 H new ATOM 0 HG2 MET A 20 -7.049 -14.177 8.157 1.00 0.00 H new ATOM 0 HG3 MET A 20 -8.402 -13.067 8.237 1.00 0.00 H new ATOM 0 HE1 MET A 20 -8.467 -17.606 7.726 1.00 0.00 H new ATOM 0 HE2 MET A 20 -7.119 -16.476 7.453 1.00 0.00 H new ATOM 0 HE3 MET A 20 -7.653 -16.840 9.111 1.00 0.00 H new ATOM 270 N GLU A 21 -5.504 -14.591 4.337 1.00 0.00 N ATOM 271 CA GLU A 21 -5.074 -15.072 3.029 1.00 0.00 C ATOM 272 C GLU A 21 -6.253 -15.152 2.064 1.00 0.00 C ATOM 273 O GLU A 21 -7.341 -15.593 2.431 1.00 0.00 O ATOM 274 CB GLU A 21 -4.412 -16.445 3.158 1.00 0.00 C ATOM 275 CG GLU A 21 -4.564 -17.313 1.920 1.00 0.00 C ATOM 276 CD GLU A 21 -3.939 -18.684 2.089 1.00 0.00 C ATOM 277 OE1 GLU A 21 -2.694 -18.775 2.084 1.00 0.00 O ATOM 278 OE2 GLU A 21 -4.697 -19.668 2.226 1.00 0.00 O ATOM 0 H GLU A 21 -5.319 -15.235 5.106 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.348 -14.363 2.630 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.351 -16.309 3.368 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.842 -16.967 4.013 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.623 -17.427 1.688 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.104 -16.810 1.069 1.00 0.00 H new ATOM 285 N GLY A 22 -6.028 -14.722 0.826 1.00 0.00 N ATOM 286 CA GLY A 22 -7.080 -14.753 -0.173 1.00 0.00 C ATOM 287 C GLY A 22 -7.841 -13.444 -0.254 1.00 0.00 C ATOM 288 O GLY A 22 -8.443 -13.131 -1.281 1.00 0.00 O ATOM 0 H GLY A 22 -5.136 -14.353 0.497 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.645 -14.978 -1.147 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.775 -15.560 0.060 1.00 0.00 H new ATOM 292 N ALA A 23 -7.816 -12.679 0.832 1.00 0.00 N ATOM 293 CA ALA A 23 -8.508 -11.397 0.879 1.00 0.00 C ATOM 294 C ALA A 23 -7.812 -10.364 0.001 1.00 0.00 C ATOM 295 O ALA A 23 -6.842 -10.675 -0.692 1.00 0.00 O ATOM 296 CB ALA A 23 -8.598 -10.899 2.314 1.00 0.00 C ATOM 0 H ALA A 23 -7.324 -12.925 1.691 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.517 -11.542 0.492 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.117 -9.941 2.335 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.147 -11.622 2.916 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.594 -10.777 2.720 1.00 0.00 H new ATOM 302 N THR A 24 -8.312 -9.133 0.032 1.00 0.00 N ATOM 303 CA THR A 24 -7.739 -8.054 -0.762 1.00 0.00 C ATOM 304 C THR A 24 -7.159 -6.962 0.129 1.00 0.00 C ATOM 305 O THR A 24 -7.896 -6.183 0.733 1.00 0.00 O ATOM 306 CB THR A 24 -8.788 -7.430 -1.702 1.00 0.00 C ATOM 307 OG1 THR A 24 -9.398 -8.449 -2.501 1.00 0.00 O ATOM 308 CG2 THR A 24 -8.152 -6.383 -2.604 1.00 0.00 C ATOM 0 H THR A 24 -9.114 -8.858 0.599 1.00 0.00 H new ATOM 0 HA THR A 24 -6.940 -8.493 -1.360 1.00 0.00 H new ATOM 0 HB THR A 24 -9.549 -6.945 -1.090 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.245 -8.256 -3.450 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.912 -5.957 -3.259 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.715 -5.593 -1.993 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.373 -6.848 -3.208 1.00 0.00 H new ATOM 316 N ALA A 25 -5.833 -6.912 0.208 1.00 0.00 N ATOM 317 CA ALA A 25 -5.154 -5.913 1.024 1.00 0.00 C ATOM 318 C ALA A 25 -5.387 -4.508 0.480 1.00 0.00 C ATOM 319 O ALA A 25 -5.638 -4.326 -0.712 1.00 0.00 O ATOM 320 CB ALA A 25 -3.664 -6.213 1.094 1.00 0.00 C ATOM 0 H ALA A 25 -5.208 -7.551 -0.283 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.571 -5.958 2.030 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.169 -5.459 1.706 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.511 -7.197 1.537 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.242 -6.198 0.089 1.00 0.00 H new ATOM 326 N THR A 26 -5.304 -3.516 1.361 1.00 0.00 N ATOM 327 CA THR A 26 -5.508 -2.127 0.969 1.00 0.00 C ATOM 328 C THR A 26 -4.670 -1.185 1.827 1.00 0.00 C ATOM 329 O THR A 26 -4.939 -1.007 3.016 1.00 0.00 O ATOM 330 CB THR A 26 -6.990 -1.723 1.081 1.00 0.00 C ATOM 331 OG1 THR A 26 -7.827 -2.837 0.751 1.00 0.00 O ATOM 332 CG2 THR A 26 -7.304 -0.555 0.159 1.00 0.00 C ATOM 0 H THR A 26 -5.097 -3.649 2.351 1.00 0.00 H new ATOM 0 HA THR A 26 -5.194 -2.043 -0.071 1.00 0.00 H new ATOM 0 HB THR A 26 -7.184 -1.415 2.109 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.768 -2.573 0.826 1.00 0.00 H new ATOM 0 HG21 THR A 26 -8.356 -0.288 0.256 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.686 0.300 0.432 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.095 -0.839 -0.872 1.00 0.00 H new ATOM 340 N LEU A 27 -3.655 -0.582 1.217 1.00 0.00 N ATOM 341 CA LEU A 27 -2.778 0.343 1.926 1.00 0.00 C ATOM 342 C LEU A 27 -3.241 1.784 1.738 1.00 0.00 C ATOM 343 O LEU A 27 -4.265 2.039 1.103 1.00 0.00 O ATOM 344 CB LEU A 27 -1.338 0.190 1.433 1.00 0.00 C ATOM 345 CG LEU A 27 -0.595 -1.058 1.909 1.00 0.00 C ATOM 346 CD1 LEU A 27 0.480 -1.454 0.909 1.00 0.00 C ATOM 347 CD2 LEU A 27 0.014 -0.824 3.284 1.00 0.00 C ATOM 0 H LEU A 27 -3.419 -0.717 0.234 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.820 0.103 2.988 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.346 0.190 0.343 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.772 1.067 1.747 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.311 -1.876 1.985 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.998 -2.344 1.265 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.019 -1.664 -0.056 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.194 -0.638 0.800 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.539 -1.723 3.607 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.716 0.008 3.234 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.776 -0.590 3.997 1.00 0.00 H new ATOM 359 N GLN A 28 -2.480 2.722 2.292 1.00 0.00 N ATOM 360 CA GLN A 28 -2.812 4.138 2.183 1.00 0.00 C ATOM 361 C GLN A 28 -1.666 5.007 2.690 1.00 0.00 C ATOM 362 O GLN A 28 -1.042 4.698 3.706 1.00 0.00 O ATOM 363 CB GLN A 28 -4.087 4.446 2.970 1.00 0.00 C ATOM 364 CG GLN A 28 -4.741 5.761 2.579 1.00 0.00 C ATOM 365 CD GLN A 28 -6.210 5.815 2.949 1.00 0.00 C ATOM 366 OE1 GLN A 28 -6.578 5.631 4.109 1.00 0.00 O ATOM 367 NE2 GLN A 28 -7.060 6.069 1.961 1.00 0.00 N ATOM 0 H GLN A 28 -1.630 2.527 2.821 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.978 4.366 1.130 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.801 3.636 2.820 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -3.851 4.470 4.034 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.217 6.582 3.067 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.635 5.910 1.504 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.712 6.215 1.014 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -8.061 6.118 2.150 1.00 0.00 H new ATOM 376 N CYS A 29 -1.393 6.093 1.976 1.00 0.00 N ATOM 377 CA CYS A 29 -0.320 7.006 2.352 1.00 0.00 C ATOM 378 C CYS A 29 -0.549 8.390 1.754 1.00 0.00 C ATOM 379 O CYS A 29 -0.966 8.518 0.603 1.00 0.00 O ATOM 380 CB CYS A 29 1.031 6.456 1.894 1.00 0.00 C ATOM 381 SG CYS A 29 1.039 5.842 0.193 1.00 0.00 S ATOM 0 H CYS A 29 -1.900 6.363 1.133 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.317 7.096 3.438 1.00 0.00 H new ATOM 0 HB2 CYS A 29 1.782 7.240 1.989 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.328 5.648 2.562 1.00 0.00 H new ATOM 0 HG CYS A 29 2.225 5.399 -0.103 1.00 0.00 H new ATOM 387 N GLU A 30 -0.275 9.424 2.544 1.00 0.00 N ATOM 388 CA GLU A 30 -0.454 10.799 2.092 1.00 0.00 C ATOM 389 C GLU A 30 0.895 11.482 1.881 1.00 0.00 C ATOM 390 O GLU A 30 1.841 11.258 2.637 1.00 0.00 O ATOM 391 CB GLU A 30 -1.285 11.588 3.105 1.00 0.00 C ATOM 392 CG GLU A 30 -2.082 12.724 2.485 1.00 0.00 C ATOM 393 CD GLU A 30 -3.124 13.289 3.431 1.00 0.00 C ATOM 394 OE1 GLU A 30 -2.798 13.490 4.620 1.00 0.00 O ATOM 395 OE2 GLU A 30 -4.264 13.530 2.983 1.00 0.00 O ATOM 0 H GLU A 30 0.071 9.336 3.499 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.983 10.776 1.139 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.971 10.907 3.609 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.622 11.995 3.868 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.400 13.519 2.184 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.574 12.367 1.580 1.00 0.00 H new ATOM 