USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 741 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 82 CYS SG : rot -164:sc= -7.32! USER MOD Set 1.2: A 93 SER OG : rot -32:sc= 1.09 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0567 USER MOD Single : A 11 GLN : amide:sc= -0.274 K(o=-0.27,f=-2.3!) USER MOD Single : A 13 SER OG : rot 48:sc= 0.506 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -7.92! C(o=-7.9!,f=-21!) USER MOD Single : A 19 TYR OH : rot 180:sc= -6! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 80:sc= -2.54! USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= -0.0127 X(o=-0.013,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -85:sc= 1.18! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 99:sc= 0.31 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -4.35! C(o=-4.4!,f=-11!) USER MOD Single : A 84 GLN : amide:sc= -0.554 K(o=-0.55,f=-3.2!) USER MOD Single : A 85 ASN : amide:sc= -1.18 K(o=-1.2,f=-2.5!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot -100:sc= 1.14 USER MOD Single : A 104 HIS : no HD1:sc= -0.0372 X(o=-0.037,f=0) USER MOD ----------------------------------------------------------------- ATOM 31 N LEU A 9 -1.473 -0.470 -5.351 1.00 0.00 N ATOM 32 CA LEU A 9 -2.766 -1.125 -5.246 1.00 0.00 C ATOM 33 C LEU A 9 -2.611 -2.609 -5.586 1.00 0.00 C ATOM 34 O LEU A 9 -3.262 -3.459 -4.981 1.00 0.00 O ATOM 35 CB LEU A 9 -3.804 -0.402 -6.108 1.00 0.00 C ATOM 36 CG LEU A 9 -3.860 1.119 -5.955 1.00 0.00 C ATOM 37 CD1 LEU A 9 -5.216 1.665 -6.407 1.00 0.00 C ATOM 38 CD2 LEU A 9 -3.521 1.539 -4.523 1.00 0.00 C ATOM 0 HA LEU A 9 -3.139 -1.069 -4.223 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.604 -0.635 -7.154 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.788 -0.807 -5.873 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.103 1.556 -6.606 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.230 2.748 -6.288 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.379 1.413 -7.455 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.007 1.223 -5.800 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.568 2.625 -4.442 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.237 1.092 -3.834 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.516 1.200 -4.273 1.00 0.00 H new ATOM 50 N THR A 10 -1.744 -2.874 -6.552 1.00 0.00 N ATOM 51 CA THR A 10 -1.495 -4.241 -6.980 1.00 0.00 C ATOM 52 C THR A 10 -1.055 -5.099 -5.792 1.00 0.00 C ATOM 53 O THR A 10 -1.593 -6.182 -5.571 1.00 0.00 O ATOM 54 CB THR A 10 -0.470 -4.202 -8.114 1.00 0.00 C ATOM 55 OG1 THR A 10 0.504 -3.261 -7.670 1.00 0.00 O ATOM 56 CG2 THR A 10 -1.034 -3.578 -9.393 1.00 0.00 C ATOM 0 H THR A 10 -1.205 -2.166 -7.051 1.00 0.00 H new ATOM 0 HA THR A 10 -2.403 -4.709 -7.360 1.00 0.00 H new ATOM 0 HB THR A 10 -0.125 -5.214 -8.325 1.00 0.00 H new ATOM 0 HG1 THR A 10 1.208 -3.175 -8.346 1.00 0.00 H new ATOM 0 HG21 THR A 10 -0.265 -3.575 -10.166 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.890 -4.160 -9.735 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.349 -2.554 -9.190 1.00 0.00 H new ATOM 64 N GLN A 11 -0.080 -4.582 -5.058 1.00 0.00 N ATOM 65 CA GLN A 11 0.439 -5.287 -3.899 1.00 0.00 C ATOM 66 C GLN A 11 -0.533 -5.163 -2.723 1.00 0.00 C ATOM 67 O GLN A 11 -0.645 -6.075 -1.906 1.00 0.00 O ATOM 68 CB GLN A 11 1.828 -4.771 -3.519 1.00 0.00 C ATOM 69 CG GLN A 11 2.891 -5.851 -3.732 1.00 0.00 C ATOM 70 CD GLN A 11 3.791 -5.984 -2.501 1.00 0.00 C ATOM 71 OE1 GLN A 11 3.762 -5.176 -1.589 1.00 0.00 O ATOM 72 NE2 GLN A 11 4.589 -7.048 -2.528 1.00 0.00 N ATOM 0 H GLN A 11 0.364 -3.683 -5.244 1.00 0.00 H new ATOM 0 HA GLN A 11 0.537 -6.342 -4.154 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.071 -3.894 -4.119 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.830 -4.455 -2.476 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.408 -6.806 -3.939 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.496 -5.604 -4.604 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.562 -7.685 -3.324 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.227 -7.226 -1.753 1.00 0.00 H new ATOM 81 N LEU A 12 -1.210 -4.025 -2.675 1.00 0.00 N ATOM 82 CA LEU A 12 -2.168 -3.769 -1.613 1.00 0.00 C ATOM 83 C LEU A 12 -3.094 -4.978 -1.465 1.00 0.00 C ATOM 84 O LEU A 12 -3.384 -5.409 -0.350 1.00 0.00 O ATOM 85 CB LEU A 12 -2.910 -2.455 -1.866 1.00 0.00 C ATOM 86 CG LEU A 12 -3.222 -1.612 -0.627 1.00 0.00 C ATOM 87 CD1 LEU A 12 -4.327 -2.258 0.211 1.00 0.00 C ATOM 88 CD2 LEU A 12 -1.956 -1.354 0.193 1.00 0.00 C ATOM 0 H LEU A 12 -1.114 -3.270 -3.354 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.655 -3.641 -0.660 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.316 -1.851 -2.552 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.848 -2.682 -2.372 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.594 -0.642 -0.958 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.530 -1.639 1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.233 -2.347 -0.388 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.007 -3.249 0.534 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.205 -0.753 1.068 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.531 -2.305 0.515 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.229 -0.820 -0.419 1.00 0.00 H new ATOM 100 N SER A 13 -3.532 -5.492 -2.605 1.00 0.00 N ATOM 101 CA SER A 13 -4.418 -6.643 -2.616 1.00 0.00 C ATOM 102 C SER A 13 -4.561 -7.180 -4.042 1.00 0.00 C ATOM 103 O SER A 13 -5.671 -7.290 -4.560 1.00 0.00 O ATOM 104 CB SER A 13 -5.792 -6.286 -2.044 1.00 0.00 C ATOM 105 OG SER A 13 -5.922 -6.682 -0.682 1.00 0.00 O ATOM 0 H SER A 13 -3.289 -5.132 -3.528 1.00 0.00 H new ATOM 0 HA SER A 13 -3.981 -7.417 -1.985 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.950 -5.211 -2.126 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.568 -6.769 -2.638 1.00 0.00 H new ATOM 0 HG SER A 13 -5.135 -6.385 -0.179 1.00 0.00 H new ATOM 111 N SER A 14 -3.421 -7.500 -4.636 1.00 0.00 N ATOM 112 CA SER A 14 -3.405 -8.023 -5.992 1.00 0.00 C ATOM 113 C SER A 14 -4.052 -7.020 -6.948 1.00 0.00 C ATOM 114 O SER A 14 -4.389 -7.363 -8.080 1.00 0.00 O ATOM 115 CB SER A 14 -4.124 -9.371 -6.071 1.00 0.00 C ATOM 116 OG SER A 14 -3.285 -10.394 -6.602 1.00 0.00 O ATOM 0 H SER A 14 -2.502 -7.407 -4.204 1.00 0.00 H new ATOM 0 HA SER A 14 -2.367 -8.178 -6.286 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.463 -9.660 -5.076 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.013 -9.272 -6.694 1.00 0.00 H new ATOM 0 HG SER A 14 -3.780 -11.239 -6.635 1.00 0.00 H new ATOM 122 N GLY A 15 -4.206 -5.798 -6.457 1.00 0.00 N ATOM 123 CA GLY A 15 -4.807 -4.742 -7.254 1.00 0.00 C ATOM 124 C GLY A 15 -6.334 -4.836 -7.226 1.00 0.00 C ATOM 125 O GLY A 15 -6.989 -4.676 -8.255 1.00 0.00 O ATOM 0 H GLY A 15 -3.925 -5.516 -5.518 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.492 -3.770 -6.874 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.453 -4.812 -8.283 1.00 0.00 H new ATOM 129 N ASN A 16 -6.858 -5.095 -6.036 1.00 0.00 N ATOM 130 CA ASN A 16 -8.295 -5.212 -5.861 1.00 0.00 C ATOM 131 C ASN A 16 -8.935 -3.829 -5.997 1.00 0.00 C ATOM 132 O ASN A 16 -8.645 -2.927 -5.213 1.00 0.00 O ATOM 133 CB ASN A 16 -8.638 -5.757 -4.473 1.00 0.00 C ATOM 134 CG ASN A 16 -10.075 -6.281 -4.429 1.00 0.00 C ATOM 135 OD1 ASN A 16 -10.952 -5.822 -5.143 1.00 0.00 O ATOM 136 ND2 ASN A 16 -10.266 -7.264 -3.554 1.00 0.00 N ATOM 0 H ASN A 16 -6.312 -5.227 -5.184 1.00 0.00 H new ATOM 0 HA ASN A 16 -8.673 -5.896 -6.621 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -7.947 -6.558 -4.212 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -8.511 -4.971 -3.728 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -11.191 -7.681 -3.449 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -9.488 -7.601 -2.987 1.00 0.00 H new ATOM 143 N PRO A 17 -9.818 -3.702 -7.024 1.00 0.00 N ATOM 144 CA PRO A 17 -10.501 -2.445 -7.273 1.00 0.00 C ATOM 145 C PRO A 17 -11.611 -2.211 -6.246 1.00 0.00 C ATOM 146 O PRO A 17 -12.176 -1.121 -6.174 1.00 0.00 O ATOM 147 CB PRO A 17 -11.023 -2.555 -8.696 1.00 0.00 C ATOM 148 CG PRO A 17 -11.018 -4.039 -9.028 1.00 0.00 C ATOM 149 CD PRO A 17 -10.186 -4.749 -7.972 1.00 0.00 C ATOM 0 HA PRO A 17 -9.843 -1.582 -7.170 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -12.028 -2.140 -8.777 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -10.391 -1.998 -9.388 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -12.035 -4.431 -9.040 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -10.600 -4.207 -10.020 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.756 -5.541 -7.486 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -9.303 -5.214 -8.410 1.00 0.00 H new ATOM 157 N VAL A 18 -11.890 -3.253 -5.476 1.00 0.00 N ATOM 158 CA VAL A 18 -12.922 -3.175 -4.456 1.00 0.00 C ATOM 159 C VAL A 18 -12.756 -1.875 -3.667 1.00 0.00 C ATOM 160 O VAL A 18 -13.739 -1.205 -3.354 1.00 0.00 O ATOM 161 CB VAL A 18 -12.877 -4.422 -3.570 1.00 0.00 C ATOM 162 CG1 VAL A 18 -11.548 -4.510 -2.816 1.00 0.00 C ATOM 163 CG2 VAL A 18 -14.060 -4.448 -2.601 1.00 0.00 C ATOM 0 H VAL A 18 -11.419 -4.156 -5.538 1.00 0.00 H new ATOM 0 HA VAL A 18 -13.911 -3.153 -4.914 1.00 0.00 H new ATOM 0 HB VAL A 18 -12.954 -5.296 -4.216 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.541 -5.405 -2.194 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -10.727 -4.559 -3.531 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.428 -3.629 -2.186 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -14.004 -5.344 -1.983 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -14.027 -3.565 -1.963 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -14.993 -4.454 -3.165 1.00 0.00 H new ATOM 173 N TYR A 19 -11.505 -1.556 -3.369 1.00 0.00 N ATOM 174 CA TYR A 19 -11.198 -0.348 -2.623 1.00 0.00 C ATOM 175 C TYR A 19 -11.545 0.901 -3.435 1.00 0.00 C ATOM 176 O TYR A 19 -12.022 1.892 -2.883 1.00 0.00 O ATOM 177 CB TYR A 19 -9.688 -0.377 -2.375 1.00 0.00 C ATOM 178 CG TYR A 19 -9.280 -1.133 -1.109 1.00 0.00 C ATOM 179 CD1 TYR A 19 -9.392 -0.525 0.124 1.00 0.00 C ATOM 180 CD2 TYR A 19 -8.799 -2.424 -1.201 1.00 0.00 C ATOM 181 CE1 TYR A 19 -9.008 -1.236 1.316 1.00 0.00 C ATOM 182 CE2 TYR A 19 -8.415 -3.135 -0.010 1.00 0.00 C ATOM 183 CZ TYR A 19 -8.538 -2.507 1.190 1.00 0.00 C ATOM 184 OH TYR A 19 -8.175 -3.179 2.315 1.00 0.00 O ATOM 0 H TYR A 19 -10.692 -2.114 -3.631 1.00 0.00 H new ATOM 0 HA TYR A 19 -11.773 -0.312 -1.698 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -9.198 -0.836 -3.234 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -9.321 0.647 -2.308 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -9.768 0.485 0.196 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -8.711 -2.900 -2.166 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -9.091 -0.771 2.287 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -8.037 -4.145 -0.068 1.00 0.00 H new ATOM 0 HH TYR A 19 -7.860 -4.075 2.073 1.00 0.00 H new ATOM 194 N GLU A 20 -11.293 0.813 -4.733 1.00 0.00 N ATOM 195 CA GLU A 20 -11.573 1.924 -5.627 1.00 0.00 C ATOM 196 C GLU A 20 -12.999 2.434 -5.408 1.00 0.00 C ATOM 197 O GLU A 20 -13.246 3.639 -5.458 1.00 0.00 O ATOM 198 CB GLU A 20 -11.352 1.523 -7.086 1.00 0.00 C ATOM 199 CG GLU A 20 -10.310 2.424 -7.751 1.00 0.00 C ATOM 200 CD GLU A 20 -10.970 3.393 -8.735 1.00 0.00 C ATOM 201 OE1 GLU A 20 -11.964 3.035 -9.384 1.00 0.00 O ATOM 202 OE2 GLU A 20 -10.416 4.555 -8.811 1.00 0.00 O ATOM 0 H GLU A 20 -10.898 -0.011 -5.187 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.879 2.733 -5.399 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.025 0.485 -7.136 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.294 1.587 -7.631 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -9.770 2.986 -6.989 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.576 1.812 -8.275 1.00 0.00 H new ATOM 210 N LYS A 21 -13.901 1.493 -5.171 1.00 0.00 N ATOM 211 CA LYS A 21 -15.295 1.832 -4.946 1.00 0.00 C ATOM 212 C LYS A 21 -15.387 2.881 -3.836 1.00 0.00 C ATOM 213 O LYS A 21 -16.142 3.846 -3.949 1.00 0.00 O ATOM 214 CB LYS A 21 -16.116 0.571 -4.669 1.00 0.00 C ATOM 215 CG LYS A 21 -16.739 0.618 -3.272 1.00 0.00 C ATOM 216 CD LYS A 21 -17.710 -0.547 -3.066 1.00 0.00 C ATOM 217 CE LYS A 21 -18.907 -0.118 -2.215 1.00 0.00 C ATOM 218 NZ LYS A 21 -20.176 -0.490 -2.881 1.00 0.00 N ATOM 0 H LYS A 21 -13.693 0.495 -5.130 1.00 0.00 H new ATOM 0 HA LYS A 21 -15.728 2.276 -5.842 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -16.902 0.472 -5.418 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.479 -0.309 -4.757 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.953 0.579 -2.518 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -17.265 1.563 -3.136 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -18.058 -0.910 -4.033 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -17.193 -1.375 -2.582 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -18.852 -0.591 -1.234 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -18.877 0.959 -2.