USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=17 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 33 GLN : amide:sc= -3.32! C(o=-4.6!,f=-5.7!) USER MOD Set 1.2: A 36 ASN :FLIP amide:sc= -1.31 F(o=-7.5,f=-4.6) USER MOD Set 2.1: A 30 GLN : amide:sc= -0.149 K(o=-0.32,f=-2.3!) USER MOD Set 2.2: A 32 ASN :FLIP amide:sc= -0.171 F(o=-1.1,f=-0.32) USER MOD Set 3.1: A 12 TYR OH : rot 165:sc= 0 USER MOD Set 3.2: A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot -21:sc= 0.65 USER MOD Single : A 11 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.156) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc=-0.00337 X(o=-0.0034,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -154:sc= -0.0853 (180deg=-0.471) USER MOD Single : A 42 SER OG : rot 63:sc= 0.679 USER MOD Single : A 44 THR OG1 : rot 155:sc= 0.112 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 169:sc= 0 (180deg=-0.0137) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=-0.006) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 GLN :FLIP amide:sc= -0.597 F(o=-1.9,f=-0.6) USER MOD Single : A 73 GLN : amide:sc= -0.113 K(o=-0.11,f=-0.74) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl -123:sc= -2.46! (180deg=-8.04!) USER MOD Single : A 83 LYS NZ :NH3+ 178:sc= 0.986 (180deg=0.981) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -1.62 K(o=-1.6,f=-2.6!) USER MOD Single : A 93 ASN : amide:sc= -0.199 X(o=-0.2,f=-0.015) USER MOD Single : A 100 ASN : amide:sc= -0.0586 X(o=-0.059,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 145:sc= -0.388 (180deg=-1.46!) USER MOD Single : A 104 TYR OH : rot -138:sc= 0.0636 USER MOD ----------------------------------------------------------------- ATOM 87 N SER A 9 6.895 8.287 5.799 1.00 0.00 N ATOM 88 CA SER A 9 6.798 7.066 5.008 1.00 0.00 C ATOM 89 C SER A 9 7.225 5.852 5.828 1.00 0.00 C ATOM 90 O SER A 9 7.994 5.973 6.781 1.00 0.00 O ATOM 91 CB SER A 9 7.665 7.177 3.752 1.00 0.00 C ATOM 92 OG SER A 9 8.756 8.057 3.960 1.00 0.00 O ATOM 0 HA SER A 9 5.757 6.936 4.713 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.037 6.191 3.475 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.060 7.534 2.919 1.00 0.00 H new ATOM 0 HG SER A 9 8.555 8.656 4.709 1.00 0.00 H new ATOM 98 N LEU A 10 6.719 4.682 5.450 1.00 0.00 N ATOM 99 CA LEU A 10 7.047 3.446 6.149 1.00 0.00 C ATOM 100 C LEU A 10 8.074 2.634 5.365 1.00 0.00 C ATOM 101 O LEU A 10 8.061 2.621 4.134 1.00 0.00 O ATOM 102 CB LEU A 10 5.783 2.613 6.374 1.00 0.00 C ATOM 103 CG LEU A 10 5.008 2.945 7.652 1.00 0.00 C ATOM 104 CD1 LEU A 10 3.518 3.044 7.364 1.00 0.00 C ATOM 105 CD2 LEU A 10 5.277 1.902 8.726 1.00 0.00 C ATOM 0 H LEU A 10 6.080 4.565 4.663 1.00 0.00 H new ATOM 0 HA LEU A 10 7.479 3.707 7.115 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.120 2.748 5.520 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.060 1.559 6.399 1.00 0.00 H new ATOM 0 HG LEU A 10 5.351 3.912 8.019 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.984 3.281 8.285 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.341 3.830 6.630 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.159 2.093 6.971 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.718 2.155 9.627 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.964 0.921 8.368 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.343 1.881 8.954 1.00 0.00 H new ATOM 117 N LYS A 11 8.961 1.958 6.086 1.00 0.00 N ATOM 118 CA LYS A 11 9.995 1.143 5.458 1.00 0.00 C ATOM 119 C LYS A 11 10.074 -0.235 6.106 1.00 0.00 C ATOM 120 O LYS A 11 10.468 -0.365 7.265 1.00 0.00 O ATOM 121 CB LYS A 11 11.352 1.843 5.552 1.00 0.00 C ATOM 122 CG LYS A 11 11.415 3.155 4.789 1.00 0.00 C ATOM 123 CD LYS A 11 11.347 2.931 3.287 1.00 0.00 C ATOM 124 CE LYS A 11 12.725 3.008 2.650 1.00 0.00 C ATOM 125 NZ LYS A 11 12.735 2.433 1.277 1.00 0.00 N ATOM 0 H LYS A 11 8.985 1.958 7.106 1.00 0.00 H new ATOM 0 HA LYS A 11 9.732 1.014 4.408 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.582 2.031 6.601 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.124 1.174 5.171 1.00 0.00 H new ATOM 0 HG2 LYS A 11 10.591 3.797 5.100 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.338 3.678 5.038 1.00 0.00 H new ATOM 0 HD2 LYS A 11 10.905 1.956 3.083 1.00 0.00 H new ATOM 0 HD3 LYS A 11 10.694 3.678 2.836 1.00 0.00 H new ATOM 0 HE2 LYS A 11 13.049 4.048 2.610 1.00 0.00 H new ATOM 0 HE3 LYS A 11 13.443 2.474 3.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 13.717 2.270 0.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 12.218 1.531 1.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 12.277 3.096 0.620 1.00 0.00 H new ATOM 139 N TYR A 12 9.697 -1.261 5.351 1.00 0.00 N ATOM 140 CA TYR A 12 9.727 -2.630 5.851 1.00 0.00 C ATOM 141 C TYR A 12 10.328 -3.573 4.815 1.00 0.00 C ATOM 142 O TYR A 12 10.406 -3.243 3.631 1.00 0.00 O ATOM 143 CB TYR A 12 8.315 -3.092 6.219 1.00 0.00 C ATOM 144 CG TYR A 12 7.976 -2.899 7.680 1.00 0.00 C ATOM 145 CD1 TYR A 12 8.673 -3.580 8.670 1.00 0.00 C ATOM 146 CD2 TYR A 12 6.958 -2.037 8.068 1.00 0.00 C ATOM 147 CE1 TYR A 12 8.366 -3.407 10.006 1.00 0.00 C ATOM 148 CE2 TYR A 12 6.646 -1.858 9.403 1.00 0.00 C ATOM 149 CZ TYR A 12 7.353 -2.546 10.367 1.00 0.00 C ATOM 150 OH TYR A 12 7.043 -2.371 11.697 1.00 0.00 O ATOM 0 H TYR A 12 9.367 -1.170 4.390 1.00 0.00 H new ATOM 0 HA TYR A 12 10.353 -2.651 6.743 1.00 0.00 H new ATOM 0 HB2 TYR A 12 7.593 -2.545 5.612 1.00 0.00 H new ATOM 0 HB3 TYR A 12 8.210 -4.147 5.967 1.00 0.00 H new ATOM 0 HD1 TYR A 12 9.468 -4.256 8.391 1.00 0.00 H new ATOM 0 HD2 TYR A 12 6.402 -1.498 7.315 1.00 0.00 H new ATOM 0 HE1 TYR A 12 8.917 -3.944 10.764 1.00 0.00 H new ATOM 0 HE2 TYR A 12 5.853 -1.183 9.689 1.00 0.00 H new ATOM 0 HH TYR A 12 6.486 -1.572 11.801 1.00 0.00 H new ATOM 160 N THR A 13 10.754 -4.749 5.267 1.00 0.00 N ATOM 161 CA THR A 13 11.350 -5.739 4.377 1.00 0.00 C ATOM 162 C THR A 13 10.501 -7.006 4.326 1.00 0.00 C ATOM 163 O THR A 13 9.680 -7.251 5.210 1.00 0.00 O ATOM 164 CB THR A 13 12.767 -6.081 4.837 1.00 0.00 C ATOM 165 OG1 THR A 13 12.798 -6.315 6.233 1.00 0.00 O ATOM 166 CG2 THR A 13 13.774 -4.993 4.532 1.00 0.00 C ATOM 0 H THR A 13 10.697 -5.039 6.243 1.00 0.00 H new ATOM 0 HA THR A 13 11.393 -5.311 3.376 1.00 0.00 H new ATOM 0 HB THR A 13 13.043 -6.976 4.280 1.00 0.00 H new ATOM 0 HG1 THR A 13 13.713 -6.534 6.508 1.00 0.00 H new ATOM 0 HG21 THR A 13 14.759 -5.300 4.884 1.00 0.00 H new ATOM 0 HG22 THR A 13 13.811 -4.822 3.456 1.00 0.00 H new ATOM 0 HG23 THR A 13 13.479 -4.072 5.036 1.00 0.00 H new ATOM 174 N ALA A 14 10.704 -7.806 3.285 1.00 0.00 N ATOM 175 CA ALA A 14 9.957 -9.047 3.119 1.00 0.00 C ATOM 176 C ALA A 14 10.186 -9.987 4.298 1.00 0.00 C ATOM 177 O ALA A 14 9.244 -10.584 4.820 1.00 0.00 O ATOM 178 CB ALA A 14 10.349 -9.728 1.816 1.00 0.00 C ATOM 0 H ALA A 14 11.379 -7.617 2.544 1.00 0.00 H new ATOM 0 HA ALA A 14 8.896 -8.802 3.084 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.784 -10.653 1.705 1.00 0.00 H new ATOM 0 HB2 ALA A 14 10.129 -9.066 0.979 1.00 0.00 H new ATOM 0 HB3 ALA A 14 11.415 -9.954 1.830 1.00 0.00 H new ATOM 184 N ALA A 15 11.442 -10.113 4.713 1.00 0.00 N ATOM 185 CA ALA A 15 11.795 -10.979 5.831 1.00 0.00 C ATOM 186 C ALA A 15 11.045 -10.577 7.096 1.00 0.00 C ATOM 187 O ALA A 15 10.725 -11.420 7.934 1.00 0.00 O ATOM 188 CB ALA A 15 13.297 -10.942 6.073 1.00 0.00 C ATOM 0 H ALA A 15 12.233 -9.626 4.291 1.00 0.00 H new ATOM 0 HA ALA A 15 11.503 -11.997 5.575 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.547 -11.593 6.911 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.818 -11.285 5.179 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.603 -9.922 6.303 1.00 0.00 H new ATOM 194 N ARG A 16 10.766 -9.284 7.227 1.00 0.00 N ATOM 195 CA ARG A 16 10.050 -8.771 8.390 1.00 0.00 C ATOM 196 C ARG A 16 8.569 -9.126 8.318 1.00 0.00 C ATOM 197 O ARG A 16 7.999 -9.649 9.275 1.00 0.00 O ATOM 198 CB ARG A 16 10.219 -7.254 8.490 1.00 0.00 C ATOM 199 CG ARG A 16 11.533 -6.829 9.124 1.00 0.00 C ATOM 200 CD ARG A 16 11.547 -7.110 10.618 1.00 0.00 C ATOM 201 NE ARG A 16 12.905 -7.142 11.157 1.00 0.00 N ATOM 202 CZ ARG A 16 13.733 -8.175 11.019 1.00 0.00 C ATOM 203 NH1 ARG A 16 13.346 -9.262 10.363 1.00 0.00 N ATOM 204 NH2 ARG A 16 14.952 -8.121 11.539 1.00 0.00 N ATOM 0 H ARG A 16 11.024 -8.573 6.543 1.00 0.00 H new ATOM 0 HA ARG A 16 10.473 -9.236 9.280 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.151 -6.823 7.491 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.394 -6.842 9.072 1.00 0.00 H new ATOM 0 HG2 ARG A 16 12.357 -7.358 8.645 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.694 -5.765 8.951 1.00 0.00 H new ATOM 0 HD2 ARG A 16 10.969 -6.345 11.136 1.00 0.00 H new ATOM 0 HD3 ARG A 16 11.058 -8.064 10.812 1.00 0.00 H new ATOM 0 HE ARG A 16 13.238 -6.325 11.669 1.00 0.00 H new ATOM 0 HH11 ARG A 16 12.410 -9.309 9.961 1.00 0.00 H new ATOM 0 HH12 ARG A 16 13.985 -10.050 10.261 1.00 0.00 H new ATOM 0 HH21 ARG A 16 15.254 -7.288 12.044 1.00 0.00 H new ATOM 0 HH22 ARG A 16 15.587 -8.912 11.434 1.00 0.00 H new ATOM 218 N LEU A 17 7.951 -8.837 7.176 1.00 0.00 N ATOM 219 CA LEU A 17 6.536 -9.127 6.980 1.00 0.00 C ATOM 220 C LEU A 17 6.266 -10.622 7.096 1.00 0.00 C ATOM 221 O LEU A 17 5.194 -11.038 7.537 1.00 0.00 O ATOM 222 CB LEU A 17 6.075 -8.617 5.613 1.00 0.00 C ATOM 223 CG LEU A 17 5.989 -7.096 5.483 1.00 0.00 C ATOM 224 CD1 LEU A 17 5.587 -6.703 4.070 1.00 0.00 C ATOM 225 CD2 LEU A 17 5.004 -6.531 6.495 1.00 0.00 C ATOM 0 H LEU A 17 8.408 -8.403 6.374 1.00 0.00 H new ATOM 0 HA LEU A 17 5.974 -8.614 7.760 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.760 -8.993 4.853 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.094 -9.041 5.396 1.00 0.00 H new ATOM 0 HG LEU A 17 6.974 -6.676 5.689 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.531 -5.617 3.996 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.328 -7.077 3.364 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.613 -7.133 3.836 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.955 -5.447 6.389 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.017 -6.958 6.319 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.334 -6.782 7.503 1.00 0.00 H new ATOM 237 N HIS A 18 7.245 -11.429 6.697 1.00 0.00 N ATOM 238 CA HIS A 18 7.113 -12.880 6.755 1.00 0.00 C ATOM 239 C HIS A 18 6.984 -13.355 8.199 1.00 0.00 C ATOM 240 O HIS A 18 6.119 -14.170 8.521 1.00 0.00 O ATOM 241 CB HIS A 18 8.316 -13.549 6.090 1.00 0.00 C ATOM 242 CG HIS A 18 8.181 -15.035 5.966 1.00 0.00 C ATOM 243 ND1 HIS A 18 9.254 -15.898 6.048 1.00 0.00 N ATOM 244 CD2 HIS A 18 7.091 -15.813 5.765 1.00 0.00 C ATOM 245 CE1 HIS A 18 8.830 -17.141 5.903 1.00 0.00 C ATOM 246 NE2 HIS A 18 7.522 -17.116 5.729 1.00 0.00 N ATOM 0 H HIS A 18 8.139 -11.102 6.330 1.00 0.00 H new ATOM 0 HA HIS A 18 6.208 -13.161 6.217 1.00 0.00 H new ATOM 0 HB2 HIS A 18 8.457 -13.121 5.097 1.00 0.00 H new ATOM 0 HB3 HIS A 18 9.213 -13.321 6.666 1.00 0.00 H new ATOM 0 HD2 HIS A 18 6.072 -15.472 5.654 1.00 0.00 H new ATOM 0 HE1 HIS A 18 9.448 -18.026 5.923 1.00 0.00 H new ATOM 