402 N LEU A 31 0.974 12.315 0.849 1.00 0.00 N ATOM 403 CA LEU A 31 2.206 13.031 0.538 1.00 0.00 C ATOM 404 C LEU A 31 2.014 14.537 0.691 1.00 0.00 C ATOM 405 O LEU A 31 0.918 15.057 0.484 1.00 0.00 O ATOM 406 CB LEU A 31 2.662 12.706 -0.886 1.00 0.00 C ATOM 407 CG LEU A 31 3.079 11.257 -1.142 1.00 0.00 C ATOM 408 CD1 LEU A 31 2.981 10.928 -2.624 1.00 0.00 C ATOM 409 CD2 LEU A 31 4.492 11.011 -0.632 1.00 0.00 C ATOM 0 H LEU A 31 0.200 12.511 0.214 1.00 0.00 H new ATOM 0 HA LEU A 31 2.973 12.708 1.242 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.853 12.957 -1.572 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.502 13.354 -1.134 1.00 0.00 H new ATOM 0 HG LEU A 31 2.398 10.601 -0.599 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.281 9.893 -2.788 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.953 11.065 -2.960 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.638 11.590 -3.188 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.772 9.975 -0.822 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.186 11.675 -1.148 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.531 11.206 0.440 1.00 0.00 H new ATOM 421 N SER A 32 3.088 15.231 1.053 1.00 0.00 N ATOM 422 CA SER A 32 3.038 16.677 1.235 1.00 0.00 C ATOM 423 C SER A 32 2.197 17.333 0.144 1.00 0.00 C ATOM 424 O SER A 32 1.559 18.362 0.369 1.00 0.00 O ATOM 425 CB SER A 32 4.451 17.263 1.228 1.00 0.00 C ATOM 426 OG SER A 32 4.974 17.316 -0.088 1.00 0.00 O ATOM 0 H SER A 32 4.003 14.815 1.226 1.00 0.00 H new ATOM 0 HA SER A 32 2.573 16.881 2.200 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.435 18.265 1.657 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.103 16.657 1.858 1.00 0.00 H new ATOM 0 HG SER A 32 5.804 17.837 -0.089 1.00 0.00 H new ATOM 432 N LYS A 33 2.202 16.731 -1.040 1.00 0.00 N ATOM 433 CA LYS A 33 1.440 17.253 -2.168 1.00 0.00 C ATOM 434 C LYS A 33 1.390 16.240 -3.307 1.00 0.00 C ATOM 435 O LYS A 33 2.359 15.522 -3.555 1.00 0.00 O ATOM 436 CB LYS A 33 2.056 18.564 -2.663 1.00 0.00 C ATOM 437 CG LYS A 33 3.462 18.404 -3.215 1.00 0.00 C ATOM 438 CD LYS A 33 4.200 19.731 -3.253 1.00 0.00 C ATOM 439 CE LYS A 33 4.717 20.122 -1.877 1.00 0.00 C ATOM 440 NZ LYS A 33 5.021 21.577 -1.790 1.00 0.00 N ATOM 0 H LYS A 33 2.726 15.880 -1.244 1.00 0.00 H new ATOM 0 HA LYS A 33 0.421 17.442 -1.830 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.416 18.987 -3.438 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.076 19.279 -1.841 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.017 17.695 -2.600 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.414 17.984 -4.220 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.035 19.664 -3.951 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.534 20.508 -3.627 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.975 19.861 -1.123 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.616 19.549 -1.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.371 21.802 -0.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.748 21.822 -2.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.157 22.124 -1.980 1.00 0.00 H new ATOM 454 N ALA A 34 0.256 16.189 -3.999 1.00 0.00 N ATOM 455 CA ALA A 34 0.083 15.267 -5.114 1.00 0.00 C ATOM 456 C ALA A 34 1.374 15.120 -5.912 1.00 0.00 C ATOM 457 O ALA A 34 1.909 16.100 -6.430 1.00 0.00 O ATOM 458 CB ALA A 34 -1.048 15.738 -6.017 1.00 0.00 C ATOM 0 H ALA A 34 -0.556 16.776 -3.807 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.174 14.289 -4.708 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.166 15.040 -6.846 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.975 15.783 -5.445 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.814 16.728 -6.407 1.00 0.00 H new ATOM 464 N ALA A 35 1.870 13.891 -6.006 1.00 0.00 N ATOM 465 CA ALA A 35 3.098 13.617 -6.742 1.00 0.00 C ATOM 466 C ALA A 35 3.120 12.182 -7.258 1.00 0.00 C ATOM 467 O ALA A 35 2.599 11.262 -6.627 1.00 0.00 O ATOM 468 CB ALA A 35 4.311 13.882 -5.862 1.00 0.00 C ATOM 0 H ALA A 35 1.440 13.069 -5.582 1.00 0.00 H new ATOM 0 HA ALA A 35 3.134 14.285 -7.602 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.221 13.673 -6.424 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.311 14.925 -5.546 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.271 13.237 -4.984 1.00 0.00 H new ATOM 474 N PRO A 36 3.736 11.984 -8.433 1.00 0.00 N ATOM 475 CA PRO A 36 3.840 10.663 -9.059 1.00 0.00 C ATOM 476 C PRO A 36 4.779 9.733 -8.299 1.00 0.00 C ATOM 477 O PRO A 36 5.924 10.087 -8.015 1.00 0.00 O ATOM 478 CB PRO A 36 4.404 10.973 -10.448 1.00 0.00 C ATOM 479 CG PRO A 36 5.136 12.260 -10.282 1.00 0.00 C ATOM 480 CD PRO A 36 4.379 13.035 -9.239 1.00 0.00 C ATOM 0 HA PRO A 36 2.881 10.145 -9.078 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.069 10.181 -10.791 1.00 0.00 H new ATOM 0 HB3 PRO A 36 3.608 11.063 -11.187 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.165 12.086 -9.968 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.178 12.809 -11.223 1.00 0.00 H new ATOM 0 HD2 PRO A 36 5.044 13.653 -8.636 1.00 0.00 H new ATOM 0 HD3 PRO A 36 3.644 13.702 -9.689 1.00 0.00 H new ATOM 488 N VAL A 37 4.289 8.542 -7.972 1.00 0.00 N ATOM 489 CA VAL A 37 5.085 7.560 -7.245 1.00 0.00 C ATOM 490 C VAL A 37 5.113 6.224 -7.979 1.00 0.00 C ATOM 491 O VAL A 37 4.458 6.056 -9.007 1.00 0.00 O ATOM 492 CB VAL A 37 4.542 7.340 -5.821 1.00 0.00 C ATOM 493 CG1 VAL A 37 4.427 8.664 -5.082 1.00 0.00 C ATOM 494 CG2 VAL A 37 3.198 6.628 -5.868 1.00 0.00 C ATOM 0 H VAL A 37 3.344 8.233 -8.199 1.00 0.00 H new ATOM 0 HA VAL A 37 6.098 7.958 -7.181 1.00 0.00 H new ATOM 0 HB VAL A 37 5.244 6.708 -5.277 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.042 8.488 -4.078 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.410 9.131 -5.017 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.747 9.324 -5.621 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.829 6.481 -4.853 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.485 7.233 -6.429 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.316 5.660 -6.355 1.00 0.00 H new ATOM 504 N GLU A 38 5.876 5.276 -7.443 1.00 0.00 N ATOM 505 CA GLU A 38 5.989 3.954 -8.048 1.00 0.00 C ATOM 506 C GLU A 38 6.124 2.876 -6.977 1.00 0.00 C ATOM 507 O GLU A 38 7.007 2.942 -6.122 1.00 0.00 O ATOM 508 CB GLU A 38 7.191 3.903 -8.993 1.00 0.00 C ATOM 509 CG GLU A 38 7.425 2.532 -9.606 1.00 0.00 C ATOM 510 CD GLU A 38 6.679 2.343 -10.913 1.00 0.00 C ATOM 511 OE1 GLU A 38 7.138 2.882 -11.942 1.00 0.00 O ATOM 512 OE2 GLU A 38 5.637 1.655 -10.906 1.00 0.00 O ATOM 0 H GLU A 38 6.424 5.399 -6.592 1.00 0.00 H new ATOM 0 HA GLU A 38 5.080 3.764 -8.618 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.045 4.629 -9.793 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.085 4.205 -8.447 1.00 0.00 H new ATOM 0 HG2 GLU A 38 8.492 2.392 -9.777 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.112 1.764 -8.899 1.00 0.00 H new ATOM 519 N TRP A 39 5.242 1.884 -7.030 1.00 0.00 N ATOM 520 CA TRP A 39 5.262 0.791 -6.064 1.00 0.00 C ATOM 521 C TRP A 39 6.206 -0.318 -6.516 1.00 0.00 C ATOM 522 O TRP A 39 6.211 -0.702 -7.686 1.00 0.00 O ATOM 523 CB TRP A 39 3.852 0.230 -5.869 1.00 0.00 C ATOM 524 CG TRP A 39 2.866 1.254 -5.395 1.00 0.00 C ATOM 525 CD1 TRP A 39 2.184 2.153 -6.165 1.00 0.00 C ATOM 526 CD2 TRP A 39 2.453 1.485 -4.044 1.00 0.00 C ATOM 527 NE1 TRP A 39 1.372 2.929 -5.373 1.00 0.00 N ATOM 528 CE2 TRP A 39 1.518 2.538 -4.069 1.00 0.00 C ATOM 529 CE3 TRP A 39 2.780 0.903 -2.816 1.00 0.00 C ATOM 530 CZ2 TRP A 39 0.909 3.020 -2.913 1.00 0.00 C ATOM 531 CZ3 TRP A 39 2.175 1.383 -1.670 1.00 0.00 C ATOM 532 CH2 TRP A 39 1.248 2.432 -1.724 1.00 0.00 C ATOM 0 H TRP A 39 4.504 1.814 -7.731 1.00 0.00 H new ATOM 0 HA TRP A 39 5.623 1.185 -5.114 1.00 0.00 H new ATOM 0 HB2 TRP A 39 3.503 -0.191 -6.812 1.00 0.00 H new ATOM 0 HB3 TRP A 39 3.890 -0.588 -5.149 1.00 0.00 H new ATOM 0 HD1 TRP A 39 2.270 2.241 -7.238 1.00 0.00 H new ATOM 0 HE1 TRP A 39 0.760 3.675 -5.703 1.00 0.00 H new ATOM 0 HE3 TRP A 39 3.492 0.093 -2.764 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 0.195 3.829 -2.953 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 