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -20.978 -0.192 -2.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -20.233 -0.019 -3.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -20.209 -1.521 -3.015 1.00 0.00 H new ATOM 229 N TYR A 22 -14.608 2.657 -2.787 1.00 0.00 N ATOM 230 CA TYR A 22 -14.592 3.571 -1.658 1.00 0.00 C ATOM 231 C TYR A 22 -13.837 4.856 -2.003 1.00 0.00 C ATOM 232 O TYR A 22 -14.339 5.955 -1.776 1.00 0.00 O ATOM 233 CB TYR A 22 -13.850 2.842 -0.536 1.00 0.00 C ATOM 234 CG TYR A 22 -14.367 1.428 -0.263 1.00 0.00 C ATOM 235 CD1 TYR A 22 -15.725 1.181 -0.253 1.00 0.00 C ATOM 236 CD2 TYR A 22 -13.477 0.401 -0.027 1.00 0.00 C ATOM 237 CE1 TYR A 22 -16.212 -0.150 0.004 1.00 0.00 C ATOM 238 CE2 TYR A 22 -13.964 -0.929 0.230 1.00 0.00 C ATOM 239 CZ TYR A 22 -15.308 -1.139 0.233 1.00 0.00 C ATOM 240 OH TYR A 22 -15.768 -2.396 0.476 1.00 0.00 O ATOM 0 H TYR A 22 -13.984 1.856 -2.696 1.00 0.00 H new ATOM 0 HA TYR A 22 -15.607 3.850 -1.375 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -12.791 2.788 -0.790 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -13.929 3.429 0.379 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -16.422 1.985 -0.438 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -12.415 0.595 -0.035 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -17.272 -0.358 0.015 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -13.278 -1.742 0.416 1.00 0.00 H new ATOM 0 HH TYR A 22 -16.004 -2.828 -0.372 1.00 0.00 H new ATOM 250 N TYR A 23 -12.642 4.674 -2.545 1.00 0.00 N ATOM 251 CA TYR A 23 -11.812 5.805 -2.924 1.00 0.00 C ATOM 252 C TYR A 23 -12.569 6.753 -3.855 1.00 0.00 C ATOM 253 O TYR A 23 -12.298 7.953 -3.880 1.00 0.00 O ATOM 254 CB TYR A 23 -10.616 5.218 -3.676 1.00 0.00 C ATOM 255 CG TYR A 23 -9.838 6.242 -4.505 1.00 0.00 C ATOM 256 CD1 TYR A 23 -10.328 6.656 -5.726 1.00 0.00 C ATOM 257 CD2 TYR A 23 -8.646 6.751 -4.030 1.00 0.00 C ATOM 258 CE1 TYR A 23 -9.595 7.620 -6.506 1.00 0.00 C ATOM 259 CE2 TYR A 23 -7.914 7.715 -4.810 1.00 0.00 C ATOM 260 CZ TYR A 23 -8.425 8.102 -6.010 1.00 0.00 C ATOM 261 OH TYR A 23 -7.733 9.012 -6.746 1.00 0.00 O ATOM 0 H TYR A 23 -12.229 3.760 -2.731 1.00 0.00 H new ATOM 0 HA TYR A 23 -11.514 6.374 -2.043 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -9.938 4.758 -2.957 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -10.968 4.425 -4.335 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -11.261 6.258 -6.097 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.263 6.426 -3.074 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -9.967 7.952 -7.464 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.980 8.122 -4.450 1.00 0.00 H new ATOM 0 HH TYR A 23 -6.918 9.268 -6.267 1.00 0.00 H new ATOM 271 N ARG A 24 -13.504 6.180 -4.599 1.00 0.00 N ATOM 272 CA ARG A 24 -14.302 6.959 -5.529 1.00 0.00 C ATOM 273 C ARG A 24 -15.439 7.668 -4.790 1.00 0.00 C ATOM 274 O ARG A 24 -15.884 8.736 -5.206 1.00 0.00 O ATOM 275 CB ARG A 24 -14.893 6.071 -6.626 1.00 0.00 C ATOM 276 CG ARG A 24 -15.618 6.911 -7.680 1.00 0.00 C ATOM 277 CD ARG A 24 -15.033 6.667 -9.073 1.00 0.00 C ATOM 278 NE ARG A 24 -16.124 6.517 -10.061 1.00 0.00 N ATOM 279 CZ ARG A 24 -15.938 6.131 -11.341 1.00 0.00 C ATOM 280 NH1 ARG A 24 -14.699 5.852 -11.800 1.00 0.00 N ATOM 281 NH2 ARG A 24 -16.985 6.031 -12.138 1.00 0.00 N ATOM 0 H ARG A 24 -13.726 5.185 -4.576 1.00 0.00 H new ATOM 0 HA ARG A 24 -13.646 7.698 -5.989 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -14.099 5.494 -7.099 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -15.587 5.356 -6.185 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -16.680 6.665 -7.679 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -15.536 7.968 -7.427 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -14.387 7.498 -9.356 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -14.413 5.770 -9.064 1.00 0.00 H new ATOM 0 HE ARG A 24 -17.076 6.718 -9.756 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -13.895 5.932 -11.178 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.568 5.561 -12.769 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -17.918 6.244 -11.784 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -16.862 5.741 -13.108 1.00 0.00 H new ATOM 294 N GLN A 25 -15.875 7.045 -3.705 1.00 0.00 N ATOM 295 CA GLN A 25 -16.951 7.602 -2.903 1.00 0.00 C ATOM 296 C GLN A 25 -16.543 8.966 -2.341 1.00 0.00 C ATOM 297 O GLN A 25 -17.382 9.850 -2.176 1.00 0.00 O ATOM 298 CB GLN A 25 -17.352 6.644 -1.780 1.00 0.00 C ATOM 299 CG GLN A 25 -18.490 5.723 -2.225 1.00 0.00 C ATOM 300 CD GLN A 25 -19.507 5.526 -1.099 1.00 0.00 C ATOM 301 OE1 GLN A 25 -20.692 5.777 -1.247 1.00 0.00 O ATOM 302 NE2 GLN A 25 -18.980 5.064 0.031 1.00 0.00 N ATOM 0 H GLN A 25 -15.502 6.159 -3.362 1.00 0.00 H new ATOM 0 HA GLN A 25 -17.821 7.740 -3.545 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -16.491 6.046 -1.482 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -17.662 7.214 -0.904 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -18.986 6.147 -3.098 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -18.084 4.757 -2.527 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -17.979 4.875 0.087 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -19.576 4.899 0.842 1.00 0.00 H new ATOM 311 N VAL A 26 -15.253 9.093 -2.062 1.00 0.00 N ATOM 312 CA VAL A 26 -14.723 10.333 -1.522 1.00 0.00 C ATOM 313 C VAL A 26 -14.370 11.276 -2.674 1.00 0.00 C ATOM 314 O VAL A 26 -14.365 12.495 -2.504 1.00 0.00 O ATOM 315 CB VAL A 26 -13.535 10.039 -0.605 1.00 0.00 C ATOM 316 CG1 VAL A 26 -13.644 8.638 0.002 1.00 0.00 C ATOM 317 CG2 VAL A 26 -12.210 10.211 -1.351 1.00 0.00 C ATOM 0 H VAL A 26 -14.560 8.357 -2.200 1.00 0.00 H new ATOM 0 HA VAL A 26 -15.473 10.834 -0.910 1.00 0.00 H new ATOM 0 HB VAL A 26 -13.556 10.761 0.211 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -12.787 8.454 0.650 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -14.562 8.565 0.585 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.661 7.896 -0.796 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.382 9.996 -0.676 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -12.177 9.524 -2.197 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.126 11.236 -1.713 1.00 0.00 H new ATOM 327 N GLU A 27 -14.084 10.677 -3.821 1.00 0.00 N ATOM 328 CA GLU A 27 -13.731 11.449 -5.000 1.00 0.00 C ATOM 329 C GLU A 27 -14.802 12.504 -5.285 1.00 0.00 C ATOM 330 O GLU A 27 -15.994 12.239 -5.139 1.00 0.00 O ATOM 331 CB GLU A 27 -13.525 10.536 -6.211 1.00 0.00 C ATOM 332 CG GLU A 27 -12.969 11.321 -7.401 1.00 0.00 C ATOM 333 CD GLU A 27 -13.683 10.931 -8.697 1.00 0.00 C ATOM 334 OE1 GLU A 27 -14.282 11.792 -9.358 1.00 0.00 O ATOM 335 OE2 GLU A 27 -13.600 9.682 -9.011 1.00 0.00 O ATOM 0 H GLU A 27 -14.090 9.666 -3.959 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.788 11.960 -4.806 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.840 9.730 -5.951 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -14.472 10.073 -6.487 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.088 12.390 -7.224 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.900 11.131 -7.499 1.00 0.00 H new ATOM 343 N ALA A 28 -14.338 13.678 -5.686 1.00 0.00 N ATOM 344 CA ALA A 28 -15.241 14.775 -5.992 1.00 0.00 C ATOM 345 C ALA A 28 -15.172 15.084 -7.489 1.00 0.00 C ATOM 346 O ALA A 28 -14.263 14.626 -8.179 1.00 0.00 O ATOM 347 CB ALA A 28 -14.884 15.987 -5.129 1.00 0.00 C ATOM 0 H ALA A 28 -13.348 13.894 -5.806 1.00 0.00 H new ATOM 0 HA ALA A 28 -16.270 14.501 -5.759 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -15.561 16.809 -5.359 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -14.977 15.724 -4.075 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -13.859 16.293 -5.337 1.00 0.00 H new ATOM 353 N GLY A 29 -16.145 15.858 -7.946 1.00 0.00 N ATOM 354 CA GLY A 29 -16.206 16.234 -9.348 1.00 0.00 C ATOM 355 C GLY A 29 -16.185 14.997 -10.249 1.00 0.00 C ATOM 356 O GLY A 29 -16.296 13.871 -9.766 1.00 0.00 O ATOM 0 H GLY A 29 -16.898 16.235 -7.370 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.113 16.809 -9.535 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -15.363 16.880 -9.592 1.00 0.00 H new ATOM 360 N ASN A 30 -16.040 15.248 -11.542 1.00 0.00 N ATOM 361 CA ASN A 30 -16.002 14.169 -12.514 1.00 0.00 C ATOM 362 C ASN A 30 -14.713 14.269 -13.331 1.00 0.00 C ATOM 363 O ASN A 30 -14.751 14.269 -14.560 1.00 0.00 O ATOM 364 CB ASN A 30 -17.184 14.258 -13.482 1.00 0.00 C ATOM 365 CG ASN A 30 -18.387 13.475 -12.953 1.00 0.00 C ATOM 366 OD1 ASN A 30 -18.978 13.805 -11.938 1.00 0.00 O ATOM 367 ND2 ASN A 30 -18.716 12.421 -13.695 1.00 0.00 N ATOM 0 H ASN A 30 -15.947 16.183 -11.939 1.00 0.00 H new ATOM 0 HA ASN A 30 -16.050 13.225 -11.972 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -17.461 15.302 -13.628 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -16.891 13.867 -14.456 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -19.505 11.834 -13.425 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -18.179 12.200 -14.534 1.00 0.00 H new ATOM 374 N THR A 31 -13.601 14.351 -12.615 1.00 0.00 N ATOM 375 CA THR A 31 -12.302 14.452 -13.258 1.00 0.00 C ATOM 376 C THR A 31 -11.488 13.179 -13.018 1.00 0.00 C ATOM 377 O THR A 31 -10.681 12.786 -13.859 1.00 0.00 O ATOM 378 CB THR A 31 -11.616 15.718 -12.743 1.00 0.00 C ATOM 379 OG1 THR A 31 -11.464 15.486 -11.345 1.00 0.00 O ATOM 380 CG2 THR A 31 -12.522 16.948 -12.820 1.00 0.00 C ATOM 0 H THR A 31 -13.573 14.350 -11.595 1.00 0.00 H new ATOM 0 HA THR A 31 -12.402 14.537 -14.340 1.00 0.00 H new ATOM 0 HB THR A 31 -10.709 15.899 -13.320 1.00 0.00 H new ATOM 0 HG1 THR A 31 -11.025 16.258 -10.931 1.00 0.00 H new ATOM 0 HG21 THR A 31 -11.986 17.819 -12.442 1.00 0.00 H new ATOM 0 HG22 THR A 31 -12.812 17.122 -13.856 1.00 0.00 H new ATOM 0 HG23 THR A 31 -13.414 16.781 -12.216 1.00 0.00 H new ATOM 388 N GLY A 32 -11.729 12.569 -11.867 