0 HE2 HIS A 18 6.927 -17.933 5.590 1.00 0.00 H new ATOM 255 N GLU A 19 7.852 -12.841 9.065 1.00 0.00 N ATOM 256 CA GLU A 19 7.836 -13.213 10.475 1.00 0.00 C ATOM 257 C GLU A 19 6.518 -12.808 11.129 1.00 0.00 C ATOM 258 O GLU A 19 5.986 -13.528 11.974 1.00 0.00 O ATOM 259 CB GLU A 19 9.006 -12.558 11.210 1.00 0.00 C ATOM 260 CG GLU A 19 10.349 -12.774 10.531 1.00 0.00 C ATOM 261 CD GLU A 19 11.399 -13.329 11.474 1.00 0.00 C ATOM 262 OE1 GLU A 19 11.345 -13.003 12.679 1.00 0.00 O ATOM 263 OE2 GLU A 19 12.274 -14.088 11.009 1.00 0.00 O ATOM 0 H GLU A 19 8.575 -12.166 8.815 1.00 0.00 H new ATOM 0 HA GLU A 19 7.936 -14.296 10.541 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.818 -11.487 11.293 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.054 -12.953 12.225 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.222 -13.458 9.692 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.700 -11.828 10.120 1.00 0.00 H new ATOM 270 N LYS A 20 5.998 -11.651 10.733 1.00 0.00 N ATOM 271 CA LYS A 20 4.743 -11.150 11.280 1.00 0.00 C ATOM 272 C LYS A 20 3.565 -11.992 10.801 1.00 0.00 C ATOM 273 O LYS A 20 2.567 -12.139 11.506 1.00 0.00 O ATOM 274 CB LYS A 20 4.536 -9.688 10.881 1.00 0.00 C ATOM 275 CG LYS A 20 5.702 -8.785 11.250 1.00 0.00 C ATOM 276 CD LYS A 20 5.670 -7.484 10.465 1.00 0.00 C ATOM 277 CE LYS A 20 4.699 -6.486 11.077 1.00 0.00 C ATOM 278 NZ LYS A 20 5.333 -5.157 11.296 1.00 0.00 N ATOM 0 H LYS A 20 6.426 -11.043 10.035 1.00 0.00 H new ATOM 0 HA LYS A 20 4.797 -11.219 12.367 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.372 -9.634 9.805 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.632 -9.314 11.361 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.671 -8.568 12.318 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.641 -9.304 11.057 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.670 -7.050 10.437 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.382 -7.687 9.434 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.835 -6.372 10.423 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.331 -6.874 12.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.638 -4.506 11.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.142 -5.261 11.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.662 -4.775 10.386 1.00 0.00 H new ATOM 292 N GLY A 21 3.687 -12.542 9.597 1.00 0.00 N ATOM 293 CA GLY A 21 2.624 -13.361 9.045 1.00 0.00 C ATOM 294 C GLY A 21 1.973 -12.733 7.827 1.00 0.00 C ATOM 295 O GLY A 21 1.308 -13.419 7.050 1.00 0.00 O ATOM 0 H GLY A 21 4.503 -12.435 8.994 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.026 -14.337 8.774 1.00 0.00 H new ATOM 0 HA3 GLY A 21 1.866 -13.530 9.810 1.00 0.00 H new ATOM 299 N VAL A 22 2.160 -11.427 7.659 1.00 0.00 N ATOM 300 CA VAL A 22 1.583 -10.709 6.527 1.00 0.00 C ATOM 301 C VAL A 22 1.972 -11.361 5.204 1.00 0.00 C ATOM 302 O VAL A 22 1.125 -11.912 4.501 1.00 0.00 O ATOM 303 CB VAL A 22 2.029 -9.234 6.510 1.00 0.00 C ATOM 304 CG1 VAL A 22 1.262 -8.457 5.452 1.00 0.00 C ATOM 305 CG2 VAL A 22 1.845 -8.605 7.882 1.00 0.00 C ATOM 0 H VAL A 22 2.707 -10.844 8.293 1.00 0.00 H new ATOM 0 HA VAL A 22 0.500 -10.752 6.645 1.00 0.00 H new ATOM 0 HB VAL A 22 3.089 -9.196 6.258 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.590 -7.418 5.455 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.450 -8.894 4.472 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.195 -8.501 5.670 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.165 -7.564 7.851 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.794 -8.653 8.166 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.444 -9.147 8.614 1.00 0.00 H new ATOM 315 N LEU A 23 3.256 -11.294 4.871 1.00 0.00 N ATOM 316 CA LEU A 23 3.755 -11.879 3.631 1.00 0.00 C ATOM 317 C LEU A 23 3.826 -13.399 3.737 1.00 0.00 C ATOM 318 O LEU A 23 4.305 -13.939 4.733 1.00 0.00 O ATOM 319 CB LEU A 23 5.137 -11.314 3.296 1.00 0.00 C ATOM 320 CG LEU A 23 5.637 -11.620 1.883 1.00 0.00 C ATOM 321 CD1 LEU A 23 4.760 -10.934 0.847 1.00 0.00 C ATOM 322 CD2 LEU A 23 7.088 -11.190 1.727 1.00 0.00 C ATOM 0 H LEU A 23 3.970 -10.841 5.441 1.00 0.00 H new ATOM 0 HA LEU A 23 3.061 -11.621 2.831 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.113 -10.233 3.430 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.857 -11.708 4.013 1.00 0.00 H new ATOM 0 HG LEU A 23 5.579 -12.696 1.722 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.131 -11.163 -0.152 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.735 -11.291 0.944 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.785 -9.856 1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.427 -11.415 0.716 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.171 -10.118 1.908 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.706 -11.728 2.446 1.00 0.00 H new ATOM 334 N LEU A 24 3.345 -14.081 2.703 1.00 0.00 N ATOM 335 CA LEU A 24 3.354 -15.540 2.682 1.00 0.00 C ATOM 336 C LEU A 24 4.612 -16.068 2.001 1.00 0.00 C ATOM 337 O LEU A 24 5.490 -16.635 2.652 1.00 0.00 O ATOM 338 CB LEU A 24 2.110 -16.067 1.963 1.00 0.00 C ATOM 339 CG LEU A 24 0.777 -15.578 2.532 1.00 0.00 C ATOM 340 CD1 LEU A 24 -0.344 -15.797 1.530 1.00 0.00 C ATOM 341 CD2 LEU A 24 0.469 -16.283 3.844 1.00 0.00 C ATOM 0 H LEU A 24 2.945 -13.649 1.870 1.00 0.00 H new ATOM 0 HA LEU A 24 3.347 -15.894 3.713 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.167 -15.779 0.913 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.124 -17.156 1.996 1.00 0.00 H new ATOM 0 HG LEU A 24 0.856 -14.508 2.727 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.284 -15.443 1.953 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.127 -15.246 0.615 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.426 -16.860 1.302 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.483 -15.924 4.235 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.409 -17.358 3.674 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.260 -16.073 4.564 1.00 0.00 H new ATOM 353 N GLU A 25 4.694 -15.881 0.688 1.00 0.00 N ATOM 354 CA GLU A 25 5.846 -16.341 -0.079 1.00 0.00 C ATOM 355 C GLU A 25 5.944 -15.605 -1.411 1.00 0.00 C ATOM 356 O GLU A 25 5.116 -14.749 -1.721 1.00 0.00 O ATOM 357 CB GLU A 25 5.755 -17.849 -0.321 1.00 0.00 C ATOM 358 CG GLU A 25 6.405 -18.681 0.772 1.00 0.00 C ATOM 359 CD GLU A 25 6.891 -20.026 0.270 1.00 0.00 C ATOM 360 OE1 GLU A 25 6.308 -20.542 -0.706 1.00 0.00 O ATOM 361 OE2 GLU A 25 7.857 -20.564 0.852 1.00 0.00 O ATOM 0 H GLU A 25 3.977 -15.414 0.133 1.00 0.00 H new ATOM 0 HA GLU A 25 6.744 -16.126 0.500 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.706 -18.132 -0.406 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.227 -18.085 -1.275 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.246 -18.129 1.192 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.690 -18.836 1.580 1.00 0.00 H new ATOM 368 N ILE A 26 6.962 -15.947 -2.196 1.00 0.00 N ATOM 369 CA ILE A 26 7.168 -15.320 -3.497 1.00 0.00 C ATOM 370 C ILE A 26 7.282 -16.368 -4.598 1.00 0.00 C ATOM 371 O ILE A 26 7.876 -17.428 -4.401 1.00 0.00 O ATOM 372 CB ILE A 26 8.437 -14.444 -3.505 1.00 0.00 C ATOM 373 CG1 ILE A 26 8.476 -13.551 -2.263 1.00 0.00 C ATOM 374 CG2 ILE A 26 8.492 -13.603 -4.771 1.00 0.00 C ATOM 375 CD1 ILE A 26 9.758 -12.757 -2.130 1.00 0.00 C ATOM 0 H ILE A 26 7.656 -16.654 -1.954 1.00 0.00 H new ATOM 0 HA ILE A 26 6.299 -14.689 -3.686 1.00 0.00 H new ATOM 0 HB ILE A 26 9.310 -15.096 -3.487 1.00 0.00 H new ATOM 0 HG12 ILE A 26 7.632 -12.861 -2.295 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.348 -14.171 -1.375 1.00 0.00 H new ATOM 0 HG21 ILE A 26 9.393 -12.990 -4.762 1.00 0.00 H new ATOM 0 HG22 ILE A 26 8.507 -14.258 -5.642 1.00 0.00 H new ATOM 0 HG23 ILE A 26 7.615 -12.958 -4.817 1.00 0.00 H new ATOM 0 HD11 ILE A 26 9.716 -12.147 -1.228 1.00 0.00 H new ATOM 0 HD12 ILE A 26 10.605 -13.441 -2.067 1.00 0.00 H new ATOM 0 HD13 ILE A 26 9.878 -12.111 -3.000 1.00 0.00 H new ATOM 387 N GLU A 27 6.707 -16.067 -5.757 1.00 0.00 N ATOM 388 CA GLU A 27 6.743 -16.985 -6.891 1.00 0.00 C ATOM 389 C GLU A 27 7.958 -16.713 -7.774 1.00 0.00 C ATOM 390 O GLU A 27 7.834 -16.563 -8.989 1.00 0.00 O ATOM 391 CB GLU A 27 5.458 -16.861 -7.713 1.00 0.00 C ATOM 392 CG GLU A 27 4.333 -17.758 -7.224 1.00 0.00 C ATOM 393 CD GLU A 27 3.088 -17.653 -8.084 1.00 0.00 C ATOM 394 OE1 GLU A 27 2.534 -16.539 -8.191 1.00 0.00 O ATOM 395 OE2 GLU A 27 2.669 -18.686 -8.649 1.00 0.00 O ATOM 0 H GLU A 27 6.210 -15.194 -5.937 1.00 0.00 H new ATOM 0 HA GLU A 27 6.821 -18.001 -6.504 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.121 -15.825 -7.690 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.677 -17.102 -8.753 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.677 -18.792 -7.213 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.084 -17.494 -6.196 1.00 0.00 H new ATOM 402 N ASP A 28 9.132 -16.654 -7.155 1.00 0.00 N ATOM 403 CA ASP A 28 10.370 -16.402 -7.885 1.00 0.00 C ATOM 404 C ASP A 28 11.572 -16.436 -6.947 1.00 0.00 C ATOM 405 O ASP A 28 12.593 -17.052 -7.253 1.00 0.00 O ATOM 406 CB ASP A 28 10.303 -15.052 -8.602 1.00 0.00 C ATOM 407 CG ASP A 28 9.735 -13.955 -7.723 1.00 0.00 C ATOM 408 OD1 ASP A 28 8.493 -13.837 -7.648 1.00 0.00 O ATOM 409 OD2 ASP A 28 10.530 -13.213 -7.109 1.00 0.00 O ATOM 0 H ASP A 28 9.253 -16.777 -6.150 1.00 0.00 H new ATOM 0 HA ASP A 28 10.489 -17.191 -8.627 1.00 0.00 H new ATOM 0 HB2 ASP A 28 11.303 -14.769 -8.930 1.00 0.00 H new ATOM 0 HB3 ASP A 28 9.689 -15.150 -9.497 1.00 0.00 H new ATOM 414 N LEU A 29 11.445 -15.769 -5.804 1.00 0.00 N ATOM 415 CA LEU A 29 12.522 -15.723 -4.823 1.00 0.00 C ATOM 416 C LEU A 29 12.299 -16.754 -3.721 1.00 0.00 C ATOM 417 O LEU A 29 11.215 -17.326 -3.602 1.00 0.00 O ATOM 418 CB LEU A 29 12.629 -14.324 -4.213 1.00 0.00 C ATOM 419 CG LEU A 29 13.109 -13.233 -5.173 1.00 0.00 C ATOM 420 CD1 LEU A 29 12.934 -11.859 -4.547 1.00 0.00 C ATOM 421 CD2 LEU A 29 14.563 -13.464 -5.557 1.00 0.00 C ATOM 0 H LEU A 29 10.607 -15.253 -5.535 1.00 0.00 H new ATOM 0 HA LEU A 29 13.454 -15.960 -5.335 1.00 0.00 H new ATOM 0 HB2 LEU A 29 11.652 -14.039 -3.823 1.00 0.00 H new ATOM 0 HB3 LEU A 29 13.312 -14.366 -3.364 1.00 0.00 H new ATOM 0 HG LEU A 29 12.503 -13.278 -6.078 1.00 0.00 H new ATOM 0 HD11 LEU A 29 13.280 -11.095 -5.243 1.00 0.00 H new ATOM 0 HD12 LEU A 29 11.881 -11.693 -4.321 1.00 0.00 H new ATOM 0 HD13 LEU A 29 13.515 -11.802 -3.627 1.00 0.00 H new ATOM 0 HD21 LEU A 29 14.888 -12.679 -6.240 1.00 0.00 H new ATOM 0 HD22 LEU A 29 15.183 -13.445 -4.661 1.00 0.00 H new ATOM 0 HD23 LEU A 29 14.661 -14.433 -6.046 1.00 0.00 H new ATOM 433 N GLN A 30 13.331 -16.985 -2.916 1.00 0.00 N ATOM 434 CA GLN A 30 13.248 -17.947 -1.822 1.00 0.00 C ATOM 435 C GLN A 30 12.982 -17.240 -0.497 1.00 0.00 C ATOM 436 O GLN A 30 12.789 -16.025 -0.459 1.00 0.00 O ATOM 437 CB GLN A 30 14.542 -18.759 -1.731 1.00 0.00 C ATOM 438 CG GLN A 30 14.503 -20.054 -2.526 1.00 0.00 C ATOM 439 CD GLN A 30 15.848 -20.407 -3.130 1.00 0.00 C ATOM 440 OE1 GLN A 30 16.870 -19.810 -2.792 1.00 0.00 O ATOM 441 NE2 GLN A 30 15.855 -21.385 -4.029 1.00 0.00 N ATOM 0 H GLN A 30 14.235 -16.519 -3.000 1.00 0.00 H new ATOM 0 HA GLN A 30 12.417 -18.623 -2.026 1.00 0.00 H new ATOM 0 HB2 GLN A 30 15.371 -18.148 -2.088 1.00 0.00 H new ATOM 0 HB3 GLN A 30 14.744 -18.990 -0.685 1.00 0.00 H new ATOM 0 HG2 GLN A 30 14.176 -20.866 -1.876 1.00 0.00 H new ATOM 0 HG3 GLN A 30 13.763 -19.966 -3.322 1.00 0.00 H new ATOM 0 HE21 GLN A 30 14.984 -21.853 -4.280 1.00 0.00 H new ATOM 0 HE22 GLN A 30 16.731 -21.668 -4.468 1.00 0.00 H new ATOM 450 N VAL A 31 12.972 -18.008 0.587 1.00 0.00 N ATOM 451 CA VAL A 31 12.729 -17.454 1.914 1.00 0.00 C ATOM 452 C VAL A 31 13.941 -16.676 2.416 1.00 0.00 C ATOM 453 O VAL A 31 13.802 -15.695 3.145 1.00 0.00 O ATOM 454 CB VAL A 31 12.384 -18.559 2.931 1.00 0.00 C ATOM 455 CG1 VAL A 31 11.969 -17.952 4.262 1.00 0.00 C ATOM 456 CG2 VAL A 31 11.291 -19.465 2.385 1.00 0.00 C ATOM 0 H VAL A 31 13.129 -19.016 0.573 1.00 0.00 H new ATOM 0 HA VAL A 31 11.879 -16.778 1.823 1.00 0.00 H new ATOM 0 HB VAL A 31 13.275 -19.164 3.098 1.00 0.00 H new ATOM 0 HG11 VAL A 31 11.729 -18.749 4.966 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.787 -17.351 4.659 1.00 0.00 H new ATOM 0 HG13 VAL A 31 11.092 -17.321 4.116 1.00 0.00 H new ATOM 0 HG21 VAL A 31 11.061 -20.239 3.117 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.396 -18.876 2.186 1.00 0.00 H new ATOM 0 HG23 VAL A 31 11.632 -19.930 1.460 1.00 0.00 H new ATOM 466 N ASN A 32 15.128 -17.122 2.019 1.00 0.00 N ATOM 467 CA ASN A 32 16.366 -16.467 2.429 1.00 0.00 C ATOM 468 C ASN A 32 16.598 -15.186 1.633 1.00 0.00 C ATOM 469 O ASN A 32 17.293 -14.278 2.090 1.00 0.00 O ATOM 470 CB ASN A 32 17.553 -17.415 2.247 1.00 0.00 C ATOM 471 CG ASN A 32 17.661 -17.940 0.829 1.00 0.00 C ATOM 472 OD1 ASN A 32 18.162 -17.106 -0.075 1.00 0.00 O flip ATOM 473 ND2 ASN A 32 17.300 -19.083 0.548 1.00 0.00 N flip ATOM 0 H ASN A 32 15.260 -17.933 1.415 1.00 0.00 H new ATOM 0 HA ASN A 32 16.275 -16.205 3.483 1.00 0.00 H new ATOM 0 HB2 ASN A 32 18.474 -16.894 2.510 1.00 0.00 H new ATOM 0 HB3 ASN A 32 17.453 -18.254 2.936 1.00 0.00 H new ATOM 0 HD21 ASN A 32 16.921 -19.691 1.274 1.00 0.00 H new ATOM 0 HD22 ASN A 32 17.380 -19.422 -0.411 1.00 0.00 H new ATOM 480 N GLN A 33 16.014 -15.117 0.440 1.00 0.00 N ATOM 481 CA GLN A 33 16.158 -13.945 -0.416 1.00 0.00 C ATOM 482 C GLN A 33 15.353 -12.766 0.124 1.00 0.00 C ATOM 483 O GLN A 33 15.600 -11.617 -0.240 1.00 0.00 O ATOM 484 CB GLN A 33 15.710 -14.273 -1.842 1.00 0.00 C ATOM 485 CG GLN A 33 16.548 -15.351 -2.509 1.00 0.00 C ATOM 486 CD GLN A 33 16.731 -15.112 -3.995 1.00 0.00 C ATOM 487 OE1 GLN A 33 17.176 -14.043 -4.413 1.00 0.00 O ATOM 488 NE2 GLN A 33 16.388 -16.109 -4.801 1.00 0.00 N ATOM 0 H GLN A 33 15.437 -15.859 0.045 1.00 0.00 H new ATOM 0 HA GLN A 33 17.211 -13.664 -0.426 1.00 0.00 H new ATOM 0 HB2 GLN A 33 14.669 -14.594 -1.822 1.00 0.00 H new ATOM 0 HB3 GLN A 33 15.752 -13.366 -2.445 1.00 0.00 H new ATOM 0 HG2 GLN A 33 17.526 -15.395 -2.029 1.00 0.00 H new ATOM 0 HG3 GLN A 33 16.074 -16.321 -2.356 1.00 0.00 H new ATOM 0 HE21 GLN A 33 16.023 -16.978 -4.411 1.00 0.00 H new ATOM 0 HE22 GLN A 33 16.489 -16.006 -5.811 1.00 0.00 H new ATOM 497 N PHE A 34 14.388 -13.055 0.994 1.00 0.00 N ATOM 498 CA PHE A 34 13.548 -12.017 1.582 1.00 0.00 C ATOM 499 C PHE A 34 14.396 -10.902 2.190 1.00 0.00 C ATOM 500 O PHE A 34 13.964 -9.751 2.266 1.00 0.00 O ATOM 501 CB PHE A 34 12.636 -12.619 2.653 1.00 0.00 C ATOM 502 CG PHE A 34 11.342 -13.158 2.110 1.00 0.00 C ATOM 503 CD1 PHE A 34 11.314 -13.860 0.915 1.00 0.00 C ATOM 504 CD2 PHE A 34 10.154 -12.961 2.795 1.00 0.00 C ATOM 505 CE1 PHE A 34 10.125 -14.356 0.415 1.00 0.00 C ATOM 506 CE2 PHE A 34 8.962 -13.456 2.300 1.00 0.00 C ATOM 507 CZ PHE A 34 8.948 -14.154 1.108 1.00 0.00 C ATOM 0 H PHE A 34 14.169 -14.001 1.307 1.00 0.00 H new ATOM 0 HA PHE A 34 12.937 -11.589 0.788 1.00 0.00 H new ATOM 0 HB2 PHE A 34 13.169 -13.422 3.162 1.00 0.00 H new ATOM 0 HB3 PHE A 34 12.417 -11.857 3.401 1.00 0.00 H new ATOM 0 HD1 PHE A 34 12.232 -14.021 0.369 1.00 0.00 H new ATOM 0 HD2 PHE A 34 10.159 -12.414 3.726 1.00 0.00 H new ATOM 0 HE1 PHE A 34 10.116 -14.901 -0.517 1.00 0.00 H new ATOM 0 HE2 PHE A 34 8.043 -13.297 2.844 1.00 0.00 H new ATOM 0 HZ PHE A 34 8.018 -14.541 0.719 1.00 0.00 H new ATOM 517 N LYS A 35 15.605 -11.250 2.621 1.00 0.00 N ATOM 518 CA LYS A 35 16.511 -10.278 3.222 1.00 0.00 C ATOM 519 C LYS A 35 16.875 -9.184 2.223 1.00 0.00 C ATOM 520 O LYS A 35 17.115 -8.038 2.604 1.00 0.00 O ATOM 521 CB LYS A 35 17.779 -10.972 3.721 1.00 0.00 C ATOM 522 CG LYS A 35 17.593 -11.701 5.041 1.00 0.00 C ATOM 523 CD LYS A 35 18.841 -12.478 5.429 1.00 0.00 C ATOM 524 CE LYS A 35 18.744 -13.934 5.003 1.00 0.00 C ATOM 525 NZ LYS A 35 17.678 -14.661 5.747 1.00 0.00 N ATOM 0 H LYS A 35 15.979 -12.197 2.565 1.00 0.00 H new ATOM 0 HA LYS A 35 16.001 -9.817 4.068 1.00 0.00 H new ATOM 0 HB2 LYS A 35 18.115 -11.683 2.967 1.00 0.00 H new ATOM 0 HB3 LYS A 35 18.569 -10.230 3.833 1.00 0.00 H new ATOM 0 HG2 LYS A 35 17.353 -10.982 5.824 1.00 0.00 H new ATOM 0 HG3 LYS A 35 16.747 -12.384 4.965 1.00 0.00 H new ATOM 0 HD2 LYS A 35 19.715 -12.020 4.966 1.00 0.00 H new ATOM 0 HD3 LYS A 35 18.985 -12.422 6.508 1.00 0.00 H new ATOM 0 HE2 LYS A 35 18.540 -13.986 3.933 1.00 0.00 H new ATOM 0 HE3 LYS A 35 19.703 -14.426 5.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 17.908 -15.675 5.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.615 -14.288 6.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 16.766 -14.528 5.265 1.00 0.00 H new ATOM 539 N ASN A 36 16.914 -9.543 0.944 1.00 0.00 N ATOM 540 CA ASN A 36 17.250 -8.591 -0.108 1.00 0.00 C ATOM 541 C ASN A 36 15.988 -8.037 -0.763 1.00 0.00 C ATOM 542 O ASN A 36 15.944 -7.833 -1.976 1.00 0.00 O ATOM 543 CB ASN A 36 18.138 -9.253 -1.162 1.00 0.00 C ATOM 544 CG ASN A 36 17.449 -10.410 -1.858 1.00 0.00 C ATOM 545 OD1 ASN A 36 17.886 -11.627 -1.558 1.00 0.00 O flip ATOM 546 ND2 ASN A 36 16.534 -10.211 -2.658 1.00 0.00 N flip ATOM 0 H ASN A 36 16.717 -10.487 0.611 1.00 0.00 H new ATOM 0 HA ASN A 36 17.795 -7.764 0.346 1.00 0.00 H new ATOM 0 HB2 ASN A 36 18.432 -8.510 -1.904 1.00 0.00 H new ATOM 0 HB3 ASN A 36 19.053 -9.610 -0.689 1.00 0.00 H new ATOM 0 HD21 ASN A 36 16.230 -9.258 -2.859 1.00 0.00 H new ATOM 0 HD22 ASN A 36 16.080 -10.999 -3.120 1.00 0.00 H new ATOM 553 N VAL A 37 14.964 -7.795 0.049 1.00 0.00 N ATOM 554 CA VAL A 37 13.701 -7.264 -0.452 1.00 0.00 C ATOM 555 C VAL A 37 13.124 -6.225 0.505 1.00 0.00 C ATOM 556 O VAL A 37 12.929 -6.498 1.689 1.00 0.00 O ATOM 557 CB VAL A 37 12.664 -8.383 -0.660 1.00 0.00 C ATOM 558 CG1 VAL A 37 11.429 -7.843 -1.365 1.00 0.00 C ATOM 559 CG2 VAL A 37 13.272 -9.537 -1.442 1.00 0.00 C ATOM 0 H VAL A 37 14.984 -7.958 1.056 1.00 0.00 H new ATOM 0 HA VAL A 37 13.914 -6.793 -1.412 1.00 0.00 H new ATOM 0 HB VAL A 37 12.361 -8.758 0.318 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.708 -8.648 -1.503 1.00 0.00 H new ATOM 0 HG12 VAL A 37 10.981 -7.054 -0.761 1.00 0.00 H new ATOM 0 HG13 VAL A 37 11.712 -7.439 -2.337 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.524 -10.318 -1.579 1.00 0.00 H new ATOM 0 HG22 VAL A 37 13.606 -9.180 -2.416 1.00 0.00 H new ATOM 0 HG23 VAL A 37 14.122 -9.941 -0.892 1.00 0.00 H new ATOM 569 N ILE A 38 12.855 -5.033 -0.017 1.00 0.00 N ATOM 570 CA ILE A 38 12.301 -3.953 0.791 1.00 0.00 C ATOM 571 C ILE A 38 11.023 -3.400 0.166 1.00 0.00 C ATOM 572 O ILE A 38 10.928 -3.258 -1.053 1.00 0.00 O ATOM 573 CB ILE A 38 13.318 -2.806 0.967 1.00 0.00 C ATOM 574 CG1 ILE A 38 12.754 -1.730 1.898 1.00 0.00 C ATOM 575 CG2 ILE A 38 13.691 -2.208 -0.384 1.00 0.00 C ATOM 576 CD1 ILE A 38 13.820 -0.955 2.642 1.00 0.00 C ATOM 0 H ILE A 38 13.012 -4.791 -0.995 1.00 0.00 H new ATOM 0 HA ILE A 38 12.069 -4.373 1.769 1.00 0.00 H new ATOM 0 HB ILE A 38 14.222 -3.213 1.420 1.00 0.00 H new ATOM 0 HG12 ILE A 38 12.152 -1.034 1.313 1.00 0.00 H new ATOM 0 HG13 ILE A 38 12.087 -2.200 2.621 1.00 0.00 H new ATOM 0 HG21 ILE A 38 14.409 -1.401 -0.239 1.00 0.00 H new ATOM 0 HG22 ILE A 38 14.135 -2.979 -1.013 1.00 0.00 H new ATOM 0 HG23 ILE A 38 12.797 -1.815 -0.868 1.00 0.00 H new ATOM 0 HD11 ILE A 38 13.348 -0.210 3.282 1.00 0.00 H new ATOM 0 HD12 ILE A 38 14.407 -1.640 3.254 1.00 0.00 H new ATOM 0 HD13 ILE A 38 14.474 -0.456 1.926 1.00 0.00 H new ATOM 588 N PHE A 39 10.045 -3.090 1.010 1.00 0.00 N ATOM 589 CA PHE A 39 8.772 -2.552 0.541 1.00 0.00 C ATOM 590 C PHE A 39 8.551 -1.140 1.077 1.00 0.00 C ATOM 591 O PHE A 39 8.518 -0.922 2.288 1.00 0.00 O ATOM 592 CB PHE A 39 7.620 -3.460 0.974 1.00 0.00 C ATOM 593 CG PHE A 39 7.574 -4.766 0.232 1.00 0.00 C ATOM 594 CD1 PHE A 39 7.119 -4.819 -1.075 1.00 0.00 C ATOM 595 CD2 PHE A 39 7.985 -5.940 0.844 1.00 0.00 C ATOM 596 CE1 PHE A 39 7.074 -6.019 -1.760 1.00 0.00 C ATOM 597 CE2 PHE A 39 7.944 -7.143 0.163 1.00 0.00 C ATOM 598 CZ PHE A 39 7.488 -7.182 -1.139 1.00 0.00 C ATOM 0 H PHE A 39 10.109 -3.202 2.022 1.00 0.00 H new ATOM 0 HA PHE A 39 8.801 -2.510 -0.548 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.708 -3.661 2.042 1.00 0.00 H new ATOM 0 HB3 PHE A 39 6.677 -2.933 0.825 1.00 0.00 H new ATOM 0 HD1 PHE A 39 6.796 -3.912 -1.565 1.00 0.00 H new ATOM 0 HD2 PHE A 39 8.341 -5.915 1.863 1.00 0.00 H new ATOM 0 HE1 PHE A 39 6.716 -6.047 -2.779 1.00 0.00 H new ATOM 0 HE2 PHE A 39 8.268 -8.051 0.650 1.00 0.00 H new ATOM 0 HZ PHE A 39 7.455 -8.121 -1.672 1.00 0.00 H new ATOM 608 N GLU A 40 8.400 -0.184 0.165 1.00 0.00 N ATOM 609 CA GLU A 40 8.183 1.206 0.545 1.00 0.00 C ATOM 610 C GLU A 40 6.732 1.616 0.312 1.00 0.00 C ATOM 611 O GLU A 40 6.228 1.539 -0.808 1.00 0.00 O ATOM 612 CB GLU A 40 9.118 2.124 -0.244 1.00 0.00 C ATOM 613 CG GLU A 40 9.211 3.532 0.321 1.00 0.00 C ATOM 614 CD GLU A 40 8.457 4.549 -0.513 1.00 0.00 C ATOM 615 OE1 GLU A 40 7.209 4.500 -0.524 1.00 0.00 O ATOM 616 OE2 GLU A 40 9.115 5.393 -1.158 1.00 0.00 O ATOM 0 H GLU A 40 8.424 -0.347 -0.842 1.00 0.00 H new ATOM 0 HA GLU A 40 8.401 1.303 1.608 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.115 1.683 -0.263 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.773 2.178 -1.277 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.817 3.538 1.337 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.259 3.825 0.384 1.00 0.00 H new ATOM 623 N ILE A 41 6.067 2.051 1.377 1.00 0.00 N ATOM 624 CA ILE A 41 4.676 2.474 1.291 1.00 0.00 C ATOM 625 C ILE A 41 4.533 3.957 1.611 1.00 0.00 C ATOM 626 O ILE A 41 4.793 4.388 2.735 1.00 0.00 O ATOM 627 CB ILE A 41 3.780 1.662 2.246 1.00 0.00 C ATOM 628 CG1 ILE A 41 4.016 0.163 2.059 1.00 0.00 C ATOM 629 CG2 ILE A 41 2.314 2.004 2.018 1.00 0.00 C ATOM 630 CD1 ILE A 41 4.027 -0.616 3.357 1.00 0.00 C ATOM 0 H ILE A 41 6.471 2.120 2.311 1.00 0.00 H new ATOM 0 HA ILE A 41 4.353 2.294 0.266 1.00 0.00 H new ATOM 0 HB ILE A 41 4.041 1.925 3.271 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.239 -0.240 1.410 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.967 0.015 1.548 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.694 1.422 2.700 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.156 3.067 2.201 