2.421 0.942 -0.716 1.00 0.00 H new ATOM 0 HH2 TRP A 39 0.792 2.784 -0.810 1.00 0.00 H new ATOM 543 N ARG A 40 7.002 -0.828 -5.583 1.00 0.00 N ATOM 544 CA ARG A 40 7.951 -1.892 -5.887 1.00 0.00 C ATOM 545 C ARG A 40 7.921 -2.972 -4.809 1.00 0.00 C ATOM 546 O ARG A 40 7.844 -2.673 -3.617 1.00 0.00 O ATOM 547 CB ARG A 40 9.365 -1.323 -6.014 1.00 0.00 C ATOM 548 CG ARG A 40 9.586 -0.520 -7.286 1.00 0.00 C ATOM 549 CD ARG A 40 11.055 -0.177 -7.479 1.00 0.00 C ATOM 550 NE ARG A 40 11.611 0.520 -6.323 1.00 0.00 N ATOM 551 CZ ARG A 40 12.911 0.736 -6.150 1.00 0.00 C ATOM 552 NH1 ARG A 40 13.783 0.312 -7.054 1.00 0.00 N ATOM 553 NH2 ARG A 40 13.340 1.378 -5.071 1.00 0.00 N ATOM 0 H ARG A 40 7.009 -0.522 -4.610 1.00 0.00 H new ATOM 0 HA ARG A 40 7.661 -2.342 -6.837 1.00 0.00 H new ATOM 0 HB2 ARG A 40 9.571 -0.687 -5.153 1.00 0.00 H new ATOM 0 HB3 ARG A 40 10.082 -2.143 -5.983 1.00 0.00 H new ATOM 0 HG2 ARG A 40 9.228 -1.089 -8.144 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.999 0.398 -7.245 1.00 0.00 H new ATOM 0 HD2 ARG A 40 11.620 -1.092 -7.657 1.00 0.00 H new ATOM 0 HD3 ARG A 40 11.168 0.446 -8.367 1.00 0.00 H new ATOM 0 HE ARG A 40 10.967 0.860 -5.609 1.00 0.00 H new ATOM 0 HH11 ARG A 40 13.457 -0.181 -7.885 1.00 0.00 H new ATOM 0 HH12 ARG A 40 14.780 0.479 -6.919 1.00 0.00 H new ATOM 0 HH21 ARG A 40 12.672 1.706 -4.374 1.00 0.00 H new ATOM 0 HH22 ARG A 40 14.338 1.543 -4.939 1.00 0.00 H new ATOM 567 N LYS A 41 7.981 -4.229 -5.236 1.00 0.00 N ATOM 568 CA LYS A 41 7.962 -5.354 -4.308 1.00 0.00 C ATOM 569 C LYS A 41 9.148 -6.281 -4.553 1.00 0.00 C ATOM 570 O LYS A 41 9.438 -6.647 -5.691 1.00 0.00 O ATOM 571 CB LYS A 41 6.653 -6.135 -4.449 1.00 0.00 C ATOM 572 CG LYS A 41 6.627 -7.427 -3.651 1.00 0.00 C ATOM 573 CD LYS A 41 6.352 -7.168 -2.180 1.00 0.00 C ATOM 574 CE LYS A 41 5.970 -8.447 -1.451 1.00 0.00 C ATOM 575 NZ LYS A 41 4.597 -8.901 -1.807 1.00 0.00 N ATOM 0 H LYS A 41 8.043 -4.494 -6.219 1.00 0.00 H new ATOM 0 HA LYS A 41 8.035 -4.959 -3.295 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.826 -5.502 -4.127 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.488 -6.365 -5.502 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.861 -8.089 -4.054 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.582 -7.941 -3.759 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.236 -6.733 -1.715 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.548 -6.438 -2.082 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.686 -9.232 -1.695 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.031 -8.283 -0.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.310 -9.671 -1.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.933 -8.107 -1.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.588 -9.243 -2.789 1.00 0.00 H new ATOM 589 N GLY A 42 9.831 -6.658 -3.476 1.00 0.00 N ATOM 590 CA GLY A 42 10.977 -7.541 -3.595 1.00 0.00 C ATOM 591 C GLY A 42 11.973 -7.060 -4.631 1.00 0.00 C ATOM 592 O GLY A 42 12.433 -7.838 -5.469 1.00 0.00 O ATOM 0 H GLY A 42 9.611 -6.368 -2.523 1.00 0.00 H new ATOM 0 HA2 GLY A 42 11.473 -7.620 -2.628 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.635 -8.541 -3.861 1.00 0.00 H new ATOM 596 N LEU A 43 12.306 -5.775 -4.578 1.00 0.00 N ATOM 597 CA LEU A 43 13.254 -5.191 -5.521 1.00 0.00 C ATOM 598 C LEU A 43 12.802 -5.421 -6.960 1.00 0.00 C ATOM 599 O LEU A 43 13.613 -5.732 -7.832 1.00 0.00 O ATOM 600 CB LEU A 43 14.647 -5.786 -5.310 1.00 0.00 C ATOM 601 CG LEU A 43 15.467 -5.186 -4.167 1.00 0.00 C ATOM 602 CD1 LEU A 43 15.745 -3.713 -4.426 1.00 0.00 C ATOM 603 CD2 LEU A 43 14.747 -5.370 -2.840 1.00 0.00 C ATOM 0 H LEU A 43 11.934 -5.118 -3.892 1.00 0.00 H new ATOM 0 HA LEU A 43 13.294 -4.117 -5.339 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.540 -6.856 -5.131 1.00 0.00 H new ATOM 0 HB3 LEU A 43 15.213 -5.673 -6.235 1.00 0.00 H new ATOM 0 HG LEU A 43 16.421 -5.711 -4.115 1.00 0.00 H new ATOM 0 HD11 LEU A 43 16.329 -3.303 -3.602 1.00 0.00 H new ATOM 0 HD12 LEU A 43 16.304 -3.606 -5.356 1.00 0.00 H new ATOM 0 HD13 LEU A 43 14.801 -3.173 -4.505 1.00 0.00 H new ATOM 0 HD21 LEU A 43 15.345 -4.937 -2.038 1.00 0.00 H new ATOM 0 HD22 LEU A 43 13.778 -4.872 -2.880 1.00 0.00 H new ATOM 0 HD23 LEU A 43 14.601 -6.433 -2.650 1.00 0.00 H new ATOM 615 N GLU A 44 11.504 -5.264 -7.200 1.00 0.00 N ATOM 616 CA GLU A 44 10.946 -5.454 -8.534 1.00 0.00 C ATOM 617 C GLU A 44 9.960 -4.341 -8.874 1.00 0.00 C ATOM 618 O GLU A 44 9.304 -3.787 -7.992 1.00 0.00 O ATOM 619 CB GLU A 44 10.252 -6.814 -8.631 1.00 0.00 C ATOM 620 CG GLU A 44 9.827 -7.180 -10.044 1.00 0.00 C ATOM 621 CD GLU A 44 9.589 -8.668 -10.214 1.00 0.00 C ATOM 622 OE1 GLU A 44 10.193 -9.455 -9.455 1.00 0.00 O ATOM 623 OE2 GLU A 44 8.801 -9.045 -11.106 1.00 0.00 O ATOM 0 H GLU A 44 10.820 -5.006 -6.489 1.00 0.00 H new ATOM 0 HA GLU A 44 11.766 -5.421 -9.252 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.924 -7.584 -8.252 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.374 -6.811 -7.985 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.915 -6.639 -10.297 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.595 -6.856 -10.746 1.00 0.00 H new ATOM 630 N ALA A 45 9.861 -4.018 -10.159 1.00 0.00 N ATOM 631 CA ALA A 45 8.954 -2.973 -10.617 1.00 0.00 C ATOM 632 C ALA A 45 7.547 -3.522 -10.831 1.00 0.00 C ATOM 633 O ALA A 45 7.342 -4.441 -11.625 1.00 0.00 O ATOM 634 CB ALA A 45 9.478 -2.344 -11.900 1.00 0.00 C ATOM 0 H ALA A 45 10.398 -4.465 -10.902 1.00 0.00 H new ATOM 0 HA ALA A 45 8.903 -2.206 -9.844 1.00 0.00 H new ATOM 0 HB1 ALA A 45 8.791 -1.565 -12.231 1.00 0.00 H new ATOM 0 HB2 ALA A 45 10.460 -1.908 -11.717 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.559 -3.108 -12.673 1.00 0.00 H new ATOM 640 N LEU A 46 6.581 -2.953 -10.119 1.00 0.00 N ATOM 641 CA LEU A 46 5.192 -3.386 -10.230 1.00 0.00 C ATOM 642 C LEU A 46 4.478 -2.641 -11.354 1.00 0.00 C ATOM 643 O LEU A 46 4.856 -1.525 -11.710 1.00 0.00 O ATOM 644 CB LEU A 46 4.459 -3.159 -8.907 1.00 0.00 C ATOM 645 CG LEU A 46 5.006 -3.919 -7.698 1.00 0.00 C ATOM 646 CD1 LEU A 46 4.326 -3.451 -6.421 1.00 0.00 C ATOM 647 CD2 LEU A 46 4.824 -5.418 -7.882 1.00 0.00 C ATOM 0 H LEU A 46 6.734 -2.191 -9.459 1.00 0.00 H new ATOM 0 HA LEU A 46 5.187 -4.451 -10.463 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.480 -2.093 -8.681 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.413 -3.435 -9.042 1.00 0.00 H new ATOM 0 HG LEU A 46 6.073 -3.711 -7.615 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.728 -4.003 -5.571 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.509 -2.386 -6.281 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.253 -3.629 -6.494 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.219 -5.942 -7.012 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.764 -5.645 -7.992 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.359 -5.743 -8.775 1.00 0.00 H new ATOM 659 N ARG A 47 3.444 -3.266 -11.906 1.00 0.00 N ATOM 660 CA ARG A 47 2.676 -2.662 -12.989 1.00 0.00 C ATOM 661 C ARG A 47 1.198 -2.569 -12.621 1.00 0.00 C ATOM 662 O ARG A 47 0.624 -3.510 -12.072 1.00 0.00 O ATOM 663 CB ARG A 47 2.843 -3.474 -14.275 1.00 0.00 C ATOM 664 CG ARG A 47 2.062 -4.778 -14.277 1.00 0.00 C ATOM 665 CD ARG A 47 2.751 -5.838 -15.122 1.00 0.00 C ATOM 666 NE ARG A 47 4.045 -6.226 -14.565 1.00 0.00 N ATOM 667 CZ ARG A 47 4.810 -7.182 -15.081 1.00 0.00 C ATOM 668 NH1 ARG A 47 4.414 -7.843 -16.160 1.00 0.00 N ATOM 669 NH2 ARG A 47 5.974 -7.478 -14.517 1.00 0.00 N ATOM 0 H ARG A 47 3.118 -4.190 -11.622 1.00 0.00 H new ATOM 0 HA ARG A 47 3.056 -1.653 -13.152 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.523 -2.867 -15.122 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.901 -3.693 -14.422 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.953 -5.140 -13.255 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.057 -4.601 -14.661 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.110 -6.716 -15.195 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.891 -5.460 -16.135 1.00 0.00 H new ATOM 0 HE ARG A 47 4.379 -5.736 -13.735 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.520 -7.618 -16.596 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.004 -8.576 -16.554 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.282 -6.972 -13.687 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.561 -8.212 -14.914 1.00 0.00 H new ATOM 683 N ASP A 48 0.588 -1.429 -12.927 1.00 0.00 N ATOM 684 CA ASP A 48 -0.823 -1.213 -12.629 1.00 0.00 C ATOM 685 C ASP A 48 -1.699 -1.671 -13.791 1.00 0.00 C ATOM 686 O ASP A 48 -1.390 -1.415 -14.954 1.00 0.00 O ATOM 687 CB ASP A 48 -1.082 0.264 -12.330 1.00 0.00 C ATOM 688 CG ASP A 48 -0.473 1.182 -13.371 1.00 0.00 C ATOM 689 OD1 ASP A 48 -0.418 0.783 -14.553 1.00 0.00 O ATOM 690 OD2 ASP A 48 -0.050 2.298 -13.004 1.00 0.00 O ATOM 0 H ASP A 48 1.049 -0.640 -13.381 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.079 -1.804 -11.749 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.157 0.438 -12.281 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.674 0.510 -11.350 1.00 0.00 H new ATOM 695 N GLY A 49 -2.795 -2.352 -13.466 1.00 0.00 N ATOM 696 CA GLY A 49 -3.699 -2.836 -14.493 1.00 0.00 C ATOM 697 C GLY A 49 -4.792 -3.724 -13.932 1.00 0.00 C ATOM 698 O GLY A 49 -5.859 -3.241 -13.553 1.00 0.00 O ATOM 0 H GLY A 49 -3.072 -2.577 -12.510 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.152 -1.986 -15.004 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.132 -3.391 -15.240 1.00 0.00 H new ATOM 702 N ASP A 50 -4.526 -5.024 -13.881 1.00 0.00 N ATOM 703 CA ASP A 50 -5.496 -5.982 -13.363 1.00 0.00 C ATOM 704 C ASP A 50 -5.082 -6.482 -11.982 1.00 0.00 C ATOM 705 O ASP A 50 -5.776 -6.250 -10.992 1.00 0.00 O ATOM 706 CB ASP A 50 -5.642 -7.163 -14.324 1.00 0.00 C ATOM 707 CG ASP A 50 -6.853 -8.019 -14.010 1.00 0.00 C ATOM 708 OD1 ASP A 50 -7.987 -7.543 -14.226 1.00 0.00 O ATOM 709 OD2 ASP A 50 -6.668 -9.164 -13.547 1.00 0.00 O ATOM 0 H ASP A 50 -3.648 -5.439 -14.192 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.457 -5.476 -13.273 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.720 -6.789 -15.345 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.744 -7.779 -14.277 1.00 0.00 H new ATOM 714 N LYS A 51 -3.947 -7.170 -11.924 1.00 0.00 N ATOM 715 CA LYS A 51 -3.439 -7.703 -10.665 1.00 0.00 C ATOM 716 C LYS A 51 -3.416 -6.624 -9.587 1.00 0.00 C ATOM 717 O LYS A 51 -4.131 -6.715 -8.589 1.00 0.00 O ATOM 718 CB LYS A 51 -2.032 -8.274 -10.860 1.00 0.00 C ATOM 719 CG LYS A 51 -1.365 -8.702 -9.565 1.00 0.00 C ATOM 720 CD LYS A 51 -1.790 -10.102 -9.154 1.00 0.00 C ATOM 721 CE LYS A 51 -1.320 -10.437 -7.747 1.00 0.00 C ATOM 722 NZ LYS A 51 -1.280 -11.907 -7.512 1.00 0.00 N ATOM 0 H LYS A 51 -3.361 -7.372 -12.734 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.107 -8.501 -10.341 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.087 -9.131 -11.531 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.409 -7.525 -11.349 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.282 -8.670 -9.685 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.619 -7.997 -8.774 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.876 -10.183 -9.205 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.383 -10.828 -9.857 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.328 -10.016 -7.586 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.986 -9.971 -7.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.955 -12.095 -6.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.232 -12.305 -7.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.625 -12.349 -8.188 1.00 0.00 H new ATOM 736 N TYR A 52 -2.591 -5.604 -9.795 1.00 0.00 N ATOM 737 CA TYR A 52 -2.475 -4.508 -8.840 1.00 0.00 C ATOM 738 C TYR A 52 -3.305 -3.308 -9.285 1.00 0.00 C ATOM 739 O TYR A 52 -3.070 -2.735 -10.349 1.00 0.00 O ATOM 740 CB TYR A 52 -1.010 -4.097 -8.679 1.00 0.00 C ATOM 741 CG TYR A 52 -0.125 -5.206 -8.157 1.00 0.00 C ATOM 742 CD1 TYR A 52 -0.170 -5.586 -6.821 1.00 0.00 C ATOM 743 CD2 TYR A 52 0.758 -5.872 -8.998 1.00 0.00 C ATOM 744 CE1 TYR A 52 0.637 -6.598 -6.339 1.00 0.00 C ATOM 745 CE2 TYR A 52 1.568 -6.886 -8.525 1.00 0.00 C ATOM 746 CZ TYR A 52 1.504 -7.245 -7.194 1.00 0.00 C ATOM 747 OH TYR A 52 2.311 -8.254 -6.719 1.00 0.00 O ATOM 0 H TYR A 52 -1.993 -5.513 -10.616 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.856 -4.855 -7.879 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.627 -3.761 -9.643 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.952 -3.247 -7.999 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.848 -5.081 -6.148 1.00 0.00 H new ATOM 0 HD2 TYR A 52 0.812 -5.592 -10.040 1.00 0.00 H new ATOM 0 HE1 TYR A 52 0.589 -6.881 -5.298 1.00 0.00 H new ATOM 0 HE2 TYR A 52 2.247 -7.395 -9.193 1.00 0.00 H new ATOM 0 HH TYR A 52 2.861 -8.605 -7.450 1.00 0.00 H new ATOM 757 N SER A 53 -4.278 -2.932 -8.461 1.00 0.00 N ATOM 758 CA SER A 53 -5.147 -1.802 -8.769 1.00 0.00 C ATOM 759 C SER A 53 -4.698 -0.551 -8.018 1.00 0.00 C ATOM 760 O SER A 53 -4.720 -0.510 -6.787 1.00 0.00 O ATOM 761 CB SER A 53 -6.597 -2.133 -8.410 1.00 0.00 C ATOM 762 OG SER A 53 -7.499 -1.282 -9.096 1.00 0.00 O ATOM 0 H SER A 53 -4.484 -3.393 -7.575 1.00 0.00 H new ATOM 0 HA SER A 53 -5.081 -1.606 -9.839 1.00 0.00 H new ATOM 0 HB2 SER A 53 -6.809 -3.172 -8.662 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.741 -2.030 -7.335 1.00 0.00 H new ATOM 0 HG SER A 53 -8.419 -1.515 -8.851 1.00 0.00 H new ATOM 768 N LEU A 54 -4.291 0.467 -8.768 1.00 0.00 N ATOM 769 CA LEU A 54 -3.837 1.720 -8.175 1.00 0.00 C ATOM 770 C LEU A 54 -4.919 2.790 -8.269 1.00 0.00 C ATOM 771 O LEU A 54 -5.507 3.002 -9.329 1.00 0.00 O ATOM 772 CB LEU A 54 -2.563 2.204 -8.872 1.00 0.00 C ATOM 773 CG LEU A 54 -1.307 1.366 -8.631 1.00 0.00 C ATOM 774 CD1 LEU A 54 -0.929 1.381 -7.158 1.00 0.00 C ATOM 775 CD2 LEU A 54 -1.518 -0.061 -9.116 1.00 0.00 C ATOM 0 H LEU A 54 -4.266 0.449 -9.788 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.622 1.539 -7.122 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.751 2.240 -9.945 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.362 3.225 -8.549 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.486 1.804 -9.199 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.033 0.779 -7.006 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.735 2.406 -6.842 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.747 0.968 -6.568 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.614 -0.644 -8.937 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.352 -0.509 -8.576 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.739 -0.054 -10.183 1.00 0.00 H new ATOM 787 N ARG A 55 -5.176 3.464 -7.152 1.00 0.00 N ATOM 788 CA ARG A 55 -6.187 4.513 -7.108 1.00 0.00 C ATOM 789 C ARG A 55 -5.656 5.750 -6.388 1.00 0.00 C ATOM 790 O ARG A 55 -5.559 5.770 -5.161 1.00 0.00 O ATOM 791 CB ARG A 55 -7.449 4.006 -6.409 1.00 0.00 C ATOM 792 CG ARG A 55 -8.450 5.103 -6.087 1.00 0.00 C ATOM 793 CD ARG A 55 -9.869 4.561 -6.020 1.00 0.00 C ATOM 794 NE ARG A 55 -10.866 5.628 -6.074 1.00 0.00 N ATOM 795 CZ ARG A 55 -12.158 5.416 -6.296 1.00 0.00 C ATOM 796 NH1 ARG A 55 -12.608 4.183 -6.483 1.00 0.00 N ATOM 797 NH2 ARG A 55 -13.003 6.438 -6.331 1.00 0.00 N ATOM 0 H ARG A 55 -4.698 3.302 -6.266 1.00 0.00 H new ATOM 0 HA ARG A 55 -6.434 4.788 -8.133 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -7.931 3.261 -7.043 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -7.165 3.503 -5.485 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.191 5.565 -5.135 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -8.393 5.883 -6.846 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -10.032 3.870 -6.847 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -9.997 3.992 -5.099 1.00 0.00 H new ATOM 0 HE ARG A 55 -10.552 6.588 -5.933 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -11.961 3.395 -6.457 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.601 4.023 -6.653 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -12.661 7.388 -6.187 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -13.995 6.274 -6.502 1.00 0.00 H new ATOM 811 N GLN A 56 -5.314 6.776 -7.159 1.00 0.00 N ATOM 812 CA GLN A 56 -4.793 8.015 -6.594 1.00 0.00 C ATOM 813 C GLN A 56 -5.907 9.039 -6.405 1.00 