1.00 0.00 N ATOM 389 CA GLY A 32 -11.028 11.348 -11.505 1.00 0.00 C ATOM 390 C GLY A 32 -9.955 11.624 -10.450 1.00 0.00 C ATOM 391 O GLY A 32 -9.084 10.789 -10.212 1.00 0.00 O ATOM 0 H GLY A 32 -12.400 12.897 -11.172 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.739 10.616 -11.123 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.568 10.912 -12.392 1.00 0.00 H new ATOM 395 N ARG A 33 -10.053 12.799 -9.846 1.00 0.00 N ATOM 396 CA ARG A 33 -9.101 13.196 -8.822 1.00 0.00 C ATOM 397 C ARG A 33 -9.804 13.339 -7.471 1.00 0.00 C ATOM 398 O ARG A 33 -10.932 13.823 -7.402 1.00 0.00 O ATOM 399 CB ARG A 33 -8.426 14.521 -9.181 1.00 0.00 C ATOM 400 CG ARG A 33 -7.198 14.290 -10.064 1.00 0.00 C ATOM 401 CD ARG A 33 -5.921 14.234 -9.223 1.00 0.00 C ATOM 402 NE ARG A 33 -5.502 15.602 -8.847 1.00 0.00 N ATOM 403 CZ ARG A 33 -4.312 15.902 -8.285 1.00 0.00 C ATOM 404 NH1 ARG A 33 -3.410 14.930 -8.030 1.00 0.00 N ATOM 405 NH2 ARG A 33 -4.042 17.160 -7.989 1.00 0.00 N ATOM 0 H ARG A 33 -10.777 13.489 -10.046 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.339 12.419 -8.759 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.135 15.166 -9.700 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -8.130 15.041 -8.270 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -7.314 13.359 -10.618 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.119 15.091 -10.799 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -6.092 13.638 -8.327 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -5.127 13.743 -9.785 1.00 0.00 H new ATOM 0 HE ARG A 33 -6.153 16.367 -9.024 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -3.626 13.960 -8.262 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -2.513 15.165 -7.605 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -4.728 17.889 -8.185 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -3.147 17.403 -7.564 1.00 0.00 H new ATOM 418 N VAL A 34 -9.108 12.908 -6.429 1.00 0.00 N ATOM 419 CA VAL A 34 -9.651 12.982 -5.084 1.00 0.00 C ATOM 420 C VAL A 34 -9.031 14.174 -4.353 1.00 0.00 C ATOM 421 O VAL A 34 -7.821 14.213 -4.135 1.00 0.00 O ATOM 422 CB VAL A 34 -9.429 11.654 -4.356 1.00 0.00 C ATOM 423 CG1 VAL A 34 -7.967 11.497 -3.935 1.00 0.00 C ATOM 424 CG2 VAL A 34 -10.364 11.526 -3.151 1.00 0.00 C ATOM 0 H VAL A 34 -8.172 12.506 -6.490 1.00 0.00 H new ATOM 0 HA VAL A 34 -10.728 13.144 -5.116 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.666 10.848 -5.050 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.837 10.545 -3.420 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.329 11.522 -4.819 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.691 12.312 -3.266 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -10.186 10.574 -2.652 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -10.173 12.342 -2.454 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -11.400 11.571 -3.488 1.00 0.00 H new ATOM 434 N LEU A 35 -9.889 15.118 -3.993 1.00 0.00 N ATOM 435 CA LEU A 35 -9.440 16.309 -3.292 1.00 0.00 C ATOM 436 C LEU A 35 -8.825 15.904 -1.951 1.00 0.00 C ATOM 437 O LEU A 35 -8.170 16.712 -1.294 1.00 0.00 O ATOM 438 CB LEU A 35 -10.584 17.318 -3.164 1.00 0.00 C ATOM 439 CG LEU A 35 -10.450 18.592 -4.000 1.00 0.00 C ATOM 440 CD1 LEU A 35 -11.762 19.379 -4.014 1.00 0.00 C ATOM 441 CD2 LEU A 35 -9.276 19.445 -3.515 1.00 0.00 C ATOM 0 H LEU A 35 -10.892 15.082 -4.174 1.00 0.00 H new ATOM 0 HA LEU A 35 -8.660 16.816 -3.861 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.513 16.821 -3.442 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -10.676 17.603 -2.116 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.236 18.304 -5.029 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -11.639 20.280 -4.615 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.552 18.762 -4.442 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -12.031 19.657 -2.995 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -9.203 20.345 -4.126 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -9.436 19.726 -2.474 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -8.352 18.873 -3.599 1.00 0.00 H new ATOM 453 N ALA A 36 -9.057 14.652 -1.583 1.00 0.00 N ATOM 454 CA ALA A 36 -8.534 14.130 -0.333 1.00 0.00 C ATOM 455 C ALA A 36 -9.453 14.551 0.815 1.00 0.00 C ATOM 456 O ALA A 36 -9.880 13.716 1.612 1.00 0.00 O ATOM 457 CB ALA A 36 -7.097 14.617 -0.137 1.00 0.00 C ATOM 0 H ALA A 36 -9.601 13.984 -2.130 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.509 13.040 -0.353 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.705 14.225 0.801 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.478 14.267 -0.963 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -7.083 15.707 -0.109 1.00 0.00 H new ATOM 463 N LEU A 37 -9.731 15.845 0.864 1.00 0.00 N ATOM 464 CA LEU A 37 -10.593 16.387 1.902 1.00 0.00 C ATOM 465 C LEU A 37 -11.742 15.412 2.165 1.00 0.00 C ATOM 466 O LEU A 37 -12.052 15.109 3.316 1.00 0.00 O ATOM 467 CB LEU A 37 -11.056 17.797 1.531 1.00 0.00 C ATOM 468 CG LEU A 37 -10.043 18.920 1.769 1.00 0.00 C ATOM 469 CD1 LEU A 37 -9.889 19.212 3.262 1.00 0.00 C ATOM 470 CD2 LEU A 37 -8.702 18.598 1.106 1.00 0.00 C ATOM 0 H LEU A 37 -9.375 16.535 0.202 1.00 0.00 H new ATOM 0 HA LEU A 37 -10.043 16.492 2.837 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.333 17.802 0.477 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.959 18.023 2.098 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.423 19.828 1.301 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.164 20.013 3.403 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.851 19.516 3.674 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.542 18.315 3.774 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.000 19.412 1.290 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.303 17.673 1.523 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.846 18.479 0.032 1.00 0.00 H new ATOM 482 N ASP A 38 -12.342 14.947 1.079 1.00 0.00 N ATOM 483 CA ASP A 38 -13.450 14.012 1.178 1.00 0.00 C ATOM 484 C ASP A 38 -12.954 12.704 1.798 1.00 0.00 C ATOM 485 O ASP A 38 -13.581 12.169 2.711 1.00 0.00 O ATOM 486 CB ASP A 38 -14.026 13.693 -0.202 1.00 0.00 C ATOM 487 CG ASP A 38 -15.504 14.044 -0.383 1.00 0.00 C ATOM 488 OD1 ASP A 38 -15.850 15.168 -0.778 1.00 0.00 O ATOM 489 OD2 ASP A 38 -16.330 13.095 -0.097 1.00 0.00 O ATOM 0 H ASP A 38 -12.082 15.200 0.126 1.00 0.00 H new ATOM 0 HA ASP A 38 -14.224 14.470 1.794 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -13.446 14.229 -0.954 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -13.894 12.629 -0.397 1.00 0.00 H new ATOM 495 N ALA A 39 -11.833 12.227 1.277 1.00 0.00 N ATOM 496 CA ALA A 39 -11.246 10.992 1.768 1.00 0.00 C ATOM 497 C ALA A 39 -11.189 11.031 3.296 1.00 0.00 C ATOM 498 O ALA A 39 -11.429 10.022 3.956 1.00 0.00 O ATOM 499 CB ALA A 39 -9.865 10.797 1.138 1.00 0.00 C ATOM 0 H ALA A 39 -11.316 12.674 0.520 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.858 10.137 1.483 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.425 9.870 1.506 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.964 10.746 0.054 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -9.222 11.636 1.405 1.00 0.00 H new ATOM 505 N ALA A 40 -10.869 12.208 3.814 1.00 0.00 N ATOM 506 CA ALA A 40 -10.777 12.392 5.253 1.00 0.00 C ATOM 507 C ALA A 40 -12.161 12.199 5.877 1.00 0.00 C ATOM 508 O ALA A 40 -12.277 11.700 6.995 1.00 0.00 O ATOM 509 CB ALA A 40 -10.190 13.773 5.554 1.00 0.00 C ATOM 0 H ALA A 40 -10.670 13.043 3.263 1.00 0.00 H new ATOM 0 HA ALA A 40 -10.110 11.650 5.693 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -10.121 13.912 6.633 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.196 13.850 5.114 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -10.835 14.543 5.130 1.00 0.00 H new ATOM 515 N ALA A 41 -13.175 12.602 5.126 1.00 0.00 N ATOM 516 CA ALA A 41 -14.546 12.479 5.592 1.00 0.00 C ATOM 517 C ALA A 41 -14.945 11.002 5.604 1.00 0.00 C ATOM 518 O ALA A 41 -15.498 10.513 6.588 1.00 0.00 O ATOM 519 CB ALA A 41 -15.464 13.324 4.706 1.00 0.00 C ATOM 0 H ALA A 41 -13.075 13.014 4.198 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.641 12.854 6.611 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -16.492 13.232 5.055 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -15.156 14.369 4.755 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -15.398 12.974 3.676 1.00 0.00 H new ATOM 525 N PHE A 42 -14.650 10.334 4.499 1.00 0.00 N ATOM 526 CA PHE A 42 -14.971 8.922 4.370 1.00 0.00 C ATOM 527 C PHE A 42 -14.364 8.114 5.518 1.00 0.00 C ATOM 528 O PHE A 42 -14.995 7.195 6.037 1.00 0.00 O ATOM 529 CB PHE A 42 -14.365 8.444 3.049 1.00 0.00 C ATOM 530 CG PHE A 42 -14.195 6.927 2.955 1.00 0.00 C ATOM 531 CD1 PHE A 42 -15.289 6.125 2.861 1.00 0.00 C ATOM 532 CD2 PHE A 42 -12.950 6.380 2.966 1.00 0.00 C ATOM 533 CE1 PHE A 42 -15.131 4.716 2.775 1.00 0.00 C ATOM 534 CE2 PHE A 42 -12.792 4.971 2.879 1.00 0.00 C ATOM 535 CZ PHE A 42 -13.886 4.169 2.786 1.00 0.00 C ATOM 0 H PHE A 42 -14.192 10.744 3.685 1.00 0.00 H new ATOM 0 HA PHE A 42 -16.052 8.783 4.396 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -14.999 8.780 2.228 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -13.392 8.917 2.915 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -16.278 6.559 2.852 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -12.081 7.017 3.041 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -16.000 4.079 2.701 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -11.803 4.537 2.887 1.00 0.00 H new ATOM 0 HZ PHE A 42 -13.766 3.098 2.721 1.00 0.00 H new ATOM 545 N LEU A 43 -13.146 8.487 5.882 1.00 0.00 N ATOM 546 CA LEU A 43 -12.446 7.808 6.959 1.00 0.00 C ATOM 547 C LEU A 43 -13.310 7.840 8.222 1.00 0.00 C ATOM 548 O LEU A 43 -13.444 6.831 8.912 1.00 0.00 O ATOM 549 CB LEU A 43 -11.051 8.407 7.153 1.00 0.00 C ATOM 550 CG LEU A 43 -10.025 8.082 6.066 1.00 0.00 C ATOM 551 CD1 LEU A 43 -8.794 8.982 6.188 1.00 0.00 C ATOM 552 CD2 LEU A 43 -9.655 6.598 6.088 1.00 0.00 C ATOM 0 H LEU A 43 -12.626 9.251 5.450 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.285 6.760 6.708 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.149 9.491 7.220 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -10.659 8.062 8.110 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.478 8.286 5.096 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.080 8.730 5.404 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.094 10.025 6.085 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.329 8.833 7.163 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.924 6.394 5.306 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -9.228 6.344 7.058 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.548 5.998 5.916 1.00 0.00 H new ATOM 564 N LYS A 44 -13.873 9.010 8.486 1.00 0.00 N ATOM 565 CA LYS A 44 -14.721 9.186 9.653 1.00 0.00 C ATOM 566 C LYS A 44 -15.818 8.120 9.647 1.00 0.00 C ATOM 567 O LYS A 44 -16.376 7.793 10.693 1.00 0.00 O ATOM 568 CB LYS A 44 -15.255 10.618 9.715 1.00 0.00 C ATOM 569 CG LYS A 44 -14.112 11.625 9.861 1.00 0.00 C ATOM 570 CD LYS A 44 -14.430 12.664 10.938 1.00 0.00 C ATOM 571 CE LYS A 44 -14.143 14.080 10.435 1.00 0.00 C ATOM 572 NZ LYS A 44 -12.686 14.286 10.270 1.00 0.00 N ATOM 0 H LYS A 44 -13.759 9.845 7.912 1.00 0.00 H new ATOM 0 HA LYS A 44 -14.145 9.045 10.568 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -15.824 10.837 8.811 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -15.942 10.718 10.556 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -13.191 11.101 10.117 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -13.939 12.125 8.908 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -15.477 12.583 11.229 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -13.835 12.463 11.829 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.650 14.244 9.484 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.542 14.810 11.