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.041 1.768 0.989 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.199 -1.671 3.146 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.822 -0.240 4.000 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.067 -0.499 3.860 1.00 0.00 H new ATOM 642 N SER A 42 4.116 4.736 0.617 1.00 0.00 N ATOM 643 CA SER A 42 3.939 6.172 0.794 1.00 0.00 C ATOM 644 C SER A 42 2.475 6.510 1.076 1.00 0.00 C ATOM 645 O SER A 42 1.609 6.299 0.227 1.00 0.00 O ATOM 646 CB SER A 42 4.415 6.921 -0.453 1.00 0.00 C ATOM 647 OG SER A 42 5.823 7.080 -0.447 1.00 0.00 O ATOM 0 H SER A 42 3.895 4.396 -0.319 1.00 0.00 H new ATOM 0 HA SER A 42 4.537 6.485 1.650 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.111 6.375 -1.346 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.936 7.899 -0.498 1.00 0.00 H new ATOM 0 HG SER A 42 6.252 6.199 -0.472 1.00 0.00 H new ATOM 653 N PRO A 43 2.174 7.043 2.275 1.00 0.00 N ATOM 654 CA PRO A 43 0.803 7.405 2.653 1.00 0.00 C ATOM 655 C PRO A 43 0.146 8.326 1.631 1.00 0.00 C ATOM 656 O PRO A 43 0.813 8.868 0.750 1.00 0.00 O ATOM 657 CB PRO A 43 0.979 8.130 3.990 1.00 0.00 C ATOM 658 CG PRO A 43 2.260 7.608 4.541 1.00 0.00 C ATOM 659 CD PRO A 43 3.139 7.333 3.354 1.00 0.00 C ATOM 0 HA PRO A 43 0.153 6.532 2.710 1.00 0.00 H new ATOM 0 HB2 PRO A 43 1.019 9.210 3.852 1.00 0.00 H new ATOM 0 HB3 PRO A 43 0.146 7.926 4.663 1.00 0.00 H new ATOM 0 HG2 PRO A 43 2.722 8.335 5.209 1.00 0.00 H new ATOM 0 HG3 PRO A 43 2.094 6.701 5.122 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.767 8.190 3.112 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.806 6.490 3.534 1.00 0.00 H new ATOM 667 N THR A 44 -1.166 8.498 1.754 1.00 0.00 N ATOM 668 CA THR A 44 -1.915 9.354 0.841 1.00 0.00 C ATOM 669 C THR A 44 -2.822 10.308 1.611 1.00 0.00 C ATOM 670 O THR A 44 -3.270 10.000 2.715 1.00 0.00 O ATOM 671 CB THR A 44 -2.745 8.502 -0.121 1.00 0.00 C ATOM 672 OG1 THR A 44 -3.026 7.235 0.446 1.00 0.00 O ATOM 673 CG2 THR A 44 -2.066 8.268 -1.453 1.00 0.00 C ATOM 0 H THR A 44 -1.733 8.056 2.477 1.00 0.00 H new ATOM 0 HA THR A 44 -1.202 9.946 0.267 1.00 0.00 H new ATOM 0 HB THR A 44 -3.659 9.070 -0.293 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.847 6.874 0.050 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.709 7.657 -2.087 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.881 9.225 -1.940 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.119 7.753 -1.293 1.00 0.00 H new ATOM 681 N GLU A 45 -3.091 11.468 1.019 1.00 0.00 N ATOM 682 CA GLU A 45 -3.945 12.468 1.649 1.00 0.00 C ATOM 683 C GLU A 45 -5.343 11.909 1.899 1.00 0.00 C ATOM 684 O GLU A 45 -5.955 12.183 2.931 1.00 0.00 O ATOM 685 CB GLU A 45 -4.033 13.719 0.773 1.00 0.00 C ATOM 686 CG GLU A 45 -4.243 15.001 1.563 1.00 0.00 C ATOM 687 CD GLU A 45 -4.646 16.168 0.684 1.00 0.00 C ATOM 688 OE1 GLU A 45 -5.723 16.093 0.054 1.00 0.00 O ATOM 689 OE2 GLU A 45 -3.887 17.157 0.624 1.00 0.00 O ATOM 0 H GLU A 45 -2.730 11.738 0.104 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.502 12.735 2.609 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.117 13.808 0.188 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.853 13.600 0.065 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.012 14.837 2.317 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.324 15.251 2.094 1.00 0.00 H new ATOM 696 N GLU A 46 -5.839 11.124 0.949 1.00 0.00 N ATOM 697 CA GLU A 46 -7.165 10.526 1.067 1.00 0.00 C ATOM 698 C GLU A 46 -7.119 9.270 1.929 1.00 0.00 C ATOM 699 O GLU A 46 -6.054 8.693 2.150 1.00 0.00 O ATOM 700 CB GLU A 46 -7.719 10.188 -0.318 1.00 0.00 C ATOM 701 CG GLU A 46 -9.220 10.399 -0.441 1.00 0.00 C ATOM 702 CD GLU A 46 -9.730 10.158 -1.847 1.00 0.00 C ATOM 703 OE1 GLU A 46 -9.783 8.983 -2.266 1.00 0.00 O ATOM 704 OE2 GLU A 46 -10.075 11.145 -2.532 1.00 0.00 O ATOM 0 H GLU A 46 -5.344 10.887 0.089 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.823 11.251 1.547 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.212 10.802 -1.063 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.486 9.149 -0.550 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.735 9.729 0.248 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.466 11.417 -0.139 1.00 0.00 H new ATOM 711 N VAL A 47 -8.284 8.851 2.417 1.00 0.00 N ATOM 712 CA VAL A 47 -8.377 7.662 3.255 1.00 0.00 C ATOM 713 C VAL A 47 -8.885 6.466 2.456 1.00 0.00 C ATOM 714 O VAL A 47 -9.767 6.602 1.609 1.00 0.00 O ATOM 715 CB VAL A 47 -9.307 7.898 4.462 1.00 0.00 C ATOM 716 CG1 VAL A 47 -10.720 8.227 3.998 1.00 0.00 C ATOM 717 CG2 VAL A 47 -9.305 6.689 5.386 1.00 0.00 C ATOM 0 H VAL A 47 -9.175 9.318 2.246 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.372 7.449 3.619 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.929 8.753 5.023 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -11.359 8.390 4.866 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -10.701 9.129 3.387 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -11.112 7.398 3.409 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.967 6.876 6.231 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.653 5.813 4.839 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.293 6.511 5.750 1.00 0.00 H new ATOM 727 N GLY A 48 -8.321 5.294 2.731 1.00 0.00 N ATOM 728 CA GLY A 48 -8.730 4.091 2.030 1.00 0.00 C ATOM 729 C GLY A 48 -7.747 3.688 0.948 1.00 0.00 C ATOM 730 O GLY A 48 -7.571 2.502 0.672 1.00 0.00 O ATOM 0 H GLY A 48 -7.588 5.156 3.427 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.833 3.275 2.745 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.712 4.250 1.584 1.00 0.00 H new ATOM 734 N ASP A 49 -7.108 4.677 0.332 1.00 0.00 N ATOM 735 CA ASP A 49 -6.139 4.419 -0.726 1.00 0.00 C ATOM 736 C ASP A 49 -4.723 4.347 -0.162 1.00 0.00 C ATOM 737 O ASP A 49 -4.429 4.930 0.882 1.00 0.00 O ATOM 738 CB ASP A 49 -6.218 5.510 -1.796 1.00 0.00 C ATOM 739 CG ASP A 49 -7.202 5.166 -2.897 1.00 0.00 C ATOM 740 OD1 ASP A 49 -8.338 4.761 -2.574 1.00 0.00 O ATOM 741 OD2 ASP A 49 -6.836 5.302 -4.084 1.00 0.00 O ATOM 0 H ASP A 49 -7.244 5.665 0.548 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.381 3.457 -1.178 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.511 6.451 -1.331 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.230 5.663 -2.230 1.00 0.00 H new ATOM 746 N PHE A 50 -3.849 3.628 -0.860 1.00 0.00 N ATOM 747 CA PHE A 50 -2.464 3.479 -0.429 1.00 0.00 C ATOM 748 C PHE A 50 -1.527 3.400 -1.629 1.00 0.00 C ATOM 749 O PHE A 50 -1.903 2.906 -2.692 1.00 0.00 O ATOM 750 CB PHE A 50 -2.310 2.226 0.437 1.00 0.00 C ATOM 751 CG PHE A 50 -3.364 2.099 1.499 1.00 0.00 C ATOM 752 CD1 PHE A 50 -3.286 2.845 2.664 1.00 0.00 C ATOM 753 CD2 PHE A 50 -4.431 1.230 1.333 1.00 0.00 C ATOM 754 CE1 PHE A 50 -4.255 2.729 3.643 1.00 0.00 C ATOM 755 CE2 PHE A 50 -5.403 1.110 2.308 1.00 0.00 C ATOM 756 CZ PHE A 50 -5.314 1.860 3.465 1.00 0.00 C ATOM 0 H PHE A 50 -4.076 3.140 -1.726 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.196 4.356 0.161 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.343 1.345 -0.204 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.328 2.239 0.910 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.459 3.525 2.809 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -4.504 0.640 0.431 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.184 3.317 4.546 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -6.231 0.431 2.166 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.071 1.767 4.229 1.00 0.00 H new ATOM 766 N GLU A 51 -0.304 3.890 -1.452 1.00 0.00 N ATOM 767 CA GLU A 51 0.689 3.876 -2.521 1.00 0.00 C ATOM 768 C GLU A 51 1.808 2.887 -2.210 1.00 0.00 C ATOM 769 O GLU A 51 2.555 3.063 -1.248 1.00 0.00 O ATOM 770 CB GLU A 51 1.270 5.276 -2.724 1.00 0.00 C ATOM 771 CG GLU A 51 2.101 5.411 -3.990 1.00 0.00 C ATOM 772 CD GLU A 51 1.580 6.492 -4.919 1.00 0.00 C ATOM 773 OE1 GLU A 51 0.381 6.449 -5.264 1.00 0.00 O ATOM 774 OE2 GLU A 51 2.372 7.379 -5.299 1.00 0.00 O ATOM 0 H GLU A 51 0.023 4.302 -0.578 1.00 0.00 H new ATOM 0 HA GLU A 51 0.194 3.560 -3.439 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.454 5.998 -2.756 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.889 5.532 -1.864 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.133 5.636 -3.720 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.110 4.457 -4.518 1.00 0.00 H new ATOM 781 N VAL A 52 1.918 1.847 -3.031 1.00 0.00 N ATOM 782 CA VAL A 52 2.946 0.831 -2.844 1.00 0.00 C ATOM 783 C VAL A 52 4.006 0.915 -3.937 1.00 0.00 C ATOM 784 O VAL A 52 3.696 1.184 -5.097 1.00 0.00 O ATOM 785 CB VAL A 52 2.342 -0.586 -2.839 1.00 0.00 C ATOM 786 CG1 VAL A 52 3.392 -1.613 -2.447 1.00 0.00 C ATOM 787 CG2 VAL A 52 1.143 -0.652 -1.904 1.00 0.00 C ATOM 0 H VAL A 52 1.307 1.686 -3.832 1.00 0.00 H new ATOM 0 HA VAL A 52 3.409 1.024 -1.876 1.00 0.00 H new ATOM 0 HB VAL A 52 2.000 -0.819 -3.847 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.947 -2.608 -2.449 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.215 -1.583 -3.161 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.768 -1.386 -1.450 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.729 -1.660 -1.913 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.457 -0.398 -0.892 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.383 0.055 -2.237 1.00 0.00 H new ATOM 797 N LYS A 53 5.259 0.684 -3.558 1.00 0.00 N ATOM 798 CA LYS A 53 6.365 0.733 -4.508 1.00 0.00 C ATOM 799 C LYS A 53 7.442 -0.284 -4.143 1.00 0.00 C ATOM 800 O LYS A 53 8.161 -0.116 -3.160 1.00 0.00 O ATOM 801 CB LYS A 53 6.968 2.139 -4.546 1.00 0.00 C ATOM 802 CG LYS A 53 7.930 2.355 -5.704 1.00 0.00 C ATOM 803 CD LYS A 53 7.625 3.642 -6.453 1.00 0.00 C ATOM 804 CE LYS A 53 8.876 4.228 -7.088 1.00 0.00 C ATOM 805 NZ LYS A 53 8.653 5.615 -7.579 1.00 0.00 N ATOM 0 H LYS A 53 5.534 0.461 -2.601 1.00 0.00 H new ATOM 0 HA LYS A 53 5.975 0.484 -5.495 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.162 2.870 -4.612 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.492 2.327 -3.609 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.952 2.386 -5.327 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.869 1.511 -6.391 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.881 3.447 -7.225 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.189 4.369 -5.767 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.687 4.227 -6.360 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.192 3.596 -7.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.530 5.978 -8.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.897 5.613 -8.