0.00 C ATOM 814 O GLN A 56 -6.752 9.221 -7.281 1.00 0.00 O ATOM 815 CB GLN A 56 -3.702 8.593 -7.498 1.00 0.00 C ATOM 816 CG GLN A 56 -2.800 9.596 -6.798 1.00 0.00 C ATOM 817 CD GLN A 56 -1.684 10.100 -7.691 1.00 0.00 C ATOM 818 OE1 GLN A 56 -1.828 10.156 -8.913 1.00 0.00 O ATOM 819 NE2 GLN A 56 -0.562 10.472 -7.085 1.00 0.00 N ATOM 0 H GLN A 56 -5.388 6.774 -8.176 1.00 0.00 H new ATOM 0 HA GLN A 56 -4.365 7.787 -5.618 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -3.092 7.777 -7.885 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -4.170 9.075 -8.356 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -3.398 10.442 -6.458 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -2.369 9.133 -5.910 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.486 10.409 -6.070 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.223 10.821 -7.635 1.00 0.00 H new ATOM 828 N ASP A 57 -5.903 9.704 -5.255 1.00 0.00 N ATOM 829 CA ASP A 57 -6.913 10.710 -4.950 1.00 0.00 C ATOM 830 C ASP A 57 -6.263 12.011 -4.488 1.00 0.00 C ATOM 831 O ASP A 57 -6.435 12.431 -3.344 1.00 0.00 O ATOM 832 CB ASP A 57 -7.870 10.194 -3.874 1.00 0.00 C ATOM 833 CG ASP A 57 -8.818 9.136 -4.402 1.00 0.00 C ATOM 834 OD1 ASP A 57 -8.989 9.055 -5.637 1.00 0.00 O ATOM 835 OD2 ASP A 57 -9.391 8.389 -3.582 1.00 0.00 O ATOM 0 H ASP A 57 -5.211 9.564 -4.519 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.477 10.910 -5.861 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.293 9.781 -3.047 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -8.447 11.028 -3.475 1.00 0.00 H new ATOM 840 N GLY A 58 -5.514 12.644 -5.386 1.00 0.00 N ATOM 841 CA GLY A 58 -4.848 13.889 -5.051 1.00 0.00 C ATOM 842 C GLY A 58 -4.064 13.798 -3.757 1.00 0.00 C ATOM 843 O GLY A 58 -4.619 13.978 -2.673 1.00 0.00 O ATOM 0 H GLY A 58 -5.357 12.317 -6.339 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.174 14.166 -5.862 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.590 14.683 -4.967 1.00 0.00 H new ATOM 847 N ALA A 59 -2.770 13.515 -3.869 1.00 0.00 N ATOM 848 CA ALA A 59 -1.909 13.401 -2.699 1.00 0.00 C ATOM 849 C ALA A 59 -2.318 12.215 -1.831 1.00 0.00 C ATOM 850 O ALA A 59 -2.091 12.212 -0.621 1.00 0.00 O ATOM 851 CB ALA A 59 -1.946 14.688 -1.888 1.00 0.00 C ATOM 0 H ALA A 59 -2.295 13.361 -4.759 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.889 13.232 -3.044 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.298 14.588 -1.017 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.599 15.517 -2.505 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.967 14.882 -1.560 1.00 0.00 H new ATOM 857 N VAL A 60 -2.921 11.209 -2.457 1.00 0.00 N ATOM 858 CA VAL A 60 -3.361 10.017 -1.741 1.00 0.00 C ATOM 859 C VAL A 60 -3.209 8.771 -2.605 1.00 0.00 C ATOM 860 O VAL A 60 -3.929 8.594 -3.589 1.00 0.00 O ATOM 861 CB VAL A 60 -4.828 10.142 -1.292 1.00 0.00 C ATOM 862 CG1 VAL A 60 -5.246 8.922 -0.485 1.00 0.00 C ATOM 863 CG2 VAL A 60 -5.033 11.418 -0.488 1.00 0.00 C ATOM 0 H VAL A 60 -3.116 11.196 -3.458 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.726 9.924 -0.860 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.458 10.194 -2.180 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.286 9.029 -0.176 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.139 8.027 -1.097 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.613 8.835 0.398 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.076 11.490 -0.179 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.393 11.399 0.394 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.777 12.281 -1.103 1.00 0.00 H new ATOM 873 N CYS A 61 -2.270 7.909 -2.231 1.00 0.00 N ATOM 874 CA CYS A 61 -2.024 6.677 -2.973 1.00 0.00 C ATOM 875 C CYS A 61 -2.636 5.479 -2.255 1.00 0.00 C ATOM 876 O CYS A 61 -2.372 5.249 -1.075 1.00 0.00 O ATOM 877 CB CYS A 61 -0.521 6.462 -3.160 1.00 0.00 C ATOM 878 SG CYS A 61 0.386 7.955 -3.627 1.00 0.00 S ATOM 0 H CYS A 61 -1.667 8.040 -1.419 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.495 6.770 -3.952 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -0.103 6.071 -2.233 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -0.366 5.701 -3.925 1.00 0.00 H new ATOM 0 HG CYS A 61 1.647 7.800 -3.353 1.00 0.00 H new ATOM 884 N GLU A 62 -3.455 4.719 -2.975 1.00 0.00 N ATOM 885 CA GLU A 62 -4.107 3.546 -2.405 1.00 0.00 C ATOM 886 C GLU A 62 -3.786 2.296 -3.220 1.00 0.00 C ATOM 887 O GLU A 62 -4.260 2.137 -4.346 1.00 0.00 O ATOM 888 CB GLU A 62 -5.622 3.755 -2.345 1.00 0.00 C ATOM 889 CG GLU A 62 -6.334 2.780 -1.422 1.00 0.00 C ATOM 890 CD GLU A 62 -7.832 3.013 -1.372 1.00 0.00 C ATOM 891 OE1 GLU A 62 -8.245 4.143 -1.035 1.00 0.00 O ATOM 892 OE2 GLU A 62 -8.590 2.068 -1.670 1.00 0.00 O ATOM 0 H GLU A 62 -3.683 4.895 -3.954 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.727 3.406 -1.393 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.827 4.773 -2.013 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.034 3.658 -3.350 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.139 1.761 -1.756 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.922 2.870 -0.417 1.00 0.00 H new ATOM 899 N LEU A 63 -2.979 1.412 -2.644 1.00 0.00 N ATOM 900 CA LEU A 63 -2.594 0.176 -3.315 1.00 0.00 C ATOM 901 C LEU A 63 -3.540 -0.962 -2.946 1.00 0.00 C ATOM 902 O LEU A 63 -3.790 -1.215 -1.768 1.00 0.00 O ATOM 903 CB LEU A 63 -1.158 -0.200 -2.949 1.00 0.00 C ATOM 904 CG LEU A 63 -0.626 -1.496 -3.563 1.00 0.00 C ATOM 905 CD1 LEU A 63 -0.588 -1.392 -5.079 1.00 0.00 C ATOM 906 CD2 LEU A 63 0.757 -1.818 -3.014 1.00 0.00 C ATOM 0 H LEU A 63 -2.578 1.529 -1.713 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.657 0.341 -4.391 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.502 0.617 -3.249 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.090 -0.281 -1.864 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.301 -2.308 -3.292 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.207 -2.323 -5.498 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.594 -1.209 -5.456 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.064 -0.569 -5.371 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.120 -2.743 -3.462 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.442 -1.005 -3.255 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.700 -1.936 -1.932 1.00 0.00 H new ATOM 918 N GLN A 64 -4.061 -1.645 -3.960 1.00 0.00 N ATOM 919 CA GLN A 64 -4.978 -2.757 -3.741 1.00 0.00 C ATOM 920 C GLN A 64 -4.428 -4.044 -4.348 1.00 0.00 C ATOM 921 O GLN A 64 -4.142 -4.104 -5.544 1.00 0.00 O ATOM 922 CB GLN A 64 -6.349 -2.441 -4.342 1.00 0.00 C ATOM 923 CG GLN A 64 -7.250 -1.642 -3.414 1.00 0.00 C ATOM 924 CD GLN A 64 -8.684 -1.581 -3.903 1.00 0.00 C ATOM 925 OE1 GLN A 64 -9.106 -0.592 -4.503 1.00 0.00 O ATOM 926 NE2 GLN A 64 -9.441 -2.641 -3.648 1.00 0.00 N ATOM 0 H GLN A 64 -3.864 -1.448 -4.941 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.085 -2.901 -2.666 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.211 -1.884 -5.269 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.846 -3.375 -4.602 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.228 -2.088 -2.420 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.859 -0.629 -3.318 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.049 -3.439 -3.148 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -10.414 -2.658 -3.953 1.00 0.00 H new ATOM 935 N ILE A 65 -4.282 -5.069 -3.516 1.00 0.00 N ATOM 936 CA ILE A 65 -3.768 -6.355 -3.972 1.00 0.00 C ATOM 937 C ILE A 65 -4.844 -7.433 -3.904 1.00 0.00 C ATOM 938 O ILE A 65 -5.390 -7.714 -2.837 1.00 0.00 O ATOM 939 CB ILE A 65 -2.554 -6.803 -3.136 1.00 0.00 C ATOM 940 CG1 ILE A 65 -1.514 -5.683 -3.066 1.00 0.00 C ATOM 941 CG2 ILE A 65 -1.942 -8.065 -3.726 1.00 0.00 C ATOM 942 CD1 ILE A 65 -0.432 -5.927 -2.038 1.00 0.00 C ATOM 0 H ILE A 65 -4.512 -5.035 -2.523 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.457 -6.222 -5.008 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.891 -7.024 -2.123 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.052 -5.565 -4.046 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -2.018 -4.744 -2.836 