USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 610 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 46 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 48 THR OG1 : rot 88:sc= 0.171 USER MOD Set 1.3: A 49 SER OG : rot 177:sc= -0.346 USER MOD Set 1.4: A 105 GLN : amide:sc= -0.175 K(o=-0.35,f=-2.8) USER MOD Set 2.1: A 65 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 87 MET CE :methyl 175:sc= -2.79! (180deg=-3.08!) USER MOD Single : A 44 ASN :FLIP amide:sc= -2.02 F(o=-4.2,f=-2) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.862 K(o=-0.86,f=-3.3!) USER MOD Single : A 69 TYR OH : rot 171:sc= -0.345 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -157:sc= -1.77 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -165:sc= -0.0128 (180deg=-0.183) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -2.13! X(o=-2.1!,f=-2.2) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 GLN :FLIP amide:sc= -3.12! C(o=-6.6!,f=-3.1!) USER MOD Single : A 108 MET CE :methyl -142:sc= -1.31 (180deg=-4.36!) USER MOD Single : A 110 HIS :FLIP no HD1:sc= -1.37 F(o=-3.2,f=-1.4) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N GLY A 38 -1.395 16.365 -0.898 1.00 0.00 N ATOM 78 CA GLY A 38 -0.932 15.249 -1.701 1.00 0.00 C ATOM 79 C GLY A 38 -0.452 14.086 -0.856 1.00 0.00 C ATOM 80 O GLY A 38 0.511 13.407 -1.211 1.00 0.00 O ATOM 0 HA2 GLY A 38 -1.740 14.913 -2.351 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.121 15.583 -2.348 1.00 0.00 H new ATOM 84 N ARG A 39 -1.125 13.856 0.267 1.00 0.00 N ATOM 85 CA ARG A 39 -0.760 12.768 1.167 1.00 0.00 C ATOM 86 C ARG A 39 -1.879 11.735 1.253 1.00 0.00 C ATOM 87 O ARG A 39 -3.056 12.063 1.094 1.00 0.00 O ATOM 88 CB ARG A 39 -0.448 13.315 2.562 1.00 0.00 C ATOM 89 CG ARG A 39 -0.189 12.232 3.596 1.00 0.00 C ATOM 90 CD ARG A 39 -1.476 11.792 4.276 1.00 0.00 C ATOM 91 NE ARG A 39 -1.760 12.581 5.472 1.00 0.00 N ATOM 92 CZ ARG A 39 -1.178 12.369 6.647 1.00 0.00 C ATOM 93 NH1 ARG A 39 -0.285 11.399 6.784 1.00 0.00 N ATOM 94 NH2 ARG A 39 -1.490 13.130 7.690 1.00 0.00 N ATOM 0 H ARG A 39 -1.925 14.408 0.575 1.00 0.00 H new ATOM 0 HA ARG A 39 0.130 12.282 0.767 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.425 13.964 2.502 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.282 13.933 2.896 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.282 11.374 3.116 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.511 12.602 4.345 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.306 11.884 3.575 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.402 10.739 4.546 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.442 13.336 5.401 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.043 10.812 5.986 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.160 11.239 7.688 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.177 13.877 7.589 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.043 12.967 8.592 1.00 0.00 H new ATOM 108 N LEU A 40 -1.505 10.485 1.503 1.00 0.00 N ATOM 109 CA LEU A 40 -2.477 9.402 1.610 1.00 0.00 C ATOM 110 C LEU A 40 -2.038 8.377 2.650 1.00 0.00 C ATOM 111 O LEU A 40 -0.879 8.355 3.066 1.00 0.00 O ATOM 112 CB LEU A 40 -2.662 8.722 0.252 1.00 0.00 C ATOM 113 CG LEU A 40 -3.133 9.621 -0.891 1.00 0.00 C ATOM 114 CD1 LEU A 40 -3.036 8.889 -2.221 1.00 0.00 C ATOM 115 CD2 LEU A 40 -4.558 10.095 -0.644 1.00 0.00 C ATOM 0 H LEU A 40 -0.536 10.196 1.635 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.428 9.829 1.928 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.714 8.268 -0.037 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.381 7.911 0.369 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.482 10.495 -0.932 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.376 9.545 -3.023 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.001 8.600 -2.403 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.662 7.997 -2.192 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.877 10.734 -1.468 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.221 9.233 -0.576 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.598 10.658 0.288 1.00 0.00 H new ATOM 127 N PHE A 41 -2.971 7.526 3.065 1.00 0.00 N ATOM 128 CA PHE A 41 -2.680 6.497 4.056 1.00 0.00 C ATOM 129 C PHE A 41 -2.879 5.103 3.467 1.00 0.00 C ATOM 130 O PHE A 41 -3.987 4.735 3.075 1.00 0.00 O ATOM 131 CB PHE A 41 -3.574 6.675 5.285 1.00 0.00 C ATOM 132 CG PHE A 41 -3.270 5.707 6.393 1.00 0.00 C ATOM 133 CD1 PHE A 41 -1.999 5.638 6.941 1.00 0.00 C ATOM 134 CD2 PHE A 41 -4.255 4.867 6.886 1.00 0.00 C ATOM 135 CE1 PHE A 41 -1.716 4.748 7.961 1.00 0.00 C ATOM 136 CE2 PHE A 41 -3.978 3.976 7.906 