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.376 6.225 -6.783 1.00 0.00 H new ATOM 819 N ALA A 54 7.546 -1.339 -4.945 1.00 0.00 N ATOM 820 CA ALA A 54 8.535 -2.384 -4.709 1.00 0.00 C ATOM 821 C ALA A 54 9.123 -2.888 -6.023 1.00 0.00 C ATOM 822 O ALA A 54 8.495 -3.671 -6.736 1.00 0.00 O ATOM 823 CB ALA A 54 7.912 -3.533 -3.929 1.00 0.00 C ATOM 0 H ALA A 54 6.957 -1.493 -5.764 1.00 0.00 H new ATOM 0 HA ALA A 54 9.346 -1.958 -4.119 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.661 -4.306 -3.760 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.546 -3.166 -2.970 1.00 0.00 H new ATOM 0 HB3 ALA A 54 7.081 -3.951 -4.498 1.00 0.00 H new ATOM 974 N PHE A 64 2.326 2.045 -7.823 1.00 0.00 N ATOM 975 CA PHE A 64 1.146 1.201 -7.678 1.00 0.00 C ATOM 976 C PHE A 64 0.272 1.683 -6.524 1.00 0.00 C ATOM 977 O PHE A 64 0.772 2.007 -5.447 1.00 0.00 O ATOM 978 CB PHE A 64 1.558 -0.253 -7.447 1.00 0.00 C ATOM 979 CG PHE A 64 0.476 -1.243 -7.773 1.00 0.00 C ATOM 980 CD1 PHE A 64 -0.192 -1.184 -8.986 1.00 0.00 C ATOM 981 CD2 PHE A 64 0.126 -2.232 -6.867 1.00 0.00 C ATOM 982 CE1 PHE A 64 -1.188 -2.093 -9.290 1.00 0.00 C ATOM 983 CE2 PHE A 64 -0.868 -3.143 -7.165 1.00 0.00 C ATOM 984 CZ PHE A 64 -1.526 -3.074 -8.378 1.00 0.00 C ATOM 0 HA PHE A 64 0.568 1.265 -8.600 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.436 -0.474 -8.054 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.851 -0.378 -6.405 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.069 -0.419 -9.702 1.00 0.00 H new ATOM 0 HD2 PHE A 64 0.637 -2.291 -5.917 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.701 -2.036 -10.239 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.131 -3.909 -6.450 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.303 -3.786 -8.613 1.00 0.00 H new ATOM 994 N MET A 65 -1.035 1.729 -6.758 1.00 0.00 N ATOM 995 CA MET A 65 -1.980 2.171 -5.738 1.00 0.00 C ATOM 996 C MET A 65 -2.859 1.014 -5.274 1.00 0.00 C ATOM 997 O MET A 65 -3.697 0.516 -6.026 1.00 0.00 O ATOM 998 CB MET A 65 -2.851 3.308 -6.279 1.00 0.00 C ATOM 999 CG MET A 65 -2.425 4.683 -5.794 1.00 0.00 C ATOM 1000 SD MET A 65 -2.647 5.962 -7.046 1.00 0.00 S ATOM 1001 CE MET A 65 -2.803 7.420 -6.017 1.00 0.00 C ATOM 0 H MET A 65 -1.465 1.466 -7.645 1.00 0.00 H new ATOM 0 HA MET A 65 -1.411 2.536 -4.883 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.821 3.291 -7.368 1.00 0.00 H new ATOM 0 HB3 MET A 65 -3.886 3.133 -5.986 1.00 0.00 H new ATOM 0 HG2 MET A 65 -3.001 4.945 -4.906 1.00 0.00 H new ATOM 0 HG3 MET A 65 -1.377 4.650 -5.496 1.00 0.00 H new ATOM 0 HE1 MET A 65 -2.750 8.313 -6.640 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.760 7.397 -5.496 1.00 0.00 H new ATOM 0 HE3 MET A 65 -1.994 7.439 -5.287 1.00 0.00 H new ATOM 1011 N LEU A 66 -2.661 0.590 -4.030 1.00 0.00 N ATOM 1012 CA LEU A 66 -3.436 -0.509 -3.464 1.00 0.00 C ATOM 1013 C LEU A 66 -4.777 -0.013 -2.934 1.00 0.00 C ATOM 1014 O LEU A 66 -4.842 0.633 -1.888 1.00 0.00 O ATOM 1015 CB LEU A 66 -2.650 -1.189 -2.341 1.00 0.00 C ATOM 1016 CG LEU A 66 -3.283 -2.467 -1.789 1.00 0.00 C ATOM 1017 CD1 LEU A 66 -3.555 -3.455 -2.912 1.00 0.00 C ATOM 1018 CD2 LEU A 66 -2.385 -3.092 -0.732 1.00 0.00 C ATOM 0 H LEU A 66 -1.971 0.990 -3.395 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.625 -1.233 -4.256 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.652 -1.426 -2.709 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.528 -0.479 -1.523 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.234 -2.208 -1.323 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.005 -4.358 -2.501 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.237 -3.006 -3.634 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.618 -3.710 -3.407 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.851 -4.000 -0.350 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.419 -3.338 -1.174 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.241 -2.386 0.086 1.00 0.00 H new ATOM 1030 N HIS A 67 -5.845 -0.319 -3.663 1.00 0.00 N ATOM 1031 CA HIS A 67 -7.186 0.095 -3.267 1.00 0.00 C ATOM 1032 C HIS A 67 -7.708 -0.770 -2.124 1.00 0.00 C ATOM 1033 O HIS A 67 -7.175 -1.845 -1.853 1.00 0.00 O ATOM 1034 CB HIS A 67 -8.140 0.015 -4.459 1.00 0.00 C ATOM 1035 CG HIS A 67 -7.831 1.004 -5.540 1.00 0.00 C ATOM 1036 ND1 HIS A 67 -7.237 0.655 -6.734 1.00 0.00 N ATOM 1037 CD2 HIS A 67 -8.040 2.342 -5.603 1.00 0.00 C ATOM 1038 CE1 HIS A 67 -7.092 1.733 -7.485 1.00 0.00 C ATOM 1039 NE2 HIS A 67 -7.571 2.769 -6.821 1.00 0.00 N ATOM 0 H HIS A 67 -5.808 -0.852 -4.532 1.00 0.00 H new ATOM 0 HA HIS A 67 -7.133 1.128 -2.922 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -8.103 -0.991 -4.877 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.160 0.178 -4.110 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -8.491 2.957 -4.838 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -6.656 1.762 -8.473 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -7.590 3.731 -7.158 1.00 0.00 H new ATOM 1048 N TYR A 68 -8.755 -0.292 -1.459 1.00 0.00 N ATOM 1049 CA TYR A 68 -9.350 -1.023 -0.345 1.00 0.00 C ATOM 1050 C TYR A 68 -10.493 -1.914 -0.823 1.00 0.00 C ATOM 1051 O TYR A 68 -10.790 -2.939 -0.211 1.00 0.00 O ATOM 1052 CB TYR A 68 -9.860 -0.047 0.718 1.00 0.00 C ATOM 1053 CG TYR A 68 -9.959 -0.653 2.099 1.00 0.00 C ATOM 1054 CD1 TYR A 68 -8.824 -1.088 2.771 1.00 0.00 C ATOM 1055 CD2 TYR A 68 -11.189 -0.790 2.732 1.00 0.00 C ATOM 1056 CE1 TYR A 68 -8.911 -1.643 4.034 1.00 0.00 C ATOM 1057 CE2 TYR A 68 -11.283 -1.344 3.995 1.00 0.00 C ATOM 1058 CZ TYR A 68 -10.142 -1.768 4.641 1.00 0.00 C ATOM 1059 OH TYR A 68 -10.233 -2.320 5.898 1.00 0.00 O ATOM 0 H TYR A 68 -9.208 0.597 -1.671 1.00 0.00 H new ATOM 0 HA TYR A 68 -8.579 -1.657 0.092 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.195 0.816 0.756 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -10.842 0.320 0.420 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.857 -0.991 2.299 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -12.085 -0.458 2.229 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -8.019 -1.977 4.543 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -12.246 -1.444 4.473 1.00 0.00 H new ATOM 0 HH TYR A 68 -11.171 -2.334 6.182 1.00 0.00 H new ATOM 1069 N GLN A 69 -11.131 -1.515 -1.919 1.00 0.00 N ATOM 1070 CA GLN A 69 -12.242 -2.279 -2.479 1.00 0.00 C ATOM 1071 C GLN A 69 -11.823 -3.715 -2.779 1.00 0.00 C ATOM 1072 O GLN A 69 -12.522 -4.663 -2.422 1.00 0.00 O ATOM 1073 CB GLN A 69 -12.758 -1.609 -3.753 1.00 0.00 C ATOM 1074 CG GLN A 69 -13.772 -0.506 -3.494 1.00 0.00 C ATOM 1075 CD GLN A 69 -13.157 0.703 -2.816 1.00 0.00 C ATOM 1076 OE1 GLN A 69 -12.851 0.569 -1.531 1.00 0.00 O flip ATOM 1077 NE2 GLN A 69 -12.960 1.746 -3.440 1.00 0.00 N flip ATOM 0 H GLN A 69 -10.898 -0.668 -2.437 1.00 0.00 H new ATOM 0 HA GLN A 69 -13.042 -2.302 -1.739 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -11.913 -1.193 -4.302 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -13.212 -2.366 -4.393 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -14.219 -0.199 -4.439 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -14.577 -0.896 -2.872 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -13.211 1.805 -4.427 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -12.546 2.551 -2.970 1.00 0.00 H new ATOM 1086 N ASP A 70 -10.680 -3.866 -3.440 1.00 0.00 N ATOM 1087 CA ASP A 70 -10.168 -5.187 -3.789 1.00 0.00 C ATOM 1088 C ASP A 70 -9.940 -6.030 -2.539 1.00 0.00 C ATOM 1089 O ASP A 70 -10.303 -7.206 -2.495 1.00 0.00 O ATOM 1090 CB ASP A 70 -8.863 -5.058 -4.578 1.00 0.00 C ATOM 1091 CG ASP A 70 -9.094 -5.019 -6.075 1.00 0.00 C ATOM 1092 OD1 ASP A 70 -9.984 -5.752 -6.558 1.00 0.00 O ATOM 1093 OD2 ASP A 70 -8.387 -4.256 -6.765 1.00 0.00 O ATOM 0 H ASP A 70 -10.091 -3.091 -3.745 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.912 -5.686 -4.410 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -8.343 -4.151 -4.270 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -8.211 -5.897 -4.336 1.00 0.00 H new ATOM 1098 N LEU A 71 -9.336 -5.421 -1.523 1.00 0.00 N ATOM 1099 CA LEU A 71 -9.059 -6.116 -0.271 1.00 0.00 C ATOM 1100 C LEU A 71 -10.353 -6.563 0.401 1.00 0.00 C ATOM 1101 O LEU A 71 -10.451 -7.685 0.898 1.00 0.00 O ATOM 1102 CB LEU A 71 -8.268 -5.209 0.674 1.00 0.00 C ATOM 1103 CG LEU A 71 -6.899 -4.767 0.154 1.00 0.00 C ATOM 1104 CD1 LEU A 71 -6.191 -3.904 1.186 1.00 0.00 C ATOM 1105 CD2 LEU A 71 -6.051 -5.977 -0.205 1.00 0.00 C ATOM 0 H LEU A 71 -9.029 -4.448 -1.542 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.465 -7.001 -0.499 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.864 -4.321 0.884 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.129 -5.730 1.621 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.047 -4.172 -0.747 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.219 -3.599 0.799 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.793 -3.019 1.395 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.053 -4.474 2.105 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.080 -5.645 -0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.910 -6.598 0.680 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.554 -6.557 -0.979 1.00 0.00 H new ATOM 1117 N LEU A 72 -11.345 -5.679 0.412 1.00 0.00 N ATOM 1118 CA LEU A 72 -12.634 -5.981 1.023 1.00 0.00 C ATOM 1119 C LEU A 72 -13.398 -7.014 0.199 1.00 0.00 C ATOM 1120 O LEU A 72 -14.139 -7.832 0.745 1.00 0.00 O ATOM 1121 CB LEU A 72 -13.466 -4.706 1.164 1.00 0.00 C ATOM 1122 CG LEU A 72 -13.061 -3.793 2.323 1.00 0.00 C ATOM 1123 CD1 LEU A 72 -13.958 -2.566 2.373 1.00 0.00 C ATOM 1124 CD2 LEU A 72 -13.114 -4.549 3.641 1.00 0.00 C ATOM 0 H LEU A 72 -11.281 -4.746 0.004 1.00 0.00 H new ATOM 0 HA LEU A 72 -12.450 -6.397 2.013 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -13.397 -4.141 0.235 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -14.512 -4.985 1.290 1.00 0.00 H new ATOM 0 HG LEU A 72 -12.036 -3.462 2.159 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -13.656 -1.928 3.203 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -13.869 -2.012 1.438 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -14.993 -2.877 2.513 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.823 -3.884 4.454 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -14.128 -4.910 3.813 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -12.429 -5.396 3.602 1.00 0.00 H new ATOM 1136 N GLN A 73 -13.213 -6.969 -1.116 1.00 0.00 N ATOM 1137 CA GLN A 73 -13.886 -7.900 -2.014 1.00 0.00 C ATOM 1138 C GLN A 73 -13.411 -9.329 -1.773 1.00 0.00 C ATOM 1139 O GLN A 73 -14.174 -10.282 -1.932 1.00 0.00 O ATOM 1140 CB GLN A 73 -13.640 -7.504 -3.472 1.00 0.00 C ATOM 1141 CG GLN A 73 -14.895 -7.531 -4.330 1.00 0.00 C ATOM 1142 CD GLN A 73 -14.834 -8.583 -5.420 1.00 0.00 C ATOM 1143 OE1 GLN A 73 -13.786 -8.806 -6.027 1.00 0.00 O ATOM 1144 NE2 GLN A 73 -15.962 -9.236 -5.676 1.00 0.00 N ATOM 0 H GLN A 73 -12.603 -6.298 -1.583 1.00 0.00 H new ATOM 0 HA GLN A 73 -14.956 -7.854 -1.809 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -13.212 -6.502 -3.500 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -12.901 -8.179 -3.903 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -15.761 -7.721 -3.695 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -15.041 -6.551 -4.784 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -16.808 -9.019 -5.149 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -15.982 -9.954 -6.400 1.00 0.00 