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.509 15.252 9.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.210 14.150 11.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.314 13.601 9.581 1.00 0.00 H new ATOM 583 N LYS A 45 -16.094 7.607 8.457 1.00 0.00 N ATOM 584 CA LYS A 45 -17.114 6.584 8.302 1.00 0.00 C ATOM 585 C LYS A 45 -16.543 5.231 8.730 1.00 0.00 C ATOM 586 O LYS A 45 -17.221 4.209 8.636 1.00 0.00 O ATOM 587 CB LYS A 45 -17.669 6.593 6.876 1.00 0.00 C ATOM 588 CG LYS A 45 -18.066 8.009 6.451 1.00 0.00 C ATOM 589 CD LYS A 45 -19.577 8.115 6.240 1.00 0.00 C ATOM 590 CE LYS A 45 -19.914 8.258 4.755 1.00 0.00 C ATOM 591 NZ LYS A 45 -21.253 8.867 4.583 1.00 0.00 N ATOM 0 H LYS A 45 -15.629 7.881 7.591 1.00 0.00 H new ATOM 0 HA LYS A 45 -17.964 6.792 8.952 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -16.921 6.199 6.188 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -18.536 5.935 6.815 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -17.751 8.723 7.212 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -17.547 8.275 5.530 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -20.067 7.229 6.644 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -19.965 8.973 6.789 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -19.162 8.875 4.263 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -19.888 7.280 4.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -21.466 8.957 3.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -21.969 8.264 5.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -21.265 9.809 5.024 1.00 0.00 H new ATOM 602 N SER A 46 -15.302 5.268 9.193 1.00 0.00 N ATOM 603 CA SER A 46 -14.632 4.057 9.636 1.00 0.00 C ATOM 604 C SER A 46 -15.124 3.669 11.032 1.00 0.00 C ATOM 605 O SER A 46 -15.887 2.716 11.183 1.00 0.00 O ATOM 606 CB SER A 46 -13.113 4.238 9.639 1.00 0.00 C ATOM 607 OG SER A 46 -12.683 5.127 10.666 1.00 0.00 O ATOM 0 H SER A 46 -14.743 6.118 9.271 1.00 0.00 H new ATOM 0 HA SER A 46 -14.873 3.256 8.937 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.633 3.269 9.774 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.792 4.621 8.670 1.00 0.00 H new ATOM 0 HG SER A 46 -12.739 6.051 10.344 1.00 0.00 H new ATOM 613 N GLY A 47 -14.665 4.426 12.018 1.00 0.00 N ATOM 614 CA GLY A 47 -15.048 4.173 13.397 1.00 0.00 C ATOM 615 C GLY A 47 -14.109 4.892 14.368 1.00 0.00 C ATOM 616 O GLY A 47 -14.518 5.278 15.461 1.00 0.00 O ATOM 0 H GLY A 47 -14.031 5.215 11.889 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -16.072 4.508 13.561 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -15.028 3.101 13.593 1.00 0.00 H new ATOM 620 N LEU A 48 -12.867 5.049 13.932 1.00 0.00 N ATOM 621 CA LEU A 48 -11.867 5.714 14.749 1.00 0.00 C ATOM 622 C LEU A 48 -12.206 7.202 14.853 1.00 0.00 C ATOM 623 O LEU A 48 -12.973 7.725 14.046 1.00 0.00 O ATOM 624 CB LEU A 48 -10.463 5.440 14.206 1.00 0.00 C ATOM 625 CG LEU A 48 -9.847 4.092 14.586 1.00 0.00 C ATOM 626 CD1 LEU A 48 -8.744 3.696 13.603 1.00 0.00 C ATOM 627 CD2 LEU A 48 -9.349 4.105 16.033 1.00 0.00 C ATOM 0 H LEU A 48 -12.531 4.727 13.024 1.00 0.00 H new ATOM 0 HA LEU A 48 -11.876 5.313 15.763 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.496 5.508 13.119 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.799 6.231 14.555 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.624 3.331 14.520 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.323 2.734 13.896 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.162 3.618 12.599 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.960 4.453 13.612 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.916 3.135 16.277 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.592 4.880 16.150 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -10.184 4.309 16.703 1.00 0.00 H new ATOM 639 N PRO A 49 -11.604 7.859 15.880 1.00 0.00 N ATOM 640 CA PRO A 49 -11.834 9.276 16.100 1.00 0.00 C ATOM 641 C PRO A 49 -11.079 10.121 15.072 1.00 0.00 C ATOM 642 O PRO A 49 -10.513 9.586 14.120 1.00 0.00 O ATOM 643 CB PRO A 49 -11.380 9.532 17.528 1.00 0.00 C ATOM 644 CG PRO A 49 -10.485 8.360 17.897 1.00 0.00 C ATOM 645 CD PRO A 49 -10.690 7.271 16.856 1.00 0.00 C ATOM 0 HA PRO A 49 -12.880 9.556 15.972 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -10.839 10.475 17.603 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -12.233 9.600 18.203 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.441 8.671 17.924 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -10.733 7.989 18.892 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.746 6.984 16.392 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -11.113 6.371 17.302 1.00 0.00 H new ATOM 653 N ASP A 50 -11.096 11.426 15.299 1.00 0.00 N ATOM 654 CA ASP A 50 -10.420 12.350 14.404 1.00 0.00 C ATOM 655 C ASP A 50 -8.963 12.507 14.846 1.00 0.00 C ATOM 656 O ASP A 50 -8.075 12.691 14.015 1.00 0.00 O ATOM 657 CB ASP A 50 -11.077 13.731 14.439 1.00 0.00 C ATOM 658 CG ASP A 50 -10.215 14.871 13.892 1.00 0.00 C ATOM 659 OD1 ASP A 50 -9.825 14.870 12.715 1.00 0.00 O ATOM 660 OD2 ASP A 50 -9.940 15.802 14.742 1.00 0.00 O ATOM 0 H ASP A 50 -11.567 11.866 16.090 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.482 11.947 13.393 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.004 13.690 13.868 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.347 13.962 15.469 1.00 0.00 H new ATOM 666 N LEU A 51 -8.763 12.430 16.153 1.00 0.00 N ATOM 667 CA LEU A 51 -7.430 12.561 16.715 1.00 0.00 C ATOM 668 C LEU A 51 -6.528 11.468 16.140 1.00 0.00 C ATOM 669 O LEU A 51 -5.608 11.756 15.375 1.00 0.00 O ATOM 670 CB LEU A 51 -7.491 12.566 18.244 1.00 0.00 C ATOM 671 CG LEU A 51 -6.419 11.743 18.961 1.00 0.00 C ATOM 672 CD1 LEU A 51 -5.026 12.064 18.416 1.00 0.00 C ATOM 673 CD2 LEU A 51 -6.501 11.937 20.476 1.00 0.00 C ATOM 0 H LEU A 51 -9.502 12.278 16.839 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.991 13.518 16.433 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.419 13.598 18.587 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -8.470 12.196 18.550 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.607 10.688 18.761 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.283 11.466 18.943 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.990 11.833 17.351 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.812 13.122 18.565 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.728 11.341 20.961 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.352 12.990 20.717 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.481 11.619 20.831 1.00 0.00 H new ATOM 685 N ILE A 52 -6.823 10.236 16.529 1.00 0.00 N ATOM 686 CA ILE A 52 -6.050 9.098 16.061 1.00 0.00 C ATOM 687 C ILE A 52 -5.954 9.145 14.535 1.00 0.00 C ATOM 688 O ILE A 52 -4.920 8.802 13.963 1.00 0.00 O ATOM 689 CB ILE A 52 -6.638 7.793 16.600 1.00 0.00 C ATOM 690 CG1 ILE A 52 -6.528 7.730 18.125 1.00 0.00 C ATOM 691 CG2 ILE A 52 -5.990 6.581 15.928 1.00 0.00 C ATOM 692 CD1 ILE A 52 -5.161 7.192 18.554 1.00 0.00 C ATOM 0 H ILE A 52 -7.587 10.001 17.163 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.032 9.145 16.446 1.00 0.00 H new ATOM 0 HB ILE A 52 -7.699 7.769 16.353 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -6.680 8.724 18.546 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -7.316 7.091 18.524 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.426 5.666 16.329 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.164 6.625 14.853 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.917 6.587 16.122 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.109 7.157 19.642 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.022 6.188 18.152 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.377 7.847 18.174 1.00 0.00 H new ATOM 704 N LEU A 53 -7.045 9.574 13.918 1.00 0.00 N ATOM 705 CA LEU A 53 -7.097 9.670 12.469 1.00 0.00 C ATOM 706 C LEU A 53 -6.052 10.680 11.992 1.00 0.00 C ATOM 707 O LEU A 53 -5.277 10.393 11.080 1.00 0.00 O ATOM 708 CB LEU A 53 -8.519 9.991 12.004 1.00 0.00 C ATOM 709 CG LEU A 53 -9.378 8.792 11.597 1.00 0.00 C ATOM 710 CD1 LEU A 53 -10.775 9.241 11.162 1.00 0.00 C ATOM 711 CD2 LEU A 53 -8.682 7.960 10.519 1.00 0.00 C ATOM 0 H LEU A 53 -7.900 9.859 14.395 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.846 8.712 12.014 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.031 10.524 12.806 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.458 10.673 11.156 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.503 8.150 12.469 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -11.365 8.370 10.878 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -11.265 9.757 11.988 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.691 9.916 10.310 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -9.314 7.114 10.248 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.506 8.579 9.639 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -7.729 7.593 10.901 1.00 0.00 H new ATOM 723 N GLY A 54 -6.063 11.842 12.629 1.00 0.00 N ATOM 724 CA GLY A 54 -5.125 12.896 12.281 1.00 0.00 C ATOM 725 C GLY A 54 -3.725 12.327 12.041 1.00 0.00 C ATOM 726 O GLY A 54 -3.026 12.756 11.125 1.00 0.00 O ATOM 0 H GLY A 54 -6.707 12.077 13.384 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.470 13.413 11.386 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.089 13.635 13.082 1.00 0.00 H new ATOM 730 N LYS A 55 -3.359 11.369 12.880 1.00 0.00 N ATOM 731 CA LYS A 55 -2.055 10.737 12.771 1.00 0.00 C ATOM 732 C LYS A 55 -1.978 9.962 11.454 1.00 0.00 C ATOM 733 O LYS A 55 -0.961 10.006 10.763 1.00 0.00 O ATOM 734 CB LYS A 55 -1.770 9.880 14.006 1.00 0.00 C ATOM 735 CG LYS A 55 -1.529 10.756 15.237 1.00 0.00 C ATOM 736 CD LYS A 55 -0.137 10.508 15.823 1.00 0.00 C ATOM 737 CE LYS A 55 0.052 11.277 17.132 1.00 0.00 C ATOM 738 NZ LYS A 55 1.447 11.151 17.610 1.00 0.00 N ATOM 0 H LYS A 55 -3.943 11.015 13.638 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.267 11.490 12.745 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.610 9.211 14.190 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.897 9.253 13.825 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.631 11.807 14.966 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.288 10.546 15.991 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.002 9.442 16.000 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.624 10.814 15.105 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.194 12.328 16.982 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.634 10.894 17.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.558 11.679 18.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.669 10.148 17.