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.085 -8.369 -3.125 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -2.685 -8.863 -3.729 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.617 -7.868 -4.748 1.00 0.00 H new ATOM 0 HD11 ILE A 65 0.270 -5.093 -2.044 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.883 -6.015 -1.049 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.098 -6.849 -2.279 1.00 0.00 H new ATOM 954 N HIS A 66 -5.142 -8.036 -5.050 1.00 0.00 N ATOM 955 CA HIS A 66 -6.151 -9.087 -5.121 1.00 0.00 C ATOM 956 C HIS A 66 -5.524 -10.459 -4.897 1.00 0.00 C ATOM 957 O HIS A 66 -4.325 -10.646 -5.103 1.00 0.00 O ATOM 958 CB HIS A 66 -6.860 -9.052 -6.475 1.00 0.00 C ATOM 959 CG HIS A 66 -7.854 -7.939 -6.603 1.00 0.00 C ATOM 960 ND1 HIS A 66 -8.781 -7.642 -5.626 1.00 0.00 N ATOM 961 CD2 HIS A 66 -8.063 -7.048 -7.600 1.00 0.00 C ATOM 962 CE1 HIS A 66 -9.517 -6.618 -6.017 1.00 0.00 C ATOM 963 NE2 HIS A 66 -9.101 -6.238 -7.212 1.00 0.00 N ATOM 0 H HIS A 66 -4.699 -7.815 -5.942 1.00 0.00 H new ATOM 0 HA HIS A 66 -6.882 -8.908 -4.332 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -6.114 -8.954 -7.264 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -7.369 -10.003 -6.634 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -7.515 -6.986 -8.528 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -10.322 -6.168 -5.455 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -9.488 -5.468 -7.758 1.00 0.00 H new ATOM 971 N GLY A 67 -6.343 -11.417 -4.473 1.00 0.00 N ATOM 972 CA GLY A 67 -5.849 -12.760 -4.227 1.00 0.00 C ATOM 973 C GLY A 67 -4.616 -12.772 -3.346 1.00 0.00 C ATOM 974 O GLY A 67 -3.493 -12.898 -3.838 1.00 0.00 O ATOM 0 H GLY A 67 -7.339 -11.287 -4.296 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -6.634 -13.352 -3.756 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.617 -13.238 -5.179 1.00 0.00 H new ATOM 978 N LEU A 68 -4.822 -12.638 -2.040 1.00 0.00 N ATOM 979 CA LEU A 68 -3.716 -12.633 -1.088 1.00 0.00 C ATOM 980 C LEU A 68 -3.183 -14.044 -0.865 1.00 0.00 C ATOM 981 O LEU A 68 -3.942 -15.012 -0.861 1.00 0.00 O ATOM 982 CB LEU A 68 -4.167 -12.029 0.243 1.00 0.00 C ATOM 983 CG LEU A 68 -3.993 -10.517 0.388 1.00 0.00 C ATOM 984 CD1 LEU A 68 -4.769 -10.003 1.590 1.00 0.00 C ATOM 985 CD2 LEU A 68 -2.519 -10.159 0.509 1.00 0.00 C ATOM 0 H LEU A 68 -5.744 -12.531 -1.616 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.913 -12.024 -1.503 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.220 -12.269 0.389 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.614 -12.517 1.046 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.390 -10.037 -0.507 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.633 -8.925 1.677 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.828 -10.226 1.462 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.403 -10.489 2.494 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.414 -9.079 0.611 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.096 -10.649 1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.989 -10.492 -0.384 1.00 0.00 H new ATOM 997 N ALA A 69 -1.872 -14.153 -0.677 1.00 0.00 N ATOM 998 CA ALA A 69 -1.237 -15.445 -0.449 1.00 0.00 C ATOM 999 C ALA A 69 0.047 -15.291 0.359 1.00 0.00 C ATOM 1000 O ALA A 69 0.654 -14.220 0.379 1.00 0.00 O ATOM 1001 CB ALA A 69 -0.949 -16.133 -1.775 1.00 0.00 C ATOM 0 H ALA A 69 -1.229 -13.361 -0.678 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.925 -16.064 0.127 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.475 -17.097 -1.589 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.883 -16.286 -2.316 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.283 -15.510 -2.371 1.00 0.00 H new ATOM 1007 N MET A 70 0.455 -16.366 1.024 1.00 0.00 N ATOM 1008 CA MET A 70 1.668 -16.350 1.834 1.00 0.00 C ATOM 1009 C MET A 70 2.775 -15.564 1.138 1.00 0.00 C ATOM 1010 O MET A 70 3.422 -14.713 1.748 1.00 0.00 O ATOM 1011 CB MET A 70 2.140 -17.778 2.114 1.00 0.00 C ATOM 1012 CG MET A 70 1.192 -18.567 3.003 1.00 0.00 C ATOM 1013 SD MET A 70 1.381 -18.164 4.750 1.00 0.00 S ATOM 1014 CE MET A 70 -0.181 -17.353 5.081 1.00 0.00 C ATOM 0 H MET A 70 -0.036 -17.260 1.018 1.00 0.00 H new ATOM 0 HA MET A 70 1.437 -15.860 2.780 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.260 -18.305 1.167 1.00 0.00 H new ATOM 0 HB3 MET A 70 3.122 -17.742 2.586 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.165 -18.369 2.698 1.00 0.00 H new ATOM 0 HG3 MET A 70 1.368 -19.633 2.859 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.301 -17.219 6.156 1.00 0.00 H new ATOM 0 HE2 MET A 70 -0.197 -16.380 4.590 1.00 0.00 H new ATOM 0 HE3 MET A 70 -0.997 -17.966 4.699 1.00 0.00 H new ATOM 1024 N ALA A 71 2.987 -15.855 -0.141 1.00 0.00 N ATOM 1025 CA ALA A 71 4.014 -15.174 -0.920 1.00 0.00 C ATOM 1026 C ALA A 71 3.935 -13.663 -0.730 1.00 0.00 C ATOM 1027 O ALA A 71 4.957 -12.993 -0.573 1.00 0.00 O ATOM 1028 CB ALA A 71 3.883 -15.530 -2.393 1.00 0.00 C ATOM 0 H ALA A 71 2.461 -16.558 -0.660 1.00 0.00 H new ATOM 0 HA ALA A 71 4.988 -15.509 -0.562 1.00 0.00 H new ATOM 0 HB1 ALA A 71 4.656 -15.014 -2.962 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.997 -16.607 -2.519 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.901 -15.225 -2.755 1.00 0.00 H new ATOM 1034 N ASP A 72 2.718 -13.132 -0.746 1.00 0.00 N ATOM 1035 CA ASP A 72 2.506 -11.699 -0.576 1.00 0.00 C ATOM 1036 C ASP A 72 3.327 -11.164 0.593 1.00 0.00 C ATOM 1037 O ASP A 72 4.001 -10.142 0.474 1.00 0.00 O ATOM 1038 CB ASP A 72 1.022 -11.405 -0.350 1.00 0.00 C ATOM 1039 CG ASP A 72 0.172 -11.761 -1.554 1.00 0.00 C ATOM 1040 OD1 ASP A 72 0.475 -12.776 -2.215 1.00 0.00 O ATOM 1041 OD2 ASP A 72 -0.796 -11.023 -1.836 1.00 0.00 O ATOM 0 H ASP A 72 1.863 -13.672 -0.875 1.00 0.00 H new ATOM 0 HA ASP A 72 2.833 -11.197 -1.487 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.671 -11.965 0.517 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.895 -10.347 -0.119 1.00 0.00 H new ATOM 1046 N ASN A 73 3.264 -11.862 1.723 1.00 0.00 N ATOM 1047 CA ASN A 73 4.000 -11.455 2.914 1.00 0.00 C ATOM 1048 C ASN A 73 5.373 -10.903 2.543 1.00 0.00 C ATOM 1049 O ASN A 73 6.182 -11.589 1.919 1.00 0.00 O ATOM 1050 CB ASN A 73 4.156 -12.639 3.871 1.00 0.00 C ATOM 1051 CG ASN A 73 2.876 -12.944 4.625 1.00 0.00 C ATOM 1052 OD1 ASN A 73 2.374 -12.112 5.381 1.00 0.00 O ATOM 1053 ND2 ASN A 73 2.342 -14.143 4.423 1.00 0.00 N ATOM 0 H ASN A 73 2.711 -12.711 1.838 1.00 0.00 H new ATOM 0 HA ASN A 73 3.433 -10.667 3.410 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.462 -13.521 3.308 1.00 0.00 H new ATOM 0 HB3 ASN A 73 4.952 -12.424 4.584 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.481 -14.406 4.904 1.00 0.00 H new ATOM 0 HD22 ASN A 73 2.792 -14.801 3.787 1.00 0.00 H new ATOM 1060 N GLY A 74 5.629 -9.658 2.933 1.00 0.00 N ATOM 1061 CA GLY A 74 6.905 -9.034 2.633 1.00 0.00 C ATOM 1062 C GLY A 74 6.943 -7.572 3.028 1.00 0.00 C ATOM 1063 O GLY A 74 6.138 -7.120 3.843 1.00 0.00 O ATOM 0 H GLY A 74 4.976 -9.070 3.451 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.699 -9.569 3.155 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.108 -9.124 1.566 1.00 0.00 H new ATOM 1067 N VAL A 75 7.882 -6.828 2.451 1.00 0.00 N ATOM 1068 CA VAL A 75 8.022 -5.408 2.749 1.00 0.00 C ATOM 1069 C VAL A 75 7.867 -4.564 1.488 1.00 0.00 C ATOM 1070 O VAL A 75 8.773 -4.500 0.656 1.00 0.00 O ATOM 1071 CB VAL A 75 9.386 -5.101 3.394 1.00 0.00 C ATOM 1072 CG1 VAL A 75 9.651 -3.603 3.399 1.00 0.00 C ATOM 1073 CG2 VAL A 75 9.447 -5.667 4.805 1.00 0.00 C ATOM 0 H VAL A 75 8.557 -7.186 1.775 1.00 0.00 H new ATOM 0 HA VAL A 75 7.230 -5.153 3.453 1.00 0.00 H new ATOM 0 HB VAL A 75 10.165 -5.580 2.801 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.620 -3.406 3.859 1.00 0.00 H new ATOM 0 HG12 VAL A 75 9.653 -3.230 2.375 1.00 0.00 H new ATOM 0 HG13 VAL A 75 8.870 -3.097 3.967 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.418 -5.441 5.246 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.660 -5.219 5.411 1.00 0.00 H new ATOM 0 HG23 VAL A 75 9.307 -6.747 4.770 1.00 0.00 H new ATOM 1083 N TYR A 76 6.714 -3.918 1.353 1.00 0.00 N ATOM 1084 CA