H new ATOM 1153 N LEU A 74 -12.147 -9.470 -1.387 1.00 0.00 N ATOM 1154 CA LEU A 74 -11.572 -10.784 -1.123 1.00 0.00 C ATOM 1155 C LEU A 74 -12.073 -11.341 0.205 1.00 0.00 C ATOM 1156 O LEU A 74 -12.398 -12.523 0.312 1.00 0.00 O ATOM 1157 CB LEU A 74 -10.044 -10.702 -1.111 1.00 0.00 C ATOM 1158 CG LEU A 74 -9.405 -10.303 -2.442 1.00 0.00 C ATOM 1159 CD1 LEU A 74 -8.066 -9.622 -2.209 1.00 0.00 C ATOM 1160 CD2 LEU A 74 -9.236 -11.522 -3.337 1.00 0.00 C ATOM 0 H LEU A 74 -11.502 -8.692 -1.250 1.00 0.00 H new ATOM 0 HA LEU A 74 -11.887 -11.457 -1.920 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -9.740 -9.983 -0.350 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -9.646 -11.671 -0.811 1.00 0.00 H new ATOM 0 HG LEU A 74 -10.066 -9.596 -2.943 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.627 -9.346 -3.167 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -8.213 -8.726 -1.606 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.396 -10.305 -1.687 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -8.780 -11.221 -4.280 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -8.596 -12.252 -2.841 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -10.211 -11.968 -3.532 1.00 0.00 H new ATOM 1172 N GLN A 75 -12.134 -10.480 1.216 1.00 0.00 N ATOM 1173 CA GLN A 75 -12.598 -10.884 2.538 1.00 0.00 C ATOM 1174 C GLN A 75 -14.075 -11.260 2.506 1.00 0.00 C ATOM 1175 O GLN A 75 -14.523 -12.127 3.256 1.00 0.00 O ATOM 1176 CB GLN A 75 -12.368 -9.758 3.548 1.00 0.00 C ATOM 1177 CG GLN A 75 -12.296 -10.237 4.988 1.00 0.00 C ATOM 1178 CD GLN A 75 -11.234 -9.513 5.791 1.00 0.00 C ATOM 1179 OE1 GLN A 75 -11.532 -8.576 6.533 1.00 0.00 O ATOM 1180 NE2 GLN A 75 -9.985 -9.942 5.646 1.00 0.00 N ATOM 0 H GLN A 75 -11.868 -9.498 1.145 1.00 0.00 H new ATOM 0 HA GLN A 75 -12.026 -11.760 2.844 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.441 -9.242 3.299 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -13.173 -9.029 3.456 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -13.266 -10.094 5.464 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.089 -11.307 5.001 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -9.783 -10.722 5.020 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -9.228 -9.492 6.160 1.00 0.00 H new ATOM 1189 N TYR A 76 -14.828 -10.602 1.630 1.00 0.00 N ATOM 1190 CA TYR A 76 -16.256 -10.867 1.500 1.00 0.00 C ATOM 1191 C TYR A 76 -16.503 -12.131 0.682 1.00 0.00 C ATOM 1192 O TYR A 76 -17.461 -12.864 0.928 1.00 0.00 O ATOM 1193 CB TYR A 76 -16.959 -9.676 0.844 1.00 0.00 C ATOM 1194 CG TYR A 76 -18.464 -9.717 0.969 1.00 0.00 C ATOM 1195 CD1 TYR A 76 -19.082 -9.580 2.207 1.00 0.00 C ATOM 1196 CD2 TYR A 76 -19.269 -9.893 -0.149 1.00 0.00 C ATOM 1197 CE1 TYR A 76 -20.459 -9.617 2.325 1.00 0.00 C ATOM 1198 CE2 TYR A 76 -20.646 -9.929 -0.039 1.00 0.00 C ATOM 1199 CZ TYR A 76 -21.235 -9.791 1.199 1.00 0.00 C ATOM 1200 OH TYR A 76 -22.607 -9.828 1.312 1.00 0.00 O ATOM 0 H TYR A 76 -14.473 -9.882 1.000 1.00 0.00 H new ATOM 0 HA TYR A 76 -16.665 -11.017 2.499 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -16.591 -8.754 1.294 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -16.691 -9.644 -0.212 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -18.477 -9.442 3.091 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -18.811 -10.004 -1.121 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -20.924 -9.510 3.294 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -21.257 -10.065 -0.919 1.00 0.00 H new ATOM 0 HH TYR A 76 -23.005 -9.956 0.426 1.00 0.00 H new ATOM 1210 N GLU A 77 -15.634 -12.379 -0.292 1.00 0.00 N ATOM 1211 CA GLU A 77 -15.757 -13.554 -1.146 1.00 0.00 C ATOM 1212 C GLU A 77 -15.308 -14.811 -0.409 1.00 0.00 C ATOM 1213 O GLU A 77 -16.098 -15.730 -0.188 1.00 0.00 O ATOM 1214 CB GLU A 77 -14.935 -13.374 -2.422 1.00 0.00 C ATOM 1215 CG GLU A 77 -15.693 -12.681 -3.543 1.00 0.00 C ATOM 1216 CD GLU A 77 -15.754 -13.513 -4.809 1.00 0.00 C ATOM 1217 OE1 GLU A 77 -15.941 -14.743 -4.703 1.00 0.00 O ATOM 1218 OE2 GLU A 77 -15.615 -12.934 -5.907 1.00 0.00 O ATOM 0 H GLU A 77 -14.836 -11.781 -0.510 1.00 0.00 H new ATOM 0 HA GLU A 77 -16.807 -13.668 -1.415 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.040 -12.797 -2.189 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -14.602 -14.352 -2.770 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -16.707 -12.461 -3.209 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.215 -11.726 -3.763 1.00 0.00 H new ATOM 1225 N GLY A 78 -14.034 -14.847 -0.031 1.00 0.00 N ATOM 1226 CA GLY A 78 -13.502 -15.996 0.676 1.00 0.00 C ATOM 1227 C GLY A 78 -12.091 -16.344 0.243 1.00 0.00 C ATOM 1228 O GLY A 78 -11.781 -17.508 -0.008 1.00 0.00 O ATOM 0 H GLY A 78 -13.361 -14.100 -0.202 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.510 -15.795 1.747 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -14.152 -16.855 0.508 1.00 0.00 H new ATOM 1232 N VAL A 79 -11.235 -15.332 0.154 1.00 0.00 N ATOM 1233 CA VAL A 79 -9.850 -15.536 -0.253 1.00 0.00 C ATOM 1234 C VAL A 79 -8.890 -15.219 0.888 1.00 0.00 C ATOM 1235 O VAL A 79 -9.088 -14.257 1.630 1.00 0.00 O ATOM 1236 CB VAL A 79 -9.487 -14.665 -1.471 1.00 0.00 C ATOM 1237 CG1 VAL A 79 -8.111 -15.037 -2.003 1.00 0.00 C ATOM 1238 CG2 VAL A 79 -10.541 -14.800 -2.558 1.00 0.00 C ATOM 0 H VAL A 79 -11.476 -14.362 0.358 1.00 0.00 H new ATOM 0 HA VAL A 79 -9.753 -16.587 -0.526 1.00 0.00 H new ATOM 0 HB VAL A 79 -9.459 -13.623 -1.153 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.872 -14.411 -2.863 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.365 -14.882 -1.223 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -8.108 -16.084 -2.305 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -10.267 -14.178 -3.410 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -10.605 -15.841 -2.875 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -11.507 -14.479 -2.170 1.00 0.00 H new ATOM 1248 N ALA A 80 -7.849 -16.035 1.023 1.00 0.00 N ATOM 1249 CA ALA A 80 -6.858 -15.841 2.073 1.00 0.00 C ATOM 1250 C ALA A 80 -5.530 -15.364 1.494 1.00 0.00 C ATOM 1251 O ALA A 80 -4.778 -14.643 2.151 1.00 0.00 O ATOM 1252 CB ALA A 80 -6.661 -17.131 2.856 1.00 0.00 C ATOM 0 H ALA A 80 -7.671 -16.837 0.418 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.227 -15.070 2.749 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.918 -16.972 3.638 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.606 -17.430 3.309 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.317 -17.916 2.183 1.00 0.00 H new ATOM 1258 N VAL A 81 -5.247 -15.771 0.261 1.00 0.00 N ATOM 1259 CA VAL A 81 -4.011 -15.385 -0.407 1.00 0.00 C ATOM 1260 C VAL A 81 -4.267 -14.316 -1.463 1.00 0.00 C ATOM 1261 O VAL A 81 -5.324 -14.294 -2.094 1.00 0.00 O ATOM 1262 CB VAL A 81 -3.328 -16.595 -1.071 1.00 0.00 C ATOM 1263 CG1 VAL A 81 -1.966 -16.206 -1.625 1.00 0.00 C ATOM 1264 CG2 VAL A 81 -3.199 -17.747 -0.086 1.00 0.00 C ATOM 0 H VAL A 81 -5.858 -16.369 -0.296 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.350 -14.982 0.361 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.952 -16.925 -1.901 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.500 -17.075 -2.090 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.087 -15.418 -2.369 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.333 -15.845 -0.814 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.714 -18.592 -0.575 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.601 -17.430 0.768 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.190 -18.046 0.256 1.00 0.00 H new ATOM 1274 N MET A 82 -3.293 -13.431 -1.652 1.00 0.00 N ATOM 1275 CA MET A 82 -3.414 -12.359 -2.633 1.00 0.00 C ATOM 1276 C MET A 82 -2.220 -12.355 -3.583 1.00 0.00 C ATOM 1277 O MET A 82 -1.096 -12.659 -3.183 1.00 0.00 O ATOM 1278 CB MET A 82 -3.526 -11.006 -1.931 1.00 0.00 C ATOM 1279 CG MET A 82 -3.805 -9.850 -2.877 1.00 0.00 C ATOM 1280 SD MET A 82 -3.976 -8.274 -2.019 1.00 0.00 S ATOM 1281 CE MET A 82 -3.136 -7.175 -3.157 1.00 0.00 C ATOM 0 H MET A 82 -2.412 -13.435 -1.139 1.00 0.00 H new ATOM 0 HA MET A 82 -4.319 -12.533 -3.215 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.322 -11.057 -1.188 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.599 -10.808 -1.392 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.996 -9.777 -3.604 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.718 -10.056 -3.436 1.00 0.00 H new ATOM 0 HE1 MET A 82 -2.326 -6.663 -2.637 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.727 -7.753 -3.986 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.843 -6.440 -3.541 1.00 0.00 H new ATOM 1291 N LYS A 83 -2.472 -12.010 -4.840 1.00 0.00 N ATOM 1292 CA LYS A 83 -1.417 -11.967 -5.846 1.00 0.00 C ATOM 1293 C LYS A 83 -0.941 -10.535 -6.074 1.00 0.00 C ATOM 1294 O LYS A 83 -1.604 -9.750 -6.753 1.00 0.00 O ATOM 1295 CB LYS A 83 -1.912 -12.567 -7.163 1.00 0.00 C ATOM 1296 CG LYS A 83 -0.819 -12.730 -8.207 1.00 0.00 C ATOM 1297 CD LYS A 83 -0.085 -14.051 -8.041 1.00 0.00 C ATOM 1298 CE LYS A 83 -0.605 -15.106 -9.005 1.00 0.00 C ATOM 1299 NZ LYS A 83 0.456 -15.578 -9.938 1.00 0.00 N ATOM 0 H LYS A 83 -3.397 -11.756 -5.187 1.00 0.00 H new ATOM 0 HA LYS A 83 -0.577 -12.557 -5.480 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -2.360 -13.540 -6.963 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.699 -11.931 -7.569 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -1.256 -12.678 -9.204 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.110 -11.906 -8.126 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.981 -13.899 -8.208 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -0.200 -14.405 -7.017 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.995 -15.953 -8.440 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -1.436 -14.696 -9.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.070 -16.320 -10.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.787 -14.781 -10.