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.095 11.538 16.895 1.00 0.00 H new ATOM 749 N ILE A 56 -3.065 9.271 11.146 1.00 0.00 N ATOM 750 CA ILE A 56 -3.133 8.488 9.924 1.00 0.00 C ATOM 751 C ILE A 56 -2.869 9.399 8.724 1.00 0.00 C ATOM 752 O ILE A 56 -1.964 9.142 7.931 1.00 0.00 O ATOM 753 CB ILE A 56 -4.463 7.735 9.843 1.00 0.00 C ATOM 754 CG1 ILE A 56 -4.476 6.541 10.800 1.00 0.00 C ATOM 755 CG2 ILE A 56 -4.771 7.320 8.403 1.00 0.00 C ATOM 756 CD1 ILE A 56 -5.753 5.716 10.630 1.00 0.00 C ATOM 0 H ILE A 56 -3.906 9.237 11.722 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.358 7.721 9.920 1.00 0.00 H new ATOM 0 HB ILE A 56 -5.258 8.410 10.160 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.605 5.912 10.614 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.401 6.894 11.829 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.721 6.787 8.373 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.833 8.208 7.774 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.978 6.669 8.034 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.737 4.874 11.322 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -6.621 6.341 10.840 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.813 5.344 9.607 1.00 0.00 H new ATOM 768 N TRP A 57 -3.675 10.446 8.627 1.00 0.00 N ATOM 769 CA TRP A 57 -3.540 11.397 7.537 1.00 0.00 C ATOM 770 C TRP A 57 -2.101 11.918 7.540 1.00 0.00 C ATOM 771 O TRP A 57 -1.428 11.898 6.511 1.00 0.00 O ATOM 772 CB TRP A 57 -4.580 12.514 7.651 1.00 0.00 C ATOM 773 CG TRP A 57 -4.710 13.374 6.392 1.00 0.00 C ATOM 774 CD1 TRP A 57 -3.997 14.458 6.057 1.00 0.00 C ATOM 775 CD2 TRP A 57 -5.642 13.176 5.308 1.00 0.00 C ATOM 776 NE1 TRP A 57 -4.400 14.972 4.841 1.00 0.00 N ATOM 777 CE2 TRP A 57 -5.432 14.167 4.371 1.00 0.00 C ATOM 778 CE3 TRP A 57 -6.629 12.192 5.125 1.00 0.00 C ATOM 779 CZ2 TRP A 57 -6.171 14.271 3.186 1.00 0.00 C ATOM 780 CZ3 TRP A 57 -7.359 12.309 3.936 1.00 0.00 C ATOM 781 CH2 TRP A 57 -7.160 13.301 2.983 1.00 0.00 C ATOM 0 H TRP A 57 -4.424 10.657 9.286 1.00 0.00 H new ATOM 0 HA TRP A 57 -3.734 10.915 6.579 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -5.550 12.072 7.878 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -4.318 13.156 8.492 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -3.207 14.877 6.662 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -4.012 15.791 4.373 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -6.810 11.408 5.845 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -5.988 15.057 2.468 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -8.130 11.577 3.746 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -7.766 13.323 2.089 1.00 0.00 H new ATOM 792 N ASP A 58 -1.672 12.373 8.708 1.00 0.00 N ATOM 793 CA ASP A 58 -0.326 12.898 8.859 1.00 0.00 C ATOM 794 C ASP A 58 0.661 11.972 8.145 1.00 0.00 C ATOM 795 O ASP A 58 1.554 12.437 7.439 1.00 0.00 O ATOM 796 CB ASP A 58 0.075 12.970 10.333 1.00 0.00 C ATOM 797 CG ASP A 58 1.117 14.040 10.669 1.00 0.00 C ATOM 798 OD1 ASP A 58 2.199 13.736 11.191 1.00 0.00 O ATOM 799 OD2 ASP A 58 0.775 15.247 10.367 1.00 0.00 O ATOM 0 H ASP A 58 -2.234 12.389 9.559 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.305 13.900 8.430 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.819 13.155 10.928 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.464 11.998 10.636 1.00 0.00 H new ATOM 805 N LEU A 59 0.465 10.678 8.353 1.00 0.00 N ATOM 806 CA LEU A 59 1.327 9.683 7.739 1.00 0.00 C ATOM 807 C LEU A 59 0.880 9.450 6.294 1.00 0.00 C ATOM 808 O LEU A 59 1.687 9.079 5.443 1.00 0.00 O ATOM 809 CB LEU A 59 1.362 8.408 8.585 1.00 0.00 C ATOM 810 CG LEU A 59 1.968 7.174 7.913 1.00 0.00 C ATOM 811 CD1 LEU A 59 0.944 6.482 7.012 1.00 0.00 C ATOM 812 CD2 LEU A 59 3.248 7.535 7.156 1.00 0.00 C ATOM 0 H LEU A 59 -0.278 10.296 8.938 1.00 0.00 H new ATOM 0 HA LEU A 59 2.356 10.041 7.702 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.925 8.615 9.495 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.343 8.169 8.888 1.00 0.00 H new ATOM 0 HG LEU A 59 2.244 6.462 8.691 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.400 5.608 6.547 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.087 6.169 7.609 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.614 7.175 6.238 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.658 6.640 6.688 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.020 8.274 6.388 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.978 7.948 7.852 1.00 0.00 H new ATOM 824 N ALA A 60 -0.405 9.677 6.062 1.00 0.00 N ATOM 825 CA ALA A 60 -0.969 9.496 4.735 1.00 0.00 C ATOM 826 C ALA A 60 -0.390 10.553 3.792 1.00 0.00 C ATOM 827 O ALA A 60 0.304 10.220 2.832 1.00 0.00 O ATOM 828 CB ALA A 60 -2.495 9.560 4.816 1.00 0.00 C ATOM 0 H ALA A 60 -1.071 9.985 6.770 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.705 8.517 4.335 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.918 9.424 3.821 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.858 8.771 5.475 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.798 10.530 5.210 1.00 0.00 H new ATOM 834 N ASP A 61 -0.698 11.805 4.097 1.00 0.00 N ATOM 835 CA ASP A 61 -0.217 12.912 3.289 1.00 0.00 C ATOM 836 C ASP A 61 1.211 12.618 2.826 1.00 0.00 C ATOM 837 O ASP A 61 2.038 12.153 3.609 1.00 0.00 O ATOM 838 CB ASP A 61 -0.195 14.213 4.094 1.00 0.00 C ATOM 839 CG ASP A 61 0.252 15.450 3.312 1.00 0.00 C ATOM 840 OD1 ASP A 61 1.365 15.961 3.507 1.00 0.00 O ATOM 841 OD2 ASP A 61 -0.608 15.896 2.460 1.00 0.00 O ATOM 0 H ASP A 61 -1.275 12.077 4.893 1.00 0.00 H new ATOM 0 HA ASP A 61 -0.890 13.025 2.439 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.194 14.394 4.491 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.469 14.083 4.949 1.00 0.00 H new ATOM 847 N THR A 62 1.458 12.902 1.555 1.00 0.00 N ATOM 848 CA THR A 62 2.772 12.673 0.979 1.00 0.00 C ATOM 849 C THR A 62 3.032 13.659 -0.162 1.00 0.00 C ATOM 850 O THR A 62 4.115 14.236 -0.253 1.00 0.00 O ATOM 851 CB THR A 62 2.850 11.208 0.546 1.00 0.00 C ATOM 852 OG1 THR A 62 2.685 10.478 1.758 1.00 0.00 O ATOM 853 CG2 THR A 62 4.246 10.814 0.061 1.00 0.00 C ATOM 0 H THR A 62 0.770 13.289 0.908 1.00 0.00 H new ATOM 0 HA THR A 62 3.561 12.853 1.709 1.00 0.00 H new ATOM 0 HB THR A 62 2.125 11.026 -0.248 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.755 10.180 1.836 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.246 9.765 -0.234 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.522 11.431 -0.794 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.966 10.965 0.865 1.00 0.00 H new ATOM 861 N ASP A 63 2.022 13.821 -1.003 1.00 0.00 N ATOM 862 CA ASP A 63 2.128 14.727 -2.134 1.00 0.00 C ATOM 863 C ASP A 63 2.400 16.143 -1.624 1.00 0.00 C ATOM 864 O ASP A 63 3.314 16.814 -2.102 1.00 0.00 O ATOM 865 CB ASP A 63 0.828 14.757 -2.940 1.00 0.00 C ATOM 866 CG ASP A 63 0.872 15.612 -4.208 1.00 0.00 C ATOM 867 OD1 ASP A 63 1.928 15.761 -4.841 1.00 0.00 O ATOM 868 OD2 ASP A 63 -0.252 16.146 -4.545 1.00 0.00 O ATOM 0 H ASP A 63 1.126 13.340 -0.924 1.00 0.00 H new ATOM 0 HA ASP A 63 2.940 14.376 -2.771 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.567 13.736 -3.218 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.029 15.127 -2.298 1.00 0.00 H new ATOM 874 N GLY A 64 1.590 16.557 -0.660 1.00 0.00 N ATOM 875 CA GLY A 64 1.733 17.881 -0.080 1.00 0.00 C ATOM 876 C GLY A 64 0.435 18.681 -0.214 1.00 0.00 C ATOM 877 O GLY A 64 -0.217 18.986 0.783 1.00 0.00 O ATOM 0 H GLY A 64 0.833 15.998 -0.266 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.004 17.794 0.972 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.545 18.413 -0.575 1.00 0.00 H new ATOM 881 N LYS A 65 0.099 18.998 -1.456 1.00 0.00 N ATOM 882 CA LYS A 65 -1.109 19.756 -1.734 1.00 0.00 C ATOM 883 C LYS A 65 -2.242 19.248 -0.839 1.00 0.00 C ATOM 884 O LYS A 65 -2.599 19.896 0.144 1.00 0.00 O ATOM 885 CB LYS A 65 -1.439 19.711 -3.227 1.00 0.00 C ATOM 886 CG LYS A 65 -2.214 20.959 -3.656 1.00 0.00 C ATOM 887 CD LYS A 65 -2.321 21.041 -5.180 1.00 0.00 C ATOM 888 CE LYS A 65 -2.667 22.462 -5.629 1.00 0.00 C ATOM 889 NZ LYS A 65 -2.182 22.703 -7.006 1.00 0.00 N ATOM 0 H LYS A 65 0.642 18.744 -2.281 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.960 20.809 -1.496 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -0.518 19.635 -3.804 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.027 18.820 -3.446 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.212 20.940 -3.218 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -1.716 21.850 -3.274 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.378 20.732 -5.632 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.085 20.348 -5.532 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.746 22.611 -5.586 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.218 23.185 -4.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.425 23.672 -7.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.150 22.581 -7.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.630 22.025 -7.655 1.00 0.00 H new ATOM 900 N GLY A 66 -2.775 18.094 -1.212 1.00 0.00 N ATOM 901 CA GLY A 66 -3.860 17.492 -0.455 1.00 0.00 C ATOM 902 C GLY A 66 -4.388 16.239 -1.156 1.00 0.00 C ATOM 903 O GLY A 66 -4.521 15.185 -0.536 1.00 0.00 O ATOM 0 H GLY A 66 -2.476 17.560 -2.028 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.511 17.234 0.545 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.668 18.213 -0.334 1.00 0.00 H new ATOM 907 N VAL A 67 -4.676 16.395 -2.440 1.00 0.00 N ATOM 908 CA VAL A 67 -5.187 15.289 -3.232 1.00 0.00 C ATOM 909 C VAL A 67 -4.472 14.000 -2.822 1.00 0.00 C ATOM 910 O VAL A 67 -3.304 14.030 -2.436 1.00 0.00 O ATOM 911 CB VAL A 67 -5.044 15.603 -4.723 1.00 0.00 C ATOM 912 CG1 VAL A 67 -5.736 14.539 -5.576 1.00 0.00 C ATOM 913 CG2 VAL A 67 -5.583 16.999 -5.043 1.00 0.00 C ATOM 0 H VAL A 67 -4.565 17.271 -2.951 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.251 15.145 -3.044 1.00 0.00 H new ATOM 0 HB VAL A 67 -3.982 15.590 -4.968 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.619 14.786 -6.631 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.286 13.566 -5.379 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.796 14.506 -5.326 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.470 17.197 -6.109 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.638 17.052 -4.774 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -5.026 17.743 -4.474 1.00 0.00 H new ATOM 923 N LEU A 68 -5.202 12.899 -2.919 1.00 0.00 N ATOM 924 CA LEU A 68 -4.653 11.602 -2.563 1.00 0.00 C ATOM 925 C LEU A 68 -4.241 10.861 -3.836 1.00 0.00 C ATOM 926 O LEU A 68 -4.660 11.224 -4.934 1.00 0.00 O ATOM 927 CB LEU A 68 -5.638 10.824 -1.689 1.00 0.00 C ATOM 928 CG LEU A 68 -6.021 11.481 -0.361 1.00 0.00 C ATOM 929 CD1 LEU A 68 -6.788 10.504 0.532 1.00 0.00 C ATOM 930 CD2 LEU A 68 -4.789 12.055 0.342 1.00 0.00 C ATOM 0 H LEU A 68 -6.170 12.878 -3.239 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.754 11.722 -1.959 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.549 10.656 -2.264 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.209 9.845 -1.477 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.689 12.316 -0.572 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -7.048 10.996 1.469 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.698 10.185 0.024 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.165 9.634 0.739 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.089 12.516 1.283 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.077 11.254 0.541 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.322 12.805 -0.297 1.00 0.00 H new ATOM 942 N SER A 69 -3.425 9.834 -3.647 1.00 0.00 N ATOM 943 CA SER A 69 -2.952 9.038 -4.767 1.00 0.00 C ATOM 944 C SER A 69 -3.569 7.639 -4.712 1.00 0.00 C ATOM 945 O SER A 69 -4.696 7.472 -4.248 1.00 0.00 O ATOM 946 CB SER A 69 -1.425 8.944 -4.770 1.00 0.00 C ATOM 947 OG SER A 69 -0.814 10.174 -4.389 1.00 0.00 O ATOM 0 H SER A 69 -3.079 9.535 -2.735 1.00 0.00 H new ATOM 0 HA SER A 69 -3.261 9.529 -5.690 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.109 8.155 -4.087 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.081 8.661 -5.765 1.00 0.00 H new ATOM 0 HG SER A 69 0.161 10.073 -4.402 1.00 0.00 H new ATOM 953 N LYS A 70 -2.804 6.670 -5.192 1.00 0.00 N ATOM 954 CA LYS A 70 -3.261 5.291 -5.203 1.00 0.00 C ATOM 955 C LYS A 70 -3.002 4.661 -3.833 1.00 0.00 C ATOM 956 O LYS A 70 -3.798 4.825 -2.910 1.00 0.00 O ATOM 957 CB LYS A 70 -2.623 4.524 -6.363 1.00 0.00 C ATOM 958 CG LYS A 70 -3.363 4.799 -7.674 1.00 0.00 C ATOM 959 CD LYS A 70 -2.564 5.753 -8.565 1.00 0.00 C ATOM 960 CE LYS A 70 -3.187 5.851 -9.959 1.00 0.00 C ATOM 961 NZ LYS A 70 -2.132 5.865 -10.998 1.00 0.00 N ATOM 0 H LYS A 70 -1.870 6.813 -5.576 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.336 5.248 -5.376 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.577 4.814 -6.464 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.639 3.455 -6.150 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.535 3.861 -8.202 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.341 5.229 -7.460 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.530 6.742 -8.107 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.535 5.404 -8.646 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.857 5.008 -10.124 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.790 6.756 -10.