TYR A 76 6.440 -3.080 0.192 1.00 0.00 C ATOM 1085 C TYR A 76 7.228 -1.776 0.263 1.00 0.00 C ATOM 1086 O TYR A 76 7.545 -1.287 1.348 1.00 0.00 O ATOM 1087 CB TYR A 76 4.943 -2.779 0.097 1.00 0.00 C ATOM 1088 CG TYR A 76 4.095 -4.002 -0.171 1.00 0.00 C ATOM 1089 CD1 TYR A 76 3.843 -4.930 0.831 1.00 0.00 C ATOM 1090 CD2 TYR A 76 3.547 -4.229 -1.428 1.00 0.00 C ATOM 1091 CE1 TYR A 76 3.069 -6.049 0.590 1.00 0.00 C ATOM 1092 CE2 TYR A 76 2.772 -5.345 -1.677 1.00 0.00 C ATOM 1093 CZ TYR A 76 2.536 -6.252 -0.665 1.00 0.00 C ATOM 1094 OH TYR A 76 1.765 -7.365 -0.910 1.00 0.00 O ATOM 0 H TYR A 76 5.955 -3.959 2.033 1.00 0.00 H new ATOM 0 HA TYR A 76 6.753 -3.624 -0.699 1.00 0.00 H new ATOM 0 HB2 TYR A 76 4.614 -2.316 1.028 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.777 -2.051 -0.697 1.00 0.00 H new ATOM 0 HD1 TYR A 76 4.259 -4.774 1.815 1.00 0.00 H new ATOM 0 HD2 TYR A 76 3.730 -3.521 -2.223 1.00 0.00 H new ATOM 0 HE1 TYR A 76 2.883 -6.761 1.381 1.00 0.00 H new ATOM 0 HE2 TYR A 76 2.353 -5.507 -2.659 1.00 0.00 H new ATOM 0 HH TYR A 76 2.060 -8.101 -0.334 1.00 0.00 H new ATOM 1104 N SER A 77 7.543 -1.218 -0.902 1.00 0.00 N ATOM 1105 CA SER A 77 8.297 0.028 -0.973 1.00 0.00 C ATOM 1106 C SER A 77 7.665 0.989 -1.975 1.00 0.00 C ATOM 1107 O SER A 77 7.219 0.581 -3.048 1.00 0.00 O ATOM 1108 CB SER A 77 9.749 -0.253 -1.366 1.00 0.00 C ATOM 1109 OG SER A 77 9.836 -1.370 -2.234 1.00 0.00 O ATOM 0 H SER A 77 7.288 -1.609 -1.809 1.00 0.00 H new ATOM 0 HA SER A 77 8.277 0.493 0.013 1.00 0.00 H new ATOM 0 HB2 SER A 77 10.173 0.625 -1.854 1.00 0.00 H new ATOM 0 HB3 SER A 77 10.342 -0.438 -0.470 1.00 0.00 H new ATOM 0 HG SER A 77 9.033 -1.413 -2.793 1.00 0.00 H new ATOM 1115 N CYS A 78 7.629 2.268 -1.616 1.00 0.00 N ATOM 1116 CA CYS A 78 7.050 3.289 -2.482 1.00 0.00 C ATOM 1117 C CYS A 78 7.990 4.483 -2.618 1.00 0.00 C ATOM 1118 O CYS A 78 8.075 5.324 -1.724 1.00 0.00 O ATOM 1119 CB CYS A 78 5.699 3.748 -1.932 1.00 0.00 C ATOM 1120 SG CYS A 78 4.678 4.637 -3.130 1.00 0.00 S ATOM 0 H CYS A 78 7.994 2.622 -0.732 1.00 0.00 H new ATOM 0 HA CYS A 78 6.902 2.852 -3.469 1.00 0.00 H new ATOM 0 HB2 CYS A 78 5.148 2.877 -1.577 1.00 0.00 H new ATOM 0 HB3 CYS A 78 5.870 4.391 -1.068 1.00 0.00 H new ATOM 0 HG CYS A 78 3.636 3.920 -3.429 1.00 0.00 H new ATOM 1126 N VAL A 79 8.695 4.549 -3.743 1.00 0.00 N ATOM 1127 CA VAL A 79 9.630 5.639 -3.997 1.00 0.00 C ATOM 1128 C VAL A 79 8.939 6.803 -4.699 1.00 0.00 C ATOM 1129 O VAL A 79 8.730 6.773 -5.912 1.00 0.00 O ATOM 1130 CB VAL A 79 10.820 5.170 -4.854 1.00 0.00 C ATOM 1131 CG1 VAL A 79 11.928 6.212 -4.846 1.00 0.00 C ATOM 1132 CG2 VAL A 79 11.336 3.827 -4.359 1.00 0.00 C ATOM 0 H VAL A 79 8.636 3.860 -4.493 1.00 0.00 H new ATOM 0 HA VAL A 79 10.000 5.971 -3.027 1.00 0.00 H new ATOM 0 HB VAL A 79 10.479 5.046 -5.882 1.00 0.00 H new ATOM 0 HG11 VAL A 79 12.760 5.863 -5.457 1.00 0.00 H new ATOM 0 HG12 VAL A 79 11.548 7.150 -5.252 1.00 0.00 H new ATOM 0 HG13 VAL A 79 12.270 6.371 -3.823 1.00 0.00 H new ATOM 0 HG21 VAL A 79 12.177 3.510 -4.976 1.00 0.00 H new ATOM 0 HG22 VAL A 79 11.661 3.922 -3.323 1.00 0.00 H new ATOM 0 HG23 VAL A 79 10.540 3.085 -4.423 1.00 0.00 H new ATOM 1142 N CYS A 80 8.587 7.826 -3.929 1.00 0.00 N ATOM 1143 CA CYS A 80 7.919 9.001 -4.477 1.00 0.00 C ATOM 1144 C CYS A 80 8.910 9.895 -5.216 1.00 0.00 C ATOM 1145 O CYS A 80 8.568 10.525 -6.215 1.00 0.00 O ATOM 1146 CB CYS A 80 7.235 9.791 -3.360 1.00 0.00 C ATOM 1147 SG CYS A 80 6.354 11.264 -3.931 1.00 0.00 S ATOM 0 H CYS A 80 8.753 7.866 -2.923 1.00 0.00 H new ATOM 0 HA CYS A 80 7.165 8.662 -5.187 1.00 0.00 H new ATOM 0 HB2 CYS A 80 6.532 9.137 -2.845 1.00 0.00 H new ATOM 0 HB3 CYS A 80 7.986 10.090 -2.629 1.00 0.00 H new ATOM 0 HG CYS A 80 6.801 11.610 -5.102 1.00 0.00 H new ATOM 1153 N GLY A 81 10.141 9.946 -4.714 1.00 0.00 N ATOM 1154 CA GLY A 81 11.162 10.767 -5.338 1.00 0.00 C ATOM 1155 C GLY A 81 12.024 11.491 -4.323 1.00 0.00 C ATOM 1156 O GLY A 81 13.231 11.634 -4.515 1.00 0.00 O ATOM 0 H GLY A 81 10.449 9.434 -3.887 1.00 0.00 H new ATOM 0 HA2 GLY A 81 11.795 10.140 -5.966 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.687 11.497 -5.993 1.00 0.00 H new ATOM 1160 N GLN A 82 11.403 11.949 -3.241 1.00 0.00 N ATOM 1161 CA GLN A 82 12.121 12.664 -2.193 1.00 0.00 C ATOM 1162 C GLN A 82 12.537 11.716 -1.073 1.00 0.00 C ATOM 1163 O GLN A 82 13.721 11.583 -0.767 1.00 0.00 O ATOM 1164 CB GLN A 82 11.255 13.791 -1.629 1.00 0.00 C ATOM 1165 CG GLN A 82 11.391 15.102 -2.387 1.00 0.00 C ATOM 1166 CD GLN A 82 11.169 16.313 -1.503 1.00 0.00 C ATOM 1167 OE1 GLN A 82 10.310 16.304 -0.621 1.00 0.00 O ATOM 1168 NE2 GLN A 82 11.946 17.365 -1.734 1.00 0.00 N ATOM 0 H GLN A 82 10.404 11.838 -3.067 1.00 0.00 H new ATOM 0 HA GLN A 82 13.021 13.093 -2.633 1.00 0.00 H new ATOM 0 HB2 GLN A 82 10.211 13.478 -1.645 1.00 0.00 H new ATOM 0 HB3 GLN A 82 11.522 13.955 -0.585 1.00 0.00 H new ATOM 0 HG2 GLN A 82 12.385 15.159 -2.832 1.00 0.00 H new ATOM 0 HG3 GLN A 82 10.673 15.119 -3.207 1.00 0.00 H new ATOM 0 HE21 GLN A 82 12.645 17.329 -2.476 1.00 0.00 H new ATOM 0 HE22 GLN A 82 11.843 18.209 -1.170 1.00 0.00 H new ATOM 1177 N GLU A 83 11.553 11.060 -0.465 1.00 0.00 N ATOM 1178 CA GLU A 83 11.818 10.125 0.622 1.00 0.00 C ATOM 1179 C GLU A 83 11.039 8.828 0.426 1.00 0.00 C ATOM 1180 O GLU A 83 9.811 8.810 0.503 1.00 0.00 O ATOM 1181 CB GLU A 83 11.449 10.755 1.967 1.00 0.00 C ATOM 1182 CG GLU A 83 12.120 12.096 2.216 1.00 0.00 C ATOM 1183 CD GLU A 83 13.550 11.951 2.700 1.00 0.00 C ATOM 1184 OE1 GLU A 83 13.747 11.428 3.817 1.00 0.00 O ATOM 1185 OE2 GLU A 83 14.470 12.362 1.963 1.00 0.00 O ATOM 0 H GLU A 83 10.567 11.159 -0.706 1.00 0.00 H new ATOM 0 HA GLU A 83 12.883 9.894 0.616 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.368 10.885 2.013 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.722 10.068 2.768 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.109 12.680 1.296 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.545 12.654 2.955 1.00 0.00 H new ATOM 1192 N ARG A 84 11.764 7.743 0.170 1.00 0.00 N ATOM 1193 CA ARG A 84 11.142 6.441 -0.040 1.00 0.00 C ATOM 1194 C ARG A 84 10.576 5.892 1.267 1.00 0.00 C ATOM 1195 O ARG A 84 11.218 5.967 2.315 1.00 0.00 O ATOM 1196 CB ARG A 84 12.157 5.456 -0.622 1.00 0.00 C ATOM 1197 CG ARG A 84 11.543 4.134 -1.056 1.00 0.00 C ATOM 1198 CD ARG A 84 11.554 3.118 0.075 1.00 0.00 C ATOM 1199 NE ARG A 84 12.790 2.341 0.102 1.00 0.00 N ATOM 1200 CZ ARG A 84 13.086 1.462 1.052 1.00 0.00 C ATOM 1201 NH1 ARG A 84 12.238 1.248 2.049 1.00 0.00 N ATOM 1202 NH2 ARG A 84 14.231 0.793 1.007 1.00 0.00 N ATOM 0 H ARG A 84 12.782 7.740 0.103 1.00 0.00 H new ATOM 0 HA ARG A 84 10.322 6.567 -0.747 1.00 0.00 H new ATOM 0 HB2 ARG A 84 12.648 5.917 -1.479 1.00 0.00 H new ATOM 0 HB3 ARG A 84 12.930 5.261 0.122 1.00 0.00 H new ATOM 0 HG2 ARG A 84 10.518 4.299 -1.389 1.00 0.00 H new ATOM 0 HG3 ARG A 84 12.095 3.738 -1.908 1.00 0.00 H new ATOM 0 HD2 ARG A 84 11.430 3.634 1.027 1.00 0.00 H new ATOM 0 HD3 ARG A 84 10.705 2.444 -0.035 1.00 0.00 H new ATOM 0 HE ARG A 84 13.464 2.481 -0.651 1.00 0.00 H new ATOM 0 HH11 ARG A 84 11.356 1.759 2.087 1.00 0.00 H new ATOM 0 HH12 ARG A 84 12.468 0.572 2.778 1.00 0.00 H new ATOM 0 HH21 ARG A 84 14.886 0.954 0.242 1.00 0.00 H new ATOM 0 HH22 ARG A 84 14.456 0.118 1.738 1.00 0.00 H new ATOM 1216 N THR A 85 9.369 5.340 1.197 1.00 0.00 N ATOM 1217 CA THR A 85 8.715 4.780 2.373 1.00 0.00 C ATOM 1218 C THR A 85 8.344 3.318 2.152 1.00 0.00 C ATOM 1219 O THR A 85 7.919 2.934 1.062 1.00 0.00 O ATOM 1220 CB THR A 85 7.446 5.571 2.740 1.00 0.00 C ATOM 1221 OG1 THR A 85 6.893 5.070 3.963 1.00 0.00 O ATOM 1222 CG2 THR A 85 6.408 5.473 1.632 1.00 0.00 C ATOM 0 H THR A 85 8.824 5.269 0.338 1.00 0.00 H new ATOM 0 HA THR A 85 9.428 4.850 3.195 1.00 0.00 H new ATOM 0 HB THR A 85 7.721 6.618 2.867 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.435 5.796 4.437 1.00 0.00 H new ATOM 0 HG21 THR A 85 5.520 6.039 1.914 1.00 0.00 H new ATOM 0 HG22 THR A 85 6.821 5.881 0.709 1.00 0.00 H new ATOM 0 HG23 THR A 85 6.138 4.428 1.478 1.00 0.00 H new ATOM 1230 N SER A 86 8.506 2.507 3.192 1.00 0.00 N ATOM 1231 CA SER A 86 8.190 1.086 3.110 1.00 0.00 C ATOM 1232 C