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.253 -15.962 -9.391 1.00 0.00 H new ATOM 1313 N LEU A 84 0.212 -10.202 -5.502 1.00 0.00 N ATOM 1314 CA LEU A 84 0.776 -8.866 -5.642 1.00 0.00 C ATOM 1315 C LEU A 84 1.935 -8.867 -6.634 1.00 0.00 C ATOM 1316 O LEU A 84 2.808 -9.733 -6.584 1.00 0.00 O ATOM 1317 CB LEU A 84 1.251 -8.345 -4.284 1.00 0.00 C ATOM 1318 CG LEU A 84 0.216 -7.530 -3.505 1.00 0.00 C ATOM 1319 CD1 LEU A 84 0.808 -7.020 -2.199 1.00 0.00 C ATOM 1320 CD2 LEU A 84 -0.294 -6.372 -4.351 1.00 0.00 C ATOM 0 H LEU A 84 0.773 -10.840 -4.937 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.004 -8.207 -6.023 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.557 -9.194 -3.673 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.136 -7.728 -4.438 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.626 -8.180 -3.267 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.057 -6.443 -1.660 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.124 -7.866 -1.588 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.668 -6.386 -2.413 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.029 -5.802 -3.783 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.539 -5.723 -4.619 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.758 -6.760 -5.258 1.00 0.00 H new ATOM 1332 N PHE A 85 1.936 -7.889 -7.535 1.00 0.00 N ATOM 1333 CA PHE A 85 2.987 -7.776 -8.540 1.00 0.00 C ATOM 1334 C PHE A 85 3.042 -9.022 -9.422 1.00 0.00 C ATOM 1335 O PHE A 85 4.070 -9.314 -10.034 1.00 0.00 O ATOM 1336 CB PHE A 85 4.342 -7.556 -7.867 1.00 0.00 C ATOM 1337 CG PHE A 85 4.404 -6.305 -7.038 1.00 0.00 C ATOM 1338 CD1 PHE A 85 4.332 -5.056 -7.637 1.00 0.00 C ATOM 1339 CD2 PHE A 85 4.536 -6.376 -5.660 1.00 0.00 C ATOM 1340 CE1 PHE A 85 4.389 -3.904 -6.877 1.00 0.00 C ATOM 1341 CE2 PHE A 85 4.594 -5.226 -4.896 1.00 0.00 C ATOM 1342 CZ PHE A 85 4.521 -3.988 -5.505 1.00 0.00 C ATOM 0 H PHE A 85 1.221 -7.164 -7.589 1.00 0.00 H new ATOM 0 HA PHE A 85 2.756 -6.918 -9.172 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.567 -8.414 -7.233 1.00 0.00 H new ATOM 0 HB3 PHE A 85 5.116 -7.513 -8.633 1.00 0.00 H new ATOM 0 HD1 PHE A 85 4.230 -4.983 -8.710 1.00 0.00 H new ATOM 0 HD2 PHE A 85 4.594 -7.341 -5.178 1.00 0.00 H new ATOM 0 HE1 PHE A 85 4.330 -2.938 -7.356 1.00 0.00 H new ATOM 0 HE2 PHE A 85 4.696 -5.295 -3.823 1.00 0.00 H new ATOM 0 HZ PHE A 85 4.567 -3.088 -4.909 1.00 0.00 H new ATOM 1352 N ASP A 86 1.931 -9.751 -9.486 1.00 0.00 N ATOM 1353 CA ASP A 86 1.855 -10.964 -10.296 1.00 0.00 C ATOM 1354 C ASP A 86 2.975 -11.936 -9.934 1.00 0.00 C ATOM 1355 O ASP A 86 3.487 -12.655 -10.792 1.00 0.00 O ATOM 1356 CB ASP A 86 1.931 -10.613 -11.783 1.00 0.00 C ATOM 1357 CG ASP A 86 0.650 -9.986 -12.295 1.00 0.00 C ATOM 1358 OD1 ASP A 86 0.482 -8.759 -12.130 1.00 0.00 O ATOM 1359 OD2 ASP A 86 -0.187 -10.722 -12.859 1.00 0.00 O ATOM 0 H ASP A 86 1.071 -9.523 -8.987 1.00 0.00 H new ATOM 0 HA ASP A 86 0.900 -11.448 -10.090 1.00 0.00 H new ATOM 0 HB2 ASP A 86 2.760 -9.926 -11.949 1.00 0.00 H new ATOM 0 HB3 ASP A 86 2.145 -11.515 -12.356 1.00 0.00 H new ATOM 1364 N ARG A 87 3.350 -11.955 -8.659 1.00 0.00 N ATOM 1365 CA ARG A 87 4.408 -12.839 -8.187 1.00 0.00 C ATOM 1366 C ARG A 87 4.324 -13.031 -6.676 1.00 0.00 C ATOM 1367 O ARG A 87 3.979 -14.110 -6.195 1.00 0.00 O ATOM 1368 CB ARG A 87 5.779 -12.276 -8.566 1.00 0.00 C ATOM 1369 CG ARG A 87 6.123 -12.448 -10.036 1.00 0.00 C ATOM 1370 CD ARG A 87 7.624 -12.558 -10.248 1.00 0.00 C ATOM 1371 NE ARG A 87 7.990 -12.420 -11.656 1.00 0.00 N ATOM 1372 CZ ARG A 87 7.977 -11.264 -12.316 1.00 0.00 C ATOM 1373 NH1 ARG A 87 7.616 -10.144 -11.700 1.00 0.00 N ATOM 1374 NH2 ARG A 87 8.324 -11.226 -13.595 1.00 0.00 N ATOM 0 H ARG A 87 2.936 -11.368 -7.935 1.00 0.00 H new ATOM 0 HA ARG A 87 4.276 -13.809 -8.666 1.00 0.00 H new ATOM 0 HB2 ARG A 87 5.808 -11.215 -8.316 1.00 0.00 H new ATOM 0 HB3 ARG A 87 6.543 -12.767 -7.963 1.00 0.00 H new ATOM 0 HG2 ARG A 87 5.633 -13.342 -10.423 1.00 0.00 H new ATOM 0 HG3 ARG A 87 5.736 -11.601 -10.603 1.00 0.00 H new ATOM 0 HD2 ARG A 87 8.130 -11.788 -9.665 1.00 0.00 H new ATOM 0 HD3 ARG A 87 7.973 -13.521 -9.875 1.00 0.00 H new ATOM 0 HE ARG A 87 8.272 -13.259 -12.163 1.00 0.00 H new ATOM 0 HH11 ARG A 87 7.347 -10.167 -10.716 1.00 0.00 H new ATOM 0 HH12 ARG A 87 7.608 -9.261 -12.211 1.00 0.00 H new ATOM 0 HH21 ARG A 87 8.601 -12.083 -14.074 1.00 0.00 H new ATOM 0 HH22 ARG A 87 8.314 -10.340 -14.100 1.00 0.00 H new ATOM 1388 N ALA A 88 4.644 -11.977 -5.933 1.00 0.00 N ATOM 1389 CA ALA A 88 4.607 -12.028 -4.476 1.00 0.00 C ATOM 1390 C ALA A 88 3.211 -12.382 -3.974 1.00 0.00 C ATOM 1391 O ALA A 88 2.207 -11.988 -4.567 1.00 0.00 O ATOM 1392 CB ALA A 88 5.058 -10.700 -3.890 1.00 0.00 C ATOM 0 H ALA A 88 4.932 -11.077 -6.316 1.00 0.00 H new ATOM 0 HA ALA A 88 5.292 -12.809 -4.148 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.025 -10.753 -2.802 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.077 -10.487 -4.213 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.395 -9.906 -4.235 1.00 0.00 H new ATOM 1398 N LYS A 89 3.155 -13.128 -2.875 1.00 0.00 N ATOM 1399 CA LYS A 89 1.883 -13.536 -2.290 1.00 0.00 C ATOM 1400 C LYS A 89 1.778 -13.070 -0.841 1.00 0.00 C ATOM 1401 O LYS A 89 2.676 -13.312 -0.035 1.00 0.00 O ATOM 1402 CB LYS A 89 1.728 -15.056 -2.362 1.00 0.00 C ATOM 1403 CG LYS A 89 1.302 -15.560 -3.731 1.00 0.00 C ATOM 1404 CD LYS A 89 1.130 -17.070 -3.741 1.00 0.00 C ATOM 1405 CE LYS A 89 0.304 -17.530 -4.932 1.00 0.00 C ATOM 1406 NZ LYS A 89 0.019 -18.990 -4.880 1.00 0.00 N ATOM 0 H LYS A 89 3.977 -13.462 -2.371 1.00 0.00 H new ATOM 0 HA LYS A 89 1.081 -13.070 -2.863 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.675 -15.523 -2.091 1.00 0.00 H new ATOM 0 HB3 LYS A 89 0.993 -15.373 -1.622 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.365 -15.084 -4.019 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.047 -15.273 -4.473 1.00 0.00 H new ATOM 0 HD2 LYS A 89 2.109 -17.548 -3.770 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.647 -17.388 -2.817 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -0.635 -16.978 -4.957 1.00 0.00 H new ATOM 0 HE3 LYS A 89 0.836 -17.297 -5.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -0.546 -19.263 -5.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 0.915 -19.519 -4.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -0.511 -19.210 -4.013 1.00 0.00 H new ATOM 1420 N VAL A 90 0.677 -12.398 -0.519 1.00 0.00 N ATOM 1421 CA VAL A 90 0.458 -11.897 0.832 1.00 0.00 C ATOM 1422 C VAL A 90 -0.896 -12.347 1.373 1.00 0.00 C ATOM 1423 O VAL A 90 -1.810 -12.653 0.609 1.00 0.00 O ATOM 1424 CB VAL A 90 0.530 -10.358 0.880 1.00 0.00 C ATOM 1425 CG1 VAL A 90 0.460 -9.862 2.315 1.00 0.00 C ATOM 1426 CG2 VAL A 90 1.796 -9.860 0.197 1.00 0.00 C ATOM 0 H VAL A 90 -0.076 -12.188 -1.175 1.00 0.00 H new ATOM 0 HA VAL A 90 1.252 -12.311 1.454 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.328 -9.957 0.341 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.512 -8.773 2.327 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.478 -10.185 2.766 1.00 0.00 H new ATOM 0 HG13 VAL A 90 1.296 -10.272 2.883 1.00 0.00 H new ATOM 0 HG21 VAL A 90 1.829 -8.771 0.241 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.669 -10.270 0.705 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.798 -10.181 -0.845 1.00 0.00 H new ATOM 1436 N ASN A 91 -1.014 -12.385 2.696 1.00 0.00 N ATOM 1437 CA ASN A 91 -2.256 -12.797 3.342 1.00 0.00 C ATOM 1438 C ASN A 91 -3.236 -11.632 3.425 1.00 0.00 C ATOM 1439 O ASN A 91 -2.926 -10.587 3.999 1.00 0.00 O ATOM 1440 CB ASN A 91 -1.969 -13.339 4.743 1.00 0.00 C ATOM 1441 CG ASN A 91 -2.888 -14.485 5.118 1.00 0.00 C ATOM 1442 OD1 ASN A 91 -3.449 -15.155 4.252 1.00 0.00 O ATOM 1443 ND2 ASN A 91 -3.046 -14.715 6.416 1.00 0.00 N ATOM 0 H ASN A 91 -0.265 -12.136 3.342 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.707 -13.586 2.740 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -0.933 -13.675 4.795 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -2.080 -12.535 5.471 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -3.652 -15.473 6.730 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.561 -14.134 7.100 1.00 0.00 H new ATOM 1450 N VAL A 92 -4.419 -11.816 2.850 1.00 0.00 N ATOM 1451 CA VAL A 92 -5.444 -10.780 2.859 1.00 0.00 C ATOM 1452 C VAL A 92 -6.006 -10.572 4.262 1.00 0.00 C ATOM 1453 O VAL A 92 -6.471 -9.483 4.599 1.00 0.00 O ATOM 1454 CB VAL A 92 -6.600 -11.127 1.902 1.00 0.00 C ATOM 1455 CG1 VAL A 92 -7.575 -9.964 1.797 1.00 0.00 C ATOM 1456 CG2 VAL A 92 -6.065 -11.508 0.529 1.00 0.00 C ATOM 0 H VAL A 92 -4.692 -12.674 2.371 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.966 -9.860 2.523 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.135 -11.985 2.308 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.385 -10.228 1.117 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.986 -9.744 2.782 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -7.054 -9.085 1.417 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.898 -11.749 -0.132 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.502 -10.672 0.113 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.412 -12.376 0.621 1.00 0.00 H new ATOM 1466 N ASN A 93 -5.965 -11.623 5.075 1.00 0.00 N ATOM 1467 CA ASN A 93 -6.475 -11.553 6.441 1.00 0.00 C ATOM 1468 C ASN A 93 -5.532 -10.762 7.342 1.00 0.00 C ATOM 1469 O ASN A 93 -5.964 -10.140 8.312 1.00 0.00 O ATOM 1470 CB ASN A 93 -6.672 -12.962 7.004 1.00 0.00 C ATOM 1471 CG ASN A 93 -8.055 -13.511 6.716 1.00 0.00 C ATOM 1472 OD1 ASN A 93 -8.200 -14.593 6.145 1.00 0.00 O ATOM 1473 ND2 ASN A 93 -9.081 -12.766 7.110 1.00 0.00 N ATOM 0 H ASN A 93 -5.585 -12.532 4.813 1.00 0.00 H new ATOM 0 HA ASN A 93 -7.435 -11.038 6.415 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -5.923 -13.629 6.577 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -6.507 -12.946 8.081 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -10.036 -13.084 6.943 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -8.914 -11.876 7.580 1.00 0.00 H new ATOM 1480 N LEU A 94 -4.242 -10.791 7.019 1.00 0.00 N ATOM 1481 CA LEU A 94 -3.243 -10.076 7.806 1.00 0.00 C ATOM 1482 C LEU A 94 -2.848 -8.765 7.135 1.00 0.00 C ATOM 1483 O LEU A 94 -2.492 -7.796 7.806 1.00 0.00 O ATOM 1484 CB LEU A 94 -2.004 -10.951 8.010 1.00 0.00 C ATOM 1485 CG LEU A 94 -2.162 -12.066 9.046 1.00 0.00 C ATOM 1486 CD1 LEU A 94 -1.018 -13.063 8.935 1.00 0.00 C ATOM 1487 CD2 LEU A 94 -2.229 -11.483 10.449 1.00 0.00 C ATOM 0 H LEU A 94 -3.865 -11.301 6.220 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.683 -9.844 8.776 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.733 -11.400 7.054 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.173 -10.313 8.309 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.096 -12.592 8.847 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.147 -13.849 9.679 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.015 -13.504 7.938 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.071 -12.551 9.108 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.341 -12.290 11.173 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.312 -10.932 10.658 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.082 -10.808 10.522 1.00 0.00 H new ATOM 1499 N LEU A 95 -2.911 -8.740 5.807 1.00 0.00 N ATOM 1500 CA LEU A 95 -2.557 -7.545 5.047 1.00 0.00 C ATOM 1501 C LEU A 95 -3.428 -6.361 5.455 1.00 0.00 C ATOM 1502 O LEU A 95 -2.948 -5.233 5.560 1.00 0.00 O ATOM 1503 CB LEU A 95 -2.705 -7.807 3.547 1.00 0.00 C ATOM 1504 CG LEU A 95 -2.331 -6.629 2.646 1.00 0.00 C ATOM 1505 CD1 LEU A 95 -0.821 -6.467 2.580 1.00 0.00 C ATOM 1506 CD2 LEU A 95 -2.910 -6.821 1.253 1.00 0.00 C ATOM 0 H LEU A 95 -3.203 -9.532 5.235 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.518 -7.301 5.267 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.083 -8.661 3.279 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.738 -8.088 3.343 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.755 -5.720 3.072 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.573 -5.624 1.935 