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.572 5.932 -11.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.508 6.684 -10.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.574 4.989 -10.938 1.00 0.00 H new ATOM 972 N GLN A 71 -1.885 3.953 -3.745 1.00 0.00 N ATOM 973 CA GLN A 71 -1.511 3.297 -2.503 1.00 0.00 C ATOM 974 C GLN A 71 -1.728 4.241 -1.319 1.00 0.00 C ATOM 975 O GLN A 71 -2.002 3.793 -0.206 1.00 0.00 O ATOM 976 CB GLN A 71 -0.063 2.808 -2.557 1.00 0.00 C ATOM 977 CG GLN A 71 0.904 3.977 -2.754 1.00 0.00 C ATOM 978 CD GLN A 71 1.334 4.566 -1.409 1.00 0.00 C ATOM 979 OE1 GLN A 71 0.816 5.570 -0.948 1.00 0.00 O ATOM 980 NE2 GLN A 71 2.306 3.888 -0.807 1.00 0.00 N ATOM 0 H GLN A 71 -1.227 3.819 -4.513 1.00 0.00 H new ATOM 0 HA GLN A 71 -2.150 2.424 -2.368 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.181 2.281 -1.635 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.053 2.094 -3.372 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.782 3.638 -3.304 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.428 4.750 -3.358 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.696 3.055 -1.248 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.662 4.201 0.096 1.00 0.00 H new ATOM 989 N GLU A 72 -1.597 5.529 -1.598 1.00 0.00 N ATOM 990 CA GLU A 72 -1.775 6.539 -0.569 1.00 0.00 C ATOM 991 C GLU A 72 -3.080 6.299 0.191 1.00 0.00 C ATOM 992 O GLU A 72 -3.076 5.702 1.267 1.00 0.00 O ATOM 993 CB GLU A 72 -1.742 7.946 -1.170 1.00 0.00 C ATOM 994 CG GLU A 72 -0.401 8.629 -0.894 1.00 0.00 C ATOM 995 CD GLU A 72 -0.594 9.907 -0.075 1.00 0.00 C ATOM 996 OE1 GLU A 72 -1.195 9.864 1.008 1.00 0.00 O ATOM 997 OE2 GLU A 72 -0.093 10.973 -0.601 1.00 0.00 O ATOM 0 H GLU A 72 -1.370 5.897 -2.522 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.947 6.461 0.136 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.911 7.890 -2.245 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.552 8.543 -0.751 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.256 7.945 -0.357 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.090 8.868 -1.837 1.00 0.00 H new ATOM 1005 N PHE A 73 -4.167 6.775 -0.398 1.00 0.00 N ATOM 1006 CA PHE A 73 -5.478 6.619 0.211 1.00 0.00 C ATOM 1007 C PHE A 73 -5.733 5.161 0.596 1.00 0.00 C ATOM 1008 O PHE A 73 -6.428 4.886 1.573 1.00 0.00 O ATOM 1009 CB PHE A 73 -6.510 7.046 -0.835 1.00 0.00 C ATOM 1010 CG PHE A 73 -7.929 6.553 -0.546 1.00 0.00 C ATOM 1011 CD1 PHE A 73 -8.293 5.289 -0.890 1.00 0.00 C ATOM 1012 CD2 PHE A 73 -8.826 7.379 0.056 1.00 0.00 C ATOM 1013 CE1 PHE A 73 -9.610 4.831 -0.622 1.00 0.00 C ATOM 1014 CE2 PHE A 73 -10.144 6.921 0.325 1.00 0.00 C ATOM 1015 CZ PHE A 73 -10.508 5.657 -0.020 1.00 0.00 C ATOM 0 H PHE A 73 -4.167 7.269 -1.290 1.00 0.00 H new ATOM 0 HA PHE A 73 -5.542 7.222 1.116 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.520 8.134 -0.897 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.199 6.674 -1.811 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.580 4.633 -1.367 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -8.537 8.383 0.330 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -9.899 3.827 -0.896 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -10.857 7.577 0.803 1.00 0.00 H new ATOM 0 HZ PHE A 73 -11.510 5.309 0.184 1.00 0.00 H new ATOM 1025 N PHE A 74 -5.157 4.264 -0.191 1.00 0.00 N ATOM 1026 CA PHE A 74 -5.313 2.841 0.055 1.00 0.00 C ATOM 1027 C PHE A 74 -4.560 2.417 1.318 1.00 0.00 C ATOM 1028 O PHE A 74 -4.868 1.385 1.912 1.00 0.00 O ATOM 1029 CB PHE A 74 -4.718 2.110 -1.150 1.00 0.00 C ATOM 1030 CG PHE A 74 -5.760 1.611 -2.152 1.00 0.00 C ATOM 1031 CD1 PHE A 74 -6.457 2.500 -2.909 1.00 0.00 C ATOM 1032 CD2 PHE A 74 -5.989 0.277 -2.287 1.00 0.00 C ATOM 1033 CE1 PHE A 74 -7.424 2.037 -3.839 1.00 0.00 C ATOM 1034 CE2 PHE A 74 -6.956 -0.187 -3.218 1.00 0.00 C ATOM 1035 CZ PHE A 74 -7.653 0.703 -3.974 1.00 0.00 C ATOM 0 H PHE A 74 -4.581 4.496 -1.000 1.00 0.00 H new ATOM 0 HA PHE A 74 -6.367 2.601 0.195 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -4.027 2.779 -1.663 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -4.135 1.261 -0.795 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -6.275 3.559 -2.802 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -5.435 -0.429 -1.686 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -7.978 2.744 -4.439 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -7.138 -1.246 -3.326 1.00 0.00 H new ATOM 0 HZ PHE A 74 -8.389 0.350 -4.682 1.00 0.00 H new ATOM 1045 N VAL A 75 -3.587 3.236 1.690 1.00 0.00 N ATOM 1046 CA VAL A 75 -2.787 2.958 2.871 1.00 0.00 C ATOM 1047 C VAL A 75 -3.525 3.466 4.112 1.00 0.00 C ATOM 1048 O VAL A 75 -3.876 2.683 4.993 1.00 0.00 O ATOM 1049 CB VAL A 75 -1.393 3.568 2.714 1.00 0.00 C ATOM 1050 CG1 VAL A 75 -0.823 3.990 4.070 1.00 0.00 C ATOM 1051 CG2 VAL A 75 -0.449 2.600 1.999 1.00 0.00 C ATOM 0 H VAL A 75 -3.335 4.091 1.195 1.00 0.00 H new ATOM 0 HA VAL A 75 -2.646 1.884 2.993 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.486 4.462 2.097 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.169 4.420 3.930 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.479 4.731 4.526 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.752 3.119 4.722 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.535 3.058 1.900 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.365 1.680 2.577 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -0.844 2.371 1.009 1.00 0.00 H new ATOM 1061 N ALA A 76 -3.738 4.773 4.141 1.00 0.00 N ATOM 1062 CA ALA A 76 -4.428 5.394 5.259 1.00 0.00 C ATOM 1063 C ALA A 76 -5.693 4.596 5.580 1.00 0.00 C ATOM 1064 O ALA A 76 -6.167 4.605 6.715 1.00 0.00 O ATOM 1065 CB ALA A 76 -4.730 6.856 4.925 1.00 0.00 C ATOM 0 H ALA A 76 -3.445 5.419 3.408 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.799 5.386 6.149 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.248 7.321 5.764 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.797 7.386 4.735 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.361 6.904 4.038 1.00 0.00 H new ATOM 1071 N LEU A 77 -6.205 3.924 4.559 1.00 0.00 N ATOM 1072 CA LEU A 77 -7.406 3.122 4.717 1.00 0.00 C ATOM 1073 C LEU A 77 -7.113 1.953 5.660 1.00 0.00 C ATOM 1074 O LEU A 77 -7.542 1.958 6.812 1.00 0.00 O ATOM 1075 CB LEU A 77 -7.946 2.691 3.352 1.00 0.00 C ATOM 1076 CG LEU A 77 -9.421 3.000 3.086 1.00 0.00 C ATOM 1077 CD1 LEU A 77 -9.829 2.556 1.680 1.00 0.00 C ATOM 1078 CD2 LEU A 77 -10.314 2.383 4.164 1.00 0.00 C ATOM 0 H LEU A 77 -5.810 3.919 3.619 1.00 0.00 H new ATOM 0 HA LEU A 77 -8.200 3.711 5.176 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.349 3.174 2.578 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.796 1.617 3.247 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.558 4.080 3.135 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -10.882 2.787 1.517 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.223 3.082 0.942 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.673 1.482 1.578 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -11.357 2.618 3.951 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.180 1.301 4.172 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.042 2.790 5.138 1.00 0.00 H new ATOM 1090 N ARG A 78 -6.384 0.979 5.134 1.00 0.00 N ATOM 1091 CA ARG A 78 -6.029 -0.194 5.915 1.00 0.00 C ATOM 1092 C ARG A 78 -5.402 0.224 7.246 1.00 0.00 C ATOM 1093 O ARG A 78 -5.524 -0.484 8.244 1.00 0.00 O ATOM 1094 CB ARG A 78 -5.046 -1.085 5.153 1.00 0.00 C ATOM 1095 CG ARG A 78 -5.763 -1.892 4.070 1.00 0.00 C ATOM 1096 CD ARG A 78 -6.941 -2.672 4.657 1.00 0.00 C ATOM 1097 NE ARG A 78 -8.187 -1.884 4.523 1.00 0.00 N ATOM 1098 CZ ARG A 78 -9.422 -2.426 4.462 1.00 0.00 C ATOM 1099 NH1 ARG A 78 -9.587 -3.765 4.521 1.00 0.00 N ATOM 1100 NH2 ARG A 78 -10.466 -1.627 4.342 1.00 0.00 N ATOM 0 H ARG A 78 -6.030 0.978 4.177 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.943 -0.757 6.102 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.269 -0.470 4.699 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.550 -1.763 5.848 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.120 -1.222 3.288 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.062 -2.583 3.602 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.048 -3.627 4.143 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.753 -2.895 5.707 1.00 0.00 H new ATOM 0 HE ARG A 78 -8.108 -0.868 4.474 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.775 -4.375 4.612 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.524 -4.166 4.474 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -10.333 -0.617 4.297 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -11.406 -2.020 4.294 1.00 0.00 H new ATOM 1113 N LEU A 79 -4.743 1.374 7.218 1.00 0.00 N ATOM 1114 CA LEU A 79 -4.097 1.895 8.411 1.00 0.00 C ATOM 1115 C LEU A 79 -5.137 2.057 9.520 1.00 0.00 C ATOM 1116 O LEU A 79 -4.883 1.705 10.671 1.00 0.00 O ATOM 1117 CB LEU A 79 -3.335 3.182 8.088 1.00 0.00 C ATOM 1118 CG LEU A 79 -2.008 3.379 8.824 1.00 0.00 C ATOM 1119 CD1 LEU A 79 -1.262 4.604 8.291 1.00 0.00 C ATOM 1120 CD2 LEU A 79 -2.225 3.453 10.336 1.00 0.00 C ATOM 0 H LEU A 79 -4.643 1.959 6.388 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.349 1.192 8.777 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.140 3.206 7.016 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.982 4.030 8.313 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.379 2.510 8.632 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.322 4.721 8.831 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.056 4.471 7.229 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.875 5.494 8.433 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.266 3.593 10.835 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.881 