SER A 86 7.285 0.663 4.264 1.00 0.00 C ATOM 1233 O SER A 86 7.039 1.435 5.189 1.00 0.00 O ATOM 1234 CB SER A 86 9.474 0.255 3.123 1.00 0.00 C ATOM 1235 OG SER A 86 10.304 0.614 4.214 1.00 0.00 O ATOM 0 H SER A 86 8.854 2.810 4.102 1.00 0.00 H new ATOM 0 HA SER A 86 7.661 0.910 2.173 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.224 -0.804 3.185 1.00 0.00 H new ATOM 0 HB3 SER A 86 10.014 0.401 2.188 1.00 0.00 H new ATOM 0 HG SER A 86 11.117 0.067 4.200 1.00 0.00 H new ATOM 1241 N ALA A 87 6.794 -0.570 4.200 1.00 0.00 N ATOM 1242 CA ALA A 87 5.918 -1.098 5.239 1.00 0.00 C ATOM 1243 C ALA A 87 5.934 -2.623 5.248 1.00 0.00 C ATOM 1244 O ALA A 87 6.634 -3.252 4.454 1.00 0.00 O ATOM 1245 CB ALA A 87 4.499 -0.584 5.045 1.00 0.00 C ATOM 0 H ALA A 87 6.988 -1.222 3.440 1.00 0.00 H new ATOM 0 HA ALA A 87 6.289 -0.751 6.203 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.856 -0.986 5.828 1.00 0.00 H new ATOM 0 HB2 ALA A 87 4.496 0.505 5.097 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.127 -0.902 4.071 1.00 0.00 H new ATOM 1251 N THR A 88 5.158 -3.213 6.152 1.00 0.00 N ATOM 1252 CA THR A 88 5.084 -4.664 6.266 1.00 0.00 C ATOM 1253 C THR A 88 3.641 -5.150 6.180 1.00 0.00 C ATOM 1254 O THR A 88 2.743 -4.569 6.790 1.00 0.00 O ATOM 1255 CB THR A 88 5.701 -5.156 7.588 1.00 0.00 C ATOM 1256 OG1 THR A 88 7.014 -4.609 7.750 1.00 0.00 O ATOM 1257 CG2 THR A 88 5.772 -6.675 7.620 1.00 0.00 C ATOM 0 H THR A 88 4.572 -2.708 6.816 1.00 0.00 H new ATOM 0 HA THR A 88 5.653 -5.075 5.433 1.00 0.00 H new ATOM 0 HB THR A 88 5.065 -4.820 8.407 1.00 0.00 H new ATOM 0 HG1 THR A 88 7.398 -4.926 8.594 1.00 0.00 H new ATOM 0 HG21 THR A 88 6.211 -6.999 8.563 1.00 0.00 H new ATOM 0 HG22 THR A 88 4.768 -7.088 7.527 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.388 -7.028 6.793 1.00 0.00 H new ATOM 1265 N LEU A 89 3.426 -6.218 5.420 1.00 0.00 N ATOM 1266 CA LEU A 89 2.091 -6.783 5.254 1.00 0.00 C ATOM 1267 C LEU A 89 1.983 -8.136 5.950 1.00 0.00 C ATOM 1268 O LEU A 89 2.875 -8.977 5.838 1.00 0.00 O ATOM 1269 CB LEU A 89 1.760 -6.932 3.768 1.00 0.00 C ATOM 1270 CG LEU A 89 0.540 -7.792 3.436 1.00 0.00 C ATOM 1271 CD1 LEU A 89 -0.737 -6.972 3.545 1.00 0.00 C ATOM 1272 CD2 LEU A 89 0.673 -8.391 2.044 1.00 0.00 C ATOM 0 H LEU A 89 4.159 -6.710 4.909 1.00 0.00 H new ATOM 0 HA LEU A 89 1.374 -6.101 5.712 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.604 -5.938 3.349 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.628 -7.357 3.264 1.00 0.00 H new ATOM 0 HG LEU A 89 0.487 -8.607 4.158 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.595 -7.601 3.305 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.839 -6.591 4.561 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.693 -6.136 2.847 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.204 -9.000 1.825 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.752 -7.590 1.309 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.567 -9.013 1.999 1.00 0.00 H new ATOM 1284 N THR A 90 0.882 -8.341 6.666 1.00 0.00 N ATOM 1285 CA THR A 90 0.656 -9.592 7.379 1.00 0.00 C ATOM 1286 C THR A 90 -0.509 -10.366 6.773 1.00 0.00 C ATOM 1287 O THR A 90 -1.659 -9.934 6.844 1.00 0.00 O ATOM 1288 CB THR A 90 0.372 -9.344 8.873 1.00 0.00 C ATOM 1289 OG1 THR A 90 1.560 -8.887 9.528 1.00 0.00 O ATOM 1290 CG2 THR A 90 -0.129 -10.613 9.546 1.00 0.00 C ATOM 0 H THR A 90 0.133 -7.656 6.767 1.00 0.00 H new ATOM 0 HA THR A 90 1.569 -10.180 7.284 1.00 0.00 H new ATOM 0 HB THR A 90 -0.402 -8.580 8.952 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.371 -8.730 10.477 1.00 0.00 H new ATOM 0 HG21 THR A 90 -0.323 -10.414 10.600 1.00 0.00 H new ATOM 0 HG22 THR A 90 -1.050 -10.942 9.064 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.626 -11.394 9.457 1.00 0.00 H new ATOM 1298 N VAL A 91 -0.204 -11.515 6.178 1.00 0.00 N ATOM 1299 CA VAL A 91 -1.227 -12.352 5.561 1.00 0.00 C ATOM 1300 C VAL A 91 -1.353 -13.688 6.284 1.00 0.00 C ATOM 1301 O VAL A 91 -0.435 -14.508 6.260 1.00 0.00 O ATOM 1302 CB VAL A 91 -0.918 -12.611 4.075 1.00 0.00 C ATOM 1303 CG1 VAL A 91 -2.027 -13.433 3.435 1.00 0.00 C ATOM 1304 CG2 VAL A 91 -0.721 -11.297 3.334 1.00 0.00 C ATOM 0 H VAL A 91 0.743 -11.888 6.110 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.170 -11.810 5.639 1.00 0.00 H new ATOM 0 HB VAL A 91 0.009 -13.181 4.008 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.792 -13.606 2.385 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.114 -14.390 3.950 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.971 -12.893 3.511 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.504 -11.500 2.285 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.629 -10.698 3.407 1.00 0.00 H new ATOM 0 HG23 VAL A 91 0.111 -10.750 3.778 1.00 0.00 H new ATOM 1314 N ARG A 92 -2.497 -13.901 6.927 1.00 0.00 N ATOM 1315 CA ARG A 92 -2.743 -15.138 7.658 1.00 0.00 C ATOM 1316 C ARG A 92 -2.942 -16.307 6.697 1.00 0.00 C ATOM 1317 O ARG A 92 -2.845 -16.147 5.481 1.00 0.00 O ATOM 1318 CB ARG A 92 -3.972 -14.988 8.557 1.00 0.00 C ATOM 1319 CG ARG A 92 -3.776 -14.000 9.695 1.00 0.00 C ATOM 1320 CD ARG A 92 -3.217 -14.682 10.934 1.00 0.00 C ATOM 1321 NE ARG A 92 -3.305 -13.827 12.115 1.00 0.00 N ATOM 1322 CZ ARG A 92 -2.816 -14.164 13.304 1.00 0.00 C ATOM 1323 NH1 ARG A 92 -2.207 -15.330 13.468 1.00 0.00 N ATOM 1324 NH2 ARG A 92 -2.935 -13.332 14.331 1.00 0.00 N ATOM 0 H ARG A 92 -3.267 -13.233 6.956 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.871 -15.344 8.278 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -4.819 -14.667 7.950 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -4.229 -15.962 8.973 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -3.098 -13.207 9.378 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.728 -13.528 9.936 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -3.762 -15.608 11.115 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -2.176 -14.954 10.760 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.767 -12.922 12.022 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -2.113 -15.971 12.680 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -1.833 -15.586 14.382 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -3.402 -12.434 14.208 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -2.560 -13.591 15.243 1.00 0.00 H new ATOM 1338 N ALA A 93 -3.221 -17.482 7.252 1.00 0.00 N ATOM 1339 CA ALA A 93 -3.435 -18.676 6.445 1.00 0.00 C ATOM 1340 C ALA A 93 -4.804 -19.288 6.722 1.00 0.00 C ATOM 1341 O ALA A 93 -5.117 -19.646 7.859 1.00 0.00 O ATOM 1342 CB ALA A 93 -2.336 -19.695 6.708 1.00 0.00 C ATOM 0 H ALA A 93 -3.304 -17.632 8.257 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.402 -18.385 5.395 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.509 -20.582 6.098 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.369 -19.262 6.452 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -2.342 -19.973 7.762 1.00 0.00 H new ATOM 1348 N LEU A 94 -5.617 -19.406 5.678 1.00 0.00 N ATOM 1349 CA LEU A 94 -6.954 -19.975 5.810 1.00 0.00 C ATOM 1350 C LEU A 94 -6.883 -21.456 6.169 1.00 0.00 C ATOM 1351 O LEU A 94 -5.943 -22.163 5.805 1.00 0.00 O ATOM 1352 CB LEU A 94 -7.738 -19.790 4.510 1.00 0.00 C ATOM 1353 CG LEU A 94 -7.787 -18.367 3.952 1.00 0.00 C ATOM 1354 CD1 LEU A 94 -8.543 -18.337 2.632 1.00 0.00 C ATOM 1355 CD2 LEU A 94 -8.428 -17.422 4.957 1.00 0.00 C ATOM 0 H LEU A 94 -5.374 -19.115 4.731 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.468 -19.450 6.615 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.304 -20.441 3.752 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.761 -20.130 4.674 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.765 -18.033 3.770 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.568 -17.316 2.250 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.042 -18.982 1.911 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -9.562 -18.691 2.788 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.454 -16.414 4.543 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -9.444 -17.753 5.171 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -7.845 -17.421 5.878 1.00 0.00 H new