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.431 -6.284 3.581 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -0.375 -7.376 2.177 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.635 -5.974 0.625 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.515 -7.739 0.818 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -3.996 -6.888 1.316 1.00 0.00 H new ATOM 1518 N ILE A 96 -4.709 -6.626 5.683 1.00 0.00 N ATOM 1519 CA ILE A 96 -5.647 -5.582 6.079 1.00 0.00 C ATOM 1520 C ILE A 96 -5.610 -5.352 7.586 1.00 0.00 C ATOM 1521 O ILE A 96 -5.815 -4.234 8.058 1.00 0.00 O ATOM 1522 CB ILE A 96 -7.088 -5.933 5.661 1.00 0.00 C ATOM 1523 CG1 ILE A 96 -7.127 -6.354 4.190 1.00 0.00 C ATOM 1524 CG2 ILE A 96 -8.014 -4.750 5.904 1.00 0.00 C ATOM 1525 CD1 ILE A 96 -8.377 -7.120 3.816 1.00 0.00 C ATOM 0 H ILE A 96 -5.122 -7.555 5.600 1.00 0.00 H new ATOM 0 HA ILE A 96 -5.339 -4.670 5.567 1.00 0.00 H new ATOM 0 HB ILE A 96 -7.433 -6.770 6.269 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -7.054 -5.465 3.564 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -6.254 -6.970 3.973 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -9.028 -5.014 5.604 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -8.005 -4.492 6.963 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.673 -3.895 5.320 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -8.338 -7.387 2.760 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -8.441 -8.027 4.417 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -9.253 -6.499 4.001 1.00 0.00 H new ATOM 1537 N PHE A 97 -5.348 -6.417 8.336 1.00 0.00 N ATOM 1538 CA PHE A 97 -5.286 -6.333 9.790 1.00 0.00 C ATOM 1539 C PHE A 97 -4.212 -5.344 10.235 1.00 0.00 C ATOM 1540 O PHE A 97 -4.336 -4.708 11.282 1.00 0.00 O ATOM 1541 CB PHE A 97 -5.005 -7.712 10.389 1.00 0.00 C ATOM 1542 CG PHE A 97 -5.026 -7.730 11.892 1.00 0.00 C ATOM 1543 CD1 PHE A 97 -6.226 -7.661 12.582 1.00 0.00 C ATOM 1544 CD2 PHE A 97 -3.846 -7.815 12.613 1.00 0.00 C ATOM 1545 CE1 PHE A 97 -6.249 -7.678 13.963 1.00 0.00 C ATOM 1546 CE2 PHE A 97 -3.863 -7.832 13.995 1.00 0.00 C ATOM 1547 CZ PHE A 97 -5.065 -7.763 14.671 1.00 0.00 C ATOM 0 H PHE A 97 -5.175 -7.349 7.960 1.00 0.00 H new ATOM 0 HA PHE A 97 -6.252 -5.977 10.149 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -5.745 -8.419 10.015 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.031 -8.058 10.043 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -7.154 -7.593 12.034 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.903 -7.869 12.090 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -7.191 -7.625 14.489 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.936 -7.899 14.546 1.00 0.00 H new ATOM 0 HZ PHE A 97 -5.080 -7.775 15.751 1.00 0.00 H new ATOM 1557 N LEU A 98 -3.157 -5.223 9.437 1.00 0.00 N ATOM 1558 CA LEU A 98 -2.061 -4.313 9.751 1.00 0.00 C ATOM 1559 C LEU A 98 -2.382 -2.891 9.299 1.00 0.00 C ATOM 1560 O LEU A 98 -2.213 -1.936 10.056 1.00 0.00 O ATOM 1561 CB LEU A 98 -0.768 -4.790 9.089 1.00 0.00 C ATOM 1562 CG LEU A 98 0.471 -3.950 9.407 1.00 0.00 C ATOM 1563 CD1 LEU A 98 1.243 -4.557 10.568 1.00 0.00 C ATOM 1564 CD2 LEU A 98 1.361 -3.824 8.180 1.00 0.00 C ATOM 0 H LEU A 98 -3.037 -5.743 8.568 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.928 -4.308 10.833 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -0.579 -5.819 9.395 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.913 -4.801 8.009 1.00 0.00 H new ATOM 0 HG LEU A 98 0.144 -2.951 9.697 1.00 0.00 H new ATOM 0 HD11 LEU A 98 2.121 -3.947 10.780 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.604 -4.593 11.450 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.558 -5.567 10.307 1.00 0.00 H new ATOM 0 HD21 LEU A 98 2.237 -3.223 8.426 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.680 -4.815 7.858 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.805 -3.343 7.375 1.00 0.00 H new ATOM 1576 N LEU A 99 -2.843 -2.759 8.060 1.00 0.00 N ATOM 1577 CA LEU A 99 -3.186 -1.454 7.506 1.00 0.00 C ATOM 1578 C LEU A 99 -4.293 -0.786 8.318 1.00 0.00 C ATOM 1579 O LEU A 99 -4.396 0.440 8.352 1.00 0.00 O ATOM 1580 CB LEU A 99 -3.622 -1.596 6.046 1.00 0.00 C ATOM 1581 CG LEU A 99 -2.539 -2.099 5.092 1.00 0.00 C ATOM 1582 CD1 LEU A 99 -3.164 -2.761 3.875 1.00 0.00 C ATOM 1583 CD2 LEU A 99 -1.628 -0.955 4.671 1.00 0.00 C ATOM 0 H LEU A 99 -2.988 -3.540 7.420 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.298 -0.824 7.555 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.470 -2.279 6.001 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.974 -0.627 5.692 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.938 -2.843 5.615 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.377 -3.113 3.208 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.774 -3.606 4.194 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.790 -2.040 3.350 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.863 -1.330 3.992 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.216 -0.188 4.167 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.152 -0.526 5.553 1.00 0.00 H new ATOM 1595 N ASN A 100 -5.121 -1.600 8.965 1.00 0.00 N ATOM 1596 CA ASN A 100 -6.221 -1.086 9.774 1.00 0.00 C ATOM 1597 C ASN A 100 -5.706 -0.266 10.955 1.00 0.00 C ATOM 1598 O ASN A 100 -6.421 0.580 11.492 1.00 0.00 O ATOM 1599 CB ASN A 100 -7.089 -2.241 10.278 1.00 0.00 C ATOM 1600 CG ASN A 100 -8.569 -1.985 10.070 1.00 0.00 C ATOM 1601 OD1 ASN A 100 -9.161 -1.127 10.726 1.00 0.00 O ATOM 1602 ND2 ASN A 100 -9.176 -2.730 9.153 1.00 0.00 N ATOM 0 H ASN A 100 -5.051 -2.617 8.945 1.00 0.00 H new ATOM 0 HA ASN A 100 -6.823 -0.431 9.144 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -6.805 -3.158 9.761 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -6.896 -2.401 11.339 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -10.171 -2.602 8.969 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -8.647 -3.430 8.632 1.00 0.00 H new ATOM 1609 N LYS A 101 -4.466 -0.525 11.361 1.00 0.00 N ATOM 1610 CA LYS A 101 -3.867 0.190 12.484 1.00 0.00 C ATOM 1611 C LYS A 101 -2.694 1.059 12.029 1.00 0.00 C ATOM 1612 O LYS A 101 -2.319 2.012 12.713 1.00 0.00 O ATOM 1613 CB LYS A 101 -3.400 -0.801 13.553 1.00 0.00 C ATOM 1614 CG LYS A 101 -4.340 -0.895 14.745 1.00 0.00 C ATOM 1615 CD LYS A 101 -5.189 -2.156 14.691 1.00 0.00 C ATOM 1616 CE LYS A 101 -4.679 -3.211 15.661 1.00 0.00 C ATOM 1617 NZ LYS A 101 -4.535 -2.674 17.042 1.00 0.00 N ATOM 0 H LYS A 101 -3.858 -1.222 10.931 1.00 0.00 H new ATOM 0 HA LYS A 101 -4.629 0.845 12.908 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.298 -1.788 13.102 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.411 -0.506 13.903 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.760 -0.885 15.668 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -4.989 -0.020 14.767 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -6.224 -1.910 14.930 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -5.182 -2.558 13.678 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -5.366 -4.057 15.671 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -3.716 -3.586 15.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -4.772 -3.417 17.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -3.554 -2.362 17.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -5.178 -1.867 17.169 1.00 0.00 H new ATOM 1631 N LYS A 102 -2.116 0.724 10.880 1.00 0.00 N ATOM 1632 CA LYS A 102 -0.984 1.476 10.350 1.00 0.00 C ATOM 1633 C LYS A 102 -1.421 2.843 9.832 1.00 0.00 C ATOM 1634 O LYS A 102 -1.072 3.875 10.406 1.00 0.00 O ATOM 1635 CB LYS A 102 -0.303 0.689 9.227 1.00 0.00 C ATOM 1636 CG LYS A 102 0.510 -0.495 9.722 1.00 0.00 C ATOM 1637 CD LYS A 102 1.755 -0.043 10.470 1.00 0.00 C ATOM 1638 CE LYS A 102 2.927 -0.979 10.220 1.00 0.00 C ATOM 1639 NZ LYS A 102 3.618 -1.354 11.485 1.00 0.00 N ATOM 0 H LYS A 102 -2.412 -0.061 10.299 1.00 0.00 H new ATOM 0 HA LYS A 102 -0.275 1.629 11.164 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -1.063 0.332 8.532 1.00 0.00 H new ATOM 0 HB3 LYS A 102 0.350 1.360 8.669 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -0.105 -1.112 10.377 1.00 0.00 H new ATOM 0 HG3 LYS A 102 0.799 -1.118 8.876 1.00 0.00 H new ATOM 0 HD2 LYS A 102 2.022 0.967 10.158 1.00 0.00 H new ATOM 0 HD3 LYS A 102 1.543 -0.001 11.538 1.00 0.00 H new ATOM 0 HE2 LYS A 102 2.572 -1.880 9.720 1.00 0.00 H new ATOM 0 HE3 LYS A 102 3.637 -0.499 9.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 4.411 -1.993 11.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 3.979 -0.497 11.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 2.947 -1.835 12.118 1.00 0.00 H new ATOM 1653 N PHE A 103 -2.182 2.846 8.742 1.00 0.00 N ATOM 1654 CA PHE A 103 -2.657 4.091 8.145 1.00 0.00 C ATOM 1655 C PHE A 103 -4.058 4.441 8.636 1.00 0.00 C ATOM 1656 O PHE A 103 -4.357 5.603 8.906 1.00 0.00 O ATOM 1657 CB PHE A 103 -2.650 3.981 6.619 1.00 0.00 C ATOM 1658 CG PHE A 103 -1.282 3.765 6.040 1.00 0.00 C ATOM 1659 CD1 PHE A 103 -0.594 2.586 6.276 1.00 0.00 C ATOM 1660 CD2 PHE A 103 -0.684 4.740 5.259 1.00 0.00 C ATOM 1661 CE1 PHE A 103 0.666 2.383 5.745 1.00 0.00 C ATOM 1662 CE2 PHE A 103 0.576 4.544 4.724 1.00 0.00 C ATOM 1663 CZ PHE A 103 1.252 3.364 4.968 1.00 0.00 C ATOM 0 H PHE A 103 -2.483 2.002 8.254 1.00 0.00 H new ATOM 0 HA PHE A 103 -1.981 4.889 8.451 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -3.297 3.157 6.319 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -3.076 4.891 6.195 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -1.048 1.816 6.882 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -1.208 5.664 5.066 1.00 0.00 H new ATOM 0 HE1 PHE A 103 1.192 1.459 5.937 1.00 0.00 H new ATOM 0 HE2 PHE A 103 1.031 5.312 4.116 1.00 0.00 H new ATOM 0 HZ PHE A 103 2.237 3.209 4.552 1.00 0.00 H new ATOM 1673 N TYR A 104 -4.915 3.431 8.745 1.00 0.00 N ATOM 1674 CA TYR A 104 -6.287 3.637 9.201 1.00 0.00 C ATOM 1675 C TYR A 104 -6.316 4.346 10.552 1.00 0.00 C ATOM 1676 O TYR A 104 -5.859 3.807 11.559 1.00 0.00 O ATOM 1677 CB TYR A 104 -7.023 2.298 9.295 1.00 0.00 C ATOM 1678 CG TYR A 104 -8.180 2.175 8.329 1.00 0.00 C ATOM 1679 CD1 TYR A 104 -9.448 2.627 8.673 1.00 0.00 C ATOM 1680 CD2 TYR A 104 -8.004 1.609 7.073 1.00 0.00 C ATOM 1681 CE1 TYR A 104 -10.508 2.517 7.794 1.00 0.00 C ATOM 1682 CE2 TYR A 104 -9.059 1.496 6.187 1.00 0.00 C ATOM 1683 CZ TYR A 104 -10.308 1.951 6.552 1.00 0.00 C ATOM 1684 OH TYR A 104 -11.361 1.840 5.673 1.00 0.00 O ATOM 0 H TYR A 104 -4.685 2.462 8.524 1.00 0.00 H new ATOM 0 HA TYR A 104 -6.792 4.270 8.472 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -6.316 1.490 9.107 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -7.394 2.167 10.312 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -9.608 3.072 9.644 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -7.027 1.251 6.784 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -11.488 2.872 8.078 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -8.906 1.054 5.214 1.00 0.00 H new ATOM 0 HH TYR A 104 -11.332 0.963 5.237 1.00 0.00 H new