4.292 10.569 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.683 2.527 10.684 1.00 0.00 H new ATOM 1132 N VAL A 80 -6.287 2.590 9.136 1.00 0.00 N ATOM 1133 CA VAL A 80 -7.368 2.804 10.084 1.00 0.00 C ATOM 1134 C VAL A 80 -7.691 1.484 10.787 1.00 0.00 C ATOM 1135 O VAL A 80 -8.002 1.471 11.977 1.00 0.00 O ATOM 1136 CB VAL A 80 -8.577 3.413 9.371 1.00 0.00 C ATOM 1137 CG1 VAL A 80 -9.738 3.624 10.345 1.00 0.00 C ATOM 1138 CG2 VAL A 80 -8.200 4.722 8.675 1.00 0.00 C ATOM 0 H VAL A 80 -6.494 2.880 8.181 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.068 3.517 10.852 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.905 2.709 8.606 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -10.585 4.058 9.813 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -10.031 2.666 10.774 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -9.426 4.299 11.142 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -9.077 5.134 8.176 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.834 5.435 9.414 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -7.420 4.531 7.938 1.00 0.00 H new ATOM 1148 N ALA A 81 -7.606 0.406 10.022 1.00 0.00 N ATOM 1149 CA ALA A 81 -7.886 -0.916 10.557 1.00 0.00 C ATOM 1150 C ALA A 81 -6.856 -1.252 11.638 1.00 0.00 C ATOM 1151 O ALA A 81 -7.069 -2.156 12.444 1.00 0.00 O ATOM 1152 CB ALA A 81 -7.890 -1.937 9.418 1.00 0.00 C ATOM 0 H ALA A 81 -7.347 0.421 9.036 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.872 -0.942 11.021 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -8.100 -2.929 9.819 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.658 -1.669 8.692 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -6.915 -1.942 8.930 1.00 0.00 H new ATOM 1158 N CYS A 82 -5.762 -0.505 11.620 1.00 0.00 N ATOM 1159 CA CYS A 82 -4.698 -0.713 12.589 1.00 0.00 C ATOM 1160 C CYS A 82 -5.136 -0.100 13.921 1.00 0.00 C ATOM 1161 O CYS A 82 -5.424 -0.821 14.875 1.00 0.00 O ATOM 1162 CB CYS A 82 -3.369 -0.132 12.102 1.00 0.00 C ATOM 1163 SG CYS A 82 -1.991 -1.235 12.585 1.00 0.00 S ATOM 0 H CYS A 82 -5.589 0.245 10.950 1.00 0.00 H new ATOM 0 HA CYS A 82 -4.525 -1.781 12.721 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -3.389 -0.014 11.019 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -3.218 0.860 12.528 1.00 0.00 H new ATOM 0 HG CYS A 82 -0.864 -0.598 12.469 1.00 0.00 H new ATOM 1169 N ALA A 83 -5.170 1.225 13.943 1.00 0.00 N ATOM 1170 CA ALA A 83 -5.567 1.943 15.142 1.00 0.00 C ATOM 1171 C ALA A 83 -6.890 1.372 15.659 1.00 0.00 C ATOM 1172 O ALA A 83 -7.205 1.498 16.841 1.00 0.00 O ATOM 1173 CB ALA A 83 -5.659 3.439 14.835 1.00 0.00 C ATOM 0 H ALA A 83 -4.929 1.819 13.150 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.823 1.817 15.928 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.957 3.977 15.735 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.687 3.802 14.500 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.398 3.605 14.051 1.00 0.00 H new ATOM 1179 N GLN A 84 -7.628 0.756 14.747 1.00 0.00 N ATOM 1180 CA GLN A 84 -8.909 0.165 15.096 1.00 0.00 C ATOM 1181 C GLN A 84 -8.736 -0.844 16.233 1.00 0.00 C ATOM 1182 O GLN A 84 -9.677 -1.113 16.978 1.00 0.00 O ATOM 1183 CB GLN A 84 -9.561 -0.489 13.877 1.00 0.00 C ATOM 1184 CG GLN A 84 -10.294 0.549 13.024 1.00 0.00 C ATOM 1185 CD GLN A 84 -11.809 0.351 13.100 1.00 0.00 C ATOM 1186 OE1 GLN A 84 -12.308 -0.599 13.681 1.00 0.00 O ATOM 1187 NE2 GLN A 84 -12.510 1.298 12.484 1.00 0.00 N ATOM 0 H GLN A 84 -7.363 0.653 13.767 1.00 0.00 H new ATOM 0 HA GLN A 84 -9.572 0.959 15.439 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -8.800 -0.987 13.276 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -10.262 -1.257 14.203 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.037 1.552 13.365 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -9.965 0.471 11.988 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -12.029 2.066 12.017 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -13.529 1.256 12.479 1.00 0.00 H new ATOM 1196 N ASN A 85 -7.526 -1.376 16.330 1.00 0.00 N ATOM 1197 CA ASN A 85 -7.218 -2.350 17.363 1.00 0.00 C ATOM 1198 C ASN A 85 -6.406 -1.674 18.470 1.00 0.00 C ATOM 1199 O ASN A 85 -6.293 -2.204 19.574 1.00 0.00 O ATOM 1200 CB ASN A 85 -6.383 -3.503 16.802 1.00 0.00 C ATOM 1201 CG ASN A 85 -6.131 -4.568 17.871 1.00 0.00 C ATOM 1202 OD1 ASN A 85 -6.691 -4.543 18.954 1.00 0.00 O ATOM 1203 ND2 ASN A 85 -5.258 -5.504 17.507 1.00 0.00 N ATOM 0 H ASN A 85 -6.748 -1.151 15.710 1.00 0.00 H new ATOM 0 HA ASN A 85 -8.160 -2.741 17.749 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -6.899 -3.950 15.952 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -5.431 -3.121 16.432 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -5.022 -6.259 18.151 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -4.825 -5.466 16.584 1.00 0.00 H new ATOM 1210 N GLY A 86 -5.861 -0.513 18.135 1.00 0.00 N ATOM 1211 CA GLY A 86 -5.063 0.241 19.087 1.00 0.00 C ATOM 1212 C GLY A 86 -3.579 0.191 18.719 1.00 0.00 C ATOM 1213 O GLY A 86 -2.724 0.562 19.521 1.00 0.00 O ATOM 0 H GLY A 86 -5.956 -0.077 17.218 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -5.401 1.277 19.110 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.207 -0.164 20.089 1.00 0.00 H new ATOM 1217 N LEU A 87 -3.318 -0.271 17.505 1.00 0.00 N ATOM 1218 CA LEU A 87 -1.952 -0.374 17.020 1.00 0.00 C ATOM 1219 C LEU A 87 -1.460 1.011 16.597 1.00 0.00 C ATOM 1220 O LEU A 87 -2.233 1.967 16.570 1.00 0.00 O ATOM 1221 CB LEU A 87 -1.854 -1.427 15.914 1.00 0.00 C ATOM 1222 CG LEU A 87 -2.127 -2.872 16.337 1.00 0.00 C ATOM 1223 CD1 LEU A 87 -2.446 -3.747 15.124 1.00 0.00 C ATOM 1224 CD2 LEU A 87 -0.963 -3.432 17.158 1.00 0.00 C ATOM 0 H LEU A 87 -4.030 -0.578 16.842 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.290 -0.718 17.815 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.557 -1.162 15.124 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.855 -1.379 15.481 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.007 -2.880 16.980 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -2.636 -4.769 15.452 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.329 -3.358 14.617 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.600 -3.738 14.436 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.182 -4.460 17.446 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.052 -3.409 16.560 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.825 -2.826 18.053 1.00 0.00 H new ATOM 1236 N GLU A 88 -0.176 1.075 16.276 1.00 0.00 N ATOM 1237 CA GLU A 88 0.429 2.327 15.855 1.00 0.00 C ATOM 1238 C GLU A 88 -0.395 2.963 14.734 1.00 0.00 C ATOM 1239 O GLU A 88 -1.194 2.289 14.086 1.00 0.00 O ATOM 1240 CB GLU A 88 1.880 2.115 15.417 1.00 0.00 C ATOM 1241 CG GLU A 88 2.775 3.250 15.919 1.00 0.00 C ATOM 1242 CD GLU A 88 2.644 3.423 17.434 1.00 0.00 C ATOM 1243 OE1 GLU A 88 2.181 4.474 17.900 1.00 0.00 O ATOM 1244 OE2 GLU A 88 3.043 2.415 18.134 1.00 0.00 O ATOM 0 H GLU A 88 0.462 0.280 16.299 1.00 0.00 H new ATOM 0 HA GLU A 88 0.437 3.009 16.705 1.00 0.00 H new ATOM 0 HB2 GLU A 88 2.244 1.162 15.802 1.00 0.00 H new ATOM 0 HB3 GLU A 88 1.931 2.060 14.330 1.00 0.00 H new ATOM 0 HG2 GLU A 88 3.813 3.040 15.662 1.00 0.00 H new ATOM 0 HG3 GLU A 88 2.504 4.180 15.419 1.00 0.00 H new ATOM 1252 N VAL A 89 -0.171 4.255 14.539 1.00 0.00 N ATOM 1253 CA VAL A 89 -0.883 4.990 13.507 1.00 0.00 C ATOM 1254 C VAL A 89 0.052 5.228 12.320 1.00 0.00 C ATOM 1255 O VAL A 89 -0.351 5.812 11.315 1.00 0.00 O ATOM 1256 CB VAL A 89 -1.455 6.285 14.087 1.00 0.00 C ATOM 1257 CG1 VAL A 89 -2.329 7.007 13.060 1.00 0.00 C ATOM 1258 CG2 VAL A 89 -2.234 6.012 15.375 1.00 0.00 C ATOM 0 H VAL A 89 0.493 4.811 15.078 1.00 0.00 H new ATOM 0 HA VAL A 89 -1.731 4.411 13.142 1.00 0.00 H new ATOM 0 HB VAL A 89 -0.619 6.939 14.334 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.723 7.924 13.498 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.732 7.252 12.182 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.156 6.360 12.767 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.630 6.949 15.766 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.058 5.330 15.164 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.570 5.562 16.113 1.00 0.00 H new ATOM 1268 N SER A 90 1.283 4.764 12.475 1.00 0.00 N ATOM 1269 CA SER A 90 2.279 4.919 11.428 1.00 0.00 C ATOM 1270 C SER A 90 2.308 3.671 10.544 1.00 0.00 C ATOM 1271 O SER A 90 1.764 2.632 10.914 1.00 0.00 O ATOM 1272 CB SER A 90 3.665 5.183 12.021 1.00 0.00 C ATOM 1273 OG SER A 90 3.863 6.561 12.323 1.00 0.00 O ATOM 0 H SER A 90 1.614 4.280 13.310 1.00 0.00 H new ATOM 0 HA SER A 90 2.004 5.780 10.819 1.00 0.00 H new ATOM 0 HB2 SER A 90 3.790 4.592 12.928 1.00 0.00 H new ATOM 0 HB3 SER A 90 4.429 4.853 11.317 1.00 0.00 H new ATOM 0 HG SER A 90 4.758 6.688 12.701 1.00 0.00 H new ATOM 1279 N LEU A 91 2.948 3.815 9.393 1.00 0.00 N ATOM 1280 CA LEU A 91 3.055 2.712 8.453 1.00 0.00 C ATOM 1281 C LEU A 91 3.814 1.558 9.112 1.00 0.00 C ATOM 1282 O LEU A 91 3.695 0.410 8.687 1.00 0.00 O ATOM 1283 CB LEU A 91 3.678 3.186 7.139 1.00 0.00 C ATOM 1284 CG LEU A 91 2.702 3.448 5.990 1.00 0.00 C ATOM 1285 CD1 LEU A 91 3.438 3.960 4.751 1.00 0.00 C ATOM 1286 CD2 LEU A 91 1.866 2.202 5.686 1.00 0.00 C ATOM 0 H LEU A 91 3.398 4.679 9.090 1.00 0.00 H new ATOM 0 HA LEU A 91 2.065 2.336 8.193 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.234 4.103 7.334 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.401 2.438 6.812 1.00 0.00 H new ATOM 0 HG LEU A 91 2.011 4.232 6.301 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.721 4.138 3.950 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.952 4.891 4.992 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.167 3.217 4.427 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.181 2.415 4.866 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.526 1.381 5.404 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.296 1.921 6.572 1.00 0.00 H new ATOM 1298 N SER A 92 4.576 1.904 10.139 1.00 0.00 N ATOM 1299 CA SER A 92 5.354 0.911 10.860 1.00 0.00 C ATOM 1300 C SER A 92 4.458 -0.258 11.273 1.00 0.00 C ATOM 1301 O SER A 92 4.805 -1.418 11.054 1.00 0.00 O ATOM 1302 CB SER A 92 6.025 1.525 12.091 1.00 0.00 C ATOM 1303 OG SER A 92 7.350 1.968 11.811 1.00 0.00 O ATOM 0 H SER A 92 4.671 2.857 10.489 1.00 0.00 H new ATOM 0 HA SER A 92 6.137 0.544 10.197 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.429 2.365 12.447 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.051 0.789 12.895 1.00 0.00 H new ATOM 0 HG SER A 92 7.744 2.355 12.621 1.00 0.00 H new ATOM 1309 N SER A 93 3.322 0.087 11.862 1.00 0.00 N ATOM 1310 CA SER A 93 2.373 -0.919 12.306 1.00 0.00 C ATOM 1311 C SER A 93 1.659 -1.534 11.101 1.00 0.00 C ATOM 1312 O SER A 93 1.142 -2.646 11.183 1.00 0.00 O ATOM 1313 CB SER A 93 1.355 -0.323 13.280 1.00 0.00 C ATOM 1314 OG SER A 93 0.586 0.716 12.679 1.00 0.00 O ATOM 0 H SER A 93 3.038 1.050 12.042 1.00 0.00 H new ATOM 0 HA SER A 93 2.923 -1.700 12.831 1.00 0.00 H new ATOM 0 HB2 SER A 93 0.688 -1.109 13.634 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.876 0.070 14.153 1.00 0.00 H new ATOM 0 HG SER A 93 1.134 1.187 12.017 1.00 0.00 H new ATOM 1320 N LEU A 94 1.654 -0.782 10.010 1.00 0.00 N ATOM 1321 CA LEU A 94 1.012 -1.239 8.789 1.00 0.00 C ATOM 1322 C LEU A 94 1.759 -2.460 8.251 1.00 0.00 C ATOM 1323 O LEU A 94 1.144 -3.386 7.723 1.00 0.00 O ATOM 1324 CB LEU A 94 0.900 -0.093 7.781 1.00 0.00 C ATOM 1325 CG LEU A 94 -0.238 -0.203 6.764 1.00 0.00 C ATOM 1326 CD1 LEU A 94 0.286 -0.668 5.404 1.00 0.00 C ATOM 1327 CD2 LEU A 94 -1.355 -1.108 7.287 1.00 0.00 C ATOM 0 H LEU A 94 2.084 0.141 9.946 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.011 -1.555 8.992 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.779 0.839 8.333 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.842 -0.021 7.237 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.667 0.789 6.622 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.543 -0.738 4.699 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.019 0.048 5.032 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.756 -1.646 5.510 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.151 -1.169 6.545 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.957 -2.105 7.475 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.754 -0.695 8.214 1.00 0.00 H new ATOM 1339 N SER A 95 3.075 -2.424 8.404 1.00 0.00 N ATOM 1340 CA SER A 95 3.912 -3.517 7.941 1.00 0.00 C ATOM 1341 C SER A 95 3.412 -4.842 8.518 1.00 0.00 C ATOM 1342 O SER A 95 3.643 -5.903 7.940 1.00 0.00 O ATOM 1343 CB SER A 95 5.376 -3.290 8.324 1.00 0.00 C ATOM 1344 OG SER A 95 5.587 -3.425 9.727 1.00 0.00 O ATOM 0 H SER A 95 3.582 -1.655 8.842 1.00 0.00 H new ATOM 0 HA SER A 95 3.851 -3.557 6.853 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.005 -4.004 7.792 1.00 0.00 H new ATOM 0 HB3 SER A 95 5.684 -2.294 8.005 1.00 0.00 H new ATOM 0 HG SER A 95 5.623 -2.537 10.139 1.00 0.00 H new ATOM 1350 N LEU A 96 2.734 -4.738 9.652 1.00 0.00 N ATOM 1351 CA LEU A 96 2.199 -5.915 10.315 1.00 0.00 C ATOM 1352 C LEU A 96 0.934 -6.374 9.587 1.00 0.00 C ATOM 1353 O LEU A 96 0.683 -5.965 8.454 1.00 0.00 O ATOM 1354 CB LEU A 96 1.986 -5.641 11.805 1.00 0.00 C ATOM 1355 CG LEU A 96 3.118 -4.900 12.519 1.00 0.00 C ATOM 1356 CD1 LEU A 96 2.566 -3.970 13.602 1.00 0.00 C ATOM 1357 CD2 LEU A 96 4.149 -5.882 13.078 1.00 0.00 C ATOM 0 H LEU A 96 2.543 -3.856 10.128 1.00 0.00 H new ATOM 0 HA LEU A 96 2.912 -6.738 10.265 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.070 -5.062 11.920 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.827 -6.594 12.310 1.00 0.00 H new ATOM 0 HG LEU A 96 3.632 -4.275 11.789 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.391 -3.455 14.095 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.900 -3.237 13.147 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.013 -4.555 14.337 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.943 -5.329 13.580 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.666 -6.551 13.790 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.574 -6.467 12.262 1.00 0.00 H new ATOM 1369 N ALA A 97 0.171 -7.217 10.267 1.00 0.00 N ATOM 1370 CA ALA A 97 -1.062 -7.735 9.699 1.00 0.00 C ATOM 1371 C ALA A 97 -2.254 -7.034 10.353 1.00 0.00 C ATOM 1372 O ALA A 97 -3.048 -7.669 11.046 1.00 0.00 O ATOM 1373 CB ALA A 97 -1.108 -9.254 9.878 1.00 0.00 C ATOM 0 H ALA A 97 0.383 -7.554 11.206 1.00 0.00 H new ATOM 0 HA ALA A 97 -1.107 -7.532 8.629 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.033 -9.643 9.452 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -0.256 -9.706 9.370 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.068 -9.497 10.940 1.00 0.00 H new ATOM 1379 N VAL A 98 -2.342 -5.735 10.111 1.00 0.00 N ATOM 1380 CA VAL A 98 -3.424 -4.941 10.668 1.00 0.00 C ATOM 1381 C VAL A 98 -4.741 -5.706 10.520 1.00 0.00 C ATOM 1382 O VAL A 98 -4.935 -6.432 9.546 1.00 0.00 O ATOM 1383 CB VAL A 98 -3.457 -3.562 10.005 1.00 0.00 C ATOM 1384 CG1 VAL A 98 -2.077 -2.902 10.047 1.00 0.00 C ATOM 1385 CG2 VAL A 98 -3.977 -3.655 8.570 1.00 0.00 C ATOM 0 H VAL A 98 -1.681 -5.212 9.536 1.00 0.00 H new ATOM 0 HA VAL A 98 -3.264 -4.772 11.733 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.147 -2.935 10.570 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.127 -1.923 9.570 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -1.761 -2.784 11.084 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -1.358 -3.528 9.518 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -3.990 -2.661 8.123 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -3.325 -4.306 7.988 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -4.987 -4.064 8.575 1.00 0.00 H new ATOM 1395 N PRO A 99 -5.635 -5.512 11.526 1.00 0.00 N ATOM 1396 CA PRO A 99 -6.928 -6.175 11.517 1.00 0.00 C ATOM 1397 C PRO A 99 -7.872 -5.522 10.506 1.00 0.00 C ATOM 1398 O PRO A 99 -7.533 -4.507 9.900 1.00 0.00 O ATOM 1399 CB PRO A 99 -7.430 -6.077 12.948 1.00 0.00 C ATOM 1400 CG PRO A 99 -6.623 -4.964 13.598 1.00 0.00 C ATOM 1401 CD PRO A 99 -5.439 -4.659 12.695 1.00 0.00 C ATOM 0 HA PRO A 99 -6.865 -7.216 11.202 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -8.496 -5.852 12.973 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -7.291 -7.020 13.476 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -7.239 -4.075 13.733 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -6.280 -5.268 14.587 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -5.414 -3.605 12.417 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -4.494 -4.880 13.192 1.00 0.00 H new ATOM 1409 N PRO A 100 -9.070 -6.148 10.351 1.00 0.00 N ATOM 1410 CA PRO A 100 -10.066 -5.638 9.424 1.00 0.00 C ATOM 1411 C PRO A 100 -10.751 -4.391 9.985 1.00 0.00 C ATOM 1412 O PRO A 100 -11.034 -4.319 11.180 1.00 0.00 O ATOM 1413 CB PRO A 100 -11.026 -6.795 9.204 1.00 0.00 C ATOM 1414 CG PRO A 100 -10.802 -7.750 10.365 1.00 0.00 C ATOM 1415 CD PRO A 100 -9.506 -7.352 11.052 1.00 0.00 C ATOM 0 HA PRO A 100 -9.633 -5.311 8.479 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -12.058 -6.446 9.179 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -10.833 -7.287 8.251 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -11.636 -7.702 11.065 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -10.745 -8.778 10.008 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -9.664 -7.157 12.113 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -8.760 -8.144 10.980 1.00 0.00 H new ATOM 1423 N PRO A 101 -11.003 -3.414 9.073 1.00 0.00 N ATOM 1424 CA PRO A 101 -11.649 -2.173 9.465 1.00 0.00 C ATOM 1425 C PRO A 101 -13.146 -2.386 9.703 1.00 0.00 C ATOM 1426 O PRO A 101 -13.602 -3.520 9.836 1.00 0.00 O ATOM 1427 CB PRO A 101 -11.360 -1.204 8.331 1.00 0.00 C ATOM 1428 CG PRO A 101 -10.964 -2.061 7.140 1.00 0.00 C ATOM 1429 CD PRO A 101 -10.681 -3.465 7.650 1.00 0.00 C ATOM 0 HA PRO A 101 -11.272 -1.783 10.410 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -12.237 -0.599 8.102 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -10.559 -0.516 8.600 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -11.763 -2.078 6.399 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -10.083 -1.648 6.649 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -11.291 -4.205 7.132 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -9.639 -3.742 7.489 1.00 0.00 H new ATOM 1437 N ARG A 102 -13.868 -1.276 9.749 1.00 0.00 N ATOM 1438 CA ARG A 102 -15.304 -1.327 9.969 1.00 0.00 C ATOM 1439 C ARG A 102 -16.049 -1.183 8.640 1.00 0.00 C ATOM 1440 O ARG A 102 -17.144 -1.720 8.478 1.00 0.00 O ATOM 1441 CB ARG A 102 -15.755 -0.217 10.921 1.00 0.00 C ATOM 1442 CG ARG A 102 -16.826 -0.726 11.887 1.00 0.00 C ATOM 1443 CD ARG A 102 -18.199 -0.149 11.537 1.00 0.00 C ATOM 1444 NE ARG A 102 -19.063 -0.133 12.738 1.00 0.00 N ATOM 1445 CZ ARG A 102 -20.215 0.565 12.833 1.00 0.00 C ATOM 1446 NH1 ARG A 102 -20.651 1.312 11.796 1.00 0.00 N ATOM 1447 NH2 ARG A 102 -20.908 0.507 13.955 1.00 0.00 N ATOM 0 H ARG A 102 -13.486 -0.337 9.638 1.00 0.00 H new ATOM 0 HA ARG A 102 -15.537 -2.292 10.418 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -14.899 0.154 11.484 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -16.147 0.622 10.347 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -16.865 -1.815 11.851 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -16.561 -0.450 12.908 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -18.088 0.862 11.145 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -18.664 -0.746 10.752 1.00 0.00 H new ATOM 0 HE ARG A 102 -18.770 -0.684 13.545 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -20.109 1.352 10.933 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -21.522 1.836 11.876 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -20.571 -0.059 14.734 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -21.780 1.028 14.043 1.00 0.00 H new ATOM 1460 N PHE A 103 -15.426 -0.457 7.724 1.00 0.00 N ATOM 1461 CA PHE A 103 -16.017 -0.237 6.415 1.00 0.00 C ATOM 1462 C PHE A 103 -16.714 -1.501 5.908 1.00 0.00 C ATOM 1463 O PHE A 103 -16.452 -2.598 6.399 1.00 0.00 O ATOM 1464 CB PHE A 103 -14.873 0.117 5.462 1.00 0.00 C ATOM 1465 CG PHE A 103 -13.908 1.169 6.011 1.00 0.00 C ATOM 1466 CD1 PHE A 103 -14.348 2.431 6.261 1.00 0.00 C ATOM 1467 CD2 PHE A 103 -12.610 0.842 6.251 1.00 0.00 C ATOM 1468 CE1 PHE A 103 -13.453 3.408 6.771 1.00 0.00 C ATOM 1469 CE2 PHE A 103 -11.714 1.819 6.761 1.00 0.00 C ATOM 1470 CZ PHE A 103 -12.154 3.081 7.010 1.00 0.00 C ATOM 0 H PHE A 103 -14.518 -0.013 7.862 1.00 0.00 H new ATOM 0 HA PHE A 103 -16.761 0.558 6.472 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -14.313 -0.789 5.231 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -15.294 0.479 4.524 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -15.379 2.690 6.071 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -12.260 -0.161 6.054 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -13.803 4.410 6.969 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -10.683 1.559 6.951 1.00 0.00 H new ATOM 0 HZ PHE A 103 -11.473 3.824 7.397 1.00 0.00 H new ATOM 1480 N HIS A 104 -17.590 -1.305 4.933 1.00 0.00 N ATOM 1481 CA HIS A 104 -18.327 -2.415 4.355 1.00 0.00 C ATOM 1482 C HIS A 104 -17.360 -3.349 3.626 1.00 0.00 C ATOM 1483 O HIS A 104 -16.188 -3.020 3.449 1.00 0.00 O ATOM 1484 CB HIS A 104 -19.455 -1.908 3.454 1.00 0.00 C ATOM 1485 CG HIS A 104 -20.827 -1.994 4.079 1.00 0.00 C ATOM 1486 ND1 HIS A 104 -21.946 -2.407 3.377 1.00 0.00 N ATOM 1487 CD2 HIS A 104 -21.247 -1.717 5.346 1.00 0.00 C ATOM 1488 CE1 HIS A 104 -22.988 -2.375 4.195 1.00 0.00 C ATOM 1489 NE2 HIS A 104 -22.553 -1.946 5.415 1.00 0.00 N ATOM 0 H HIS A 104 -17.806 -0.394 4.529 1.00 0.00 H new ATOM 0 HA HIS A 104 -18.805 -2.991 5.148 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -19.254 -0.871 3.186 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -19.452 -2.483 2.528 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -20.623 -1.370 6.156 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -24.003 -2.642 3.941 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -23.135 -1.822 6.243 1.00 0.00 H new ATOM 1497 N ASP A 105 -17.886 -4.496 3.222 1.00 0.00 N ATOM 1498 CA ASP A 105 -17.084 -5.480 2.515 1.00 0.00 C ATOM 1499 C ASP A 105 -16.300 -4.787 1.399 1.00 0.00 C ATOM 1500 O ASP A 105 -15.207 -5.222 1.041 1.00 0.00 O ATOM 1501 CB ASP A 105 -17.967 -6.554 1.876 1.00 0.00 C ATOM 1502 CG ASP A 105 -17.578 -7.995 2.214 1.00 0.00 C ATOM 1503 OD1 ASP A 105 -17.018 -8.719 1.377 1.00 0.00 O ATOM 1504 OD2 ASP A 105 -17.878 -8.375 3.410 1.00 0.00 O ATOM 0 H ASP A 105 -18.858 -4.766 3.371 1.00 0.00 H new ATOM 0 HA ASP A 105 -16.412 -5.947 3.235 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -18.998 -6.389 2.189 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -17.938 -6.430 0.793 1.00 0.00 H new