1.00 0.00 C ATOM 137 CZ PHE A 41 -2.707 3.916 8.443 1.00 0.00 C ATOM 0 H PHE A 41 -3.935 7.529 2.730 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.637 6.601 4.355 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -3.463 7.692 5.661 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -4.616 6.558 4.987 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.221 6.287 6.567 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -5.250 4.909 6.469 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.722 4.704 8.380 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.755 3.327 8.283 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.489 3.219 9.239 1.00 0.00 H new ATOM 147 N VAL A 42 -1.798 4.332 3.408 1.00 0.00 N ATOM 148 CA VAL A 42 -1.852 2.979 2.867 1.00 0.00 C ATOM 149 C VAL A 42 -1.424 1.953 3.910 1.00 0.00 C ATOM 150 O VAL A 42 -0.561 2.225 4.745 1.00 0.00 O ATOM 151 CB VAL A 42 -0.955 2.835 1.623 1.00 0.00 C ATOM 152 CG1 VAL A 42 -1.189 1.492 0.948 1.00 0.00 C ATOM 153 CG2 VAL A 42 -1.204 3.980 0.652 1.00 0.00 C ATOM 0 H VAL A 42 -0.874 4.621 3.728 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.888 2.793 2.582 1.00 0.00 H new ATOM 0 HB VAL A 42 0.087 2.878 1.941 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.547 1.409 0.071 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.956 0.688 1.646 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.232 1.416 0.642 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.562 3.863 -0.221 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.248 3.971 0.339 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.980 4.928 1.142 1.00 0.00 H new ATOM 163 N ARG A 43 -2.032 0.773 3.856 1.00 0.00 N ATOM 164 CA ARG A 43 -1.715 -0.294 4.797 1.00 0.00 C ATOM 165 C ARG A 43 -1.875 -1.663 4.141 1.00 0.00 C ATOM 166 O ARG A 43 -2.258 -1.763 2.976 1.00 0.00 O ATOM 167 CB ARG A 43 -2.614 -0.200 6.030 1.00 0.00 C ATOM 168 CG ARG A 43 -4.070 -0.537 5.750 1.00 0.00 C ATOM 169 CD ARG A 43 -4.896 -0.541 7.026 1.00 0.00 C ATOM 170 NE ARG A 43 -6.330 -0.504 6.750 1.00 0.00 N ATOM 171 CZ ARG A 43 -6.947 0.540 6.207 1.00 0.00 C ATOM 172 NH1 ARG A 43 -6.259 1.626 5.883 1.00 0.00 N ATOM 173 NH2 ARG A 43 -8.255 0.498 5.986 1.00 0.00 N ATOM 0 H ARG A 43 -2.747 0.532 3.170 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.676 -0.176 5.104 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.235 -0.875 6.798 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.555 0.810 6.436 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.484 0.188 5.049 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.133 -1.514 5.272 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.662 -1.433 7.607 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.622 0.319 7.638 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.888 -1.324 6.987 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -5.253 1.662 6.050 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -6.735 2.426 5.466 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.787 -0.336 6.233 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.728 1.300 5.569 1.00 0.00 H new ATOM 187 N ASN A 44 -1.577 -2.714 4.897 1.00 0.00 N ATOM 188 CA ASN A 44 -1.686 -4.077 4.389 1.00 0.00 C ATOM 189 C ASN A 44 -0.576 -4.374 3.386 1.00 0.00 C ATOM 190 O ASN A 44 -0.809 -5.007 2.354 1.00 0.00 O ATOM 191 CB ASN A 44 -3.052 -4.291 3.733 1.00 0.00 C ATOM 192 CG ASN A 44 -3.526 -5.727 3.838 1.00 0.00 C ATOM 193 OD1 ASN A 44 -3.152 -6.547 2.862 1.00 0.00 O flip ATOM 194 ND2 ASN A 44 -4.219 -6.096 4.787 1.00 0.00 N flip ATOM 0 H ASN A 44 -1.258 -2.648 5.864 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.583 -4.761 5.231 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.784 -3.634 4.203 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.996 -4.006 2.682 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -4.483 -5.432 5.515 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -4.529 -7.066 4.845 1.00 0.00 H new ATOM 201 N LEU A 45 0.631 -3.915 3.695 1.00 0.00 N ATOM 202 CA LEU A 45 1.780 -4.132 2.821 1.00 0.00 C ATOM 203 C LEU A 45 2.465 -5.456 3.142 1.00 0.00 C ATOM 204 O LEU A 45 2.769 -5.745 4.299 1.00 0.00 O ATOM 205 CB LEU A 45 2.777 -2.981 2.962 1.00 0.00 C ATOM 206 CG LEU A 45 2.531 -1.766 2.066 1.00 0.00 C ATOM 207 CD1 LEU A 45 2.185 -2.207 0.652 1.00 0.00 C ATOM 208 CD2 LEU A 45 1.425 -0.894 2.641 1.00 0.00 C ATOM 0 H LEU A 45 0.841 -3.390 4.544 1.00 0.00 H new ATOM 0 HA LEU A 45 1.422 -4.170 1.792 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.773 -2.649 4.000 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.776 -3.364 2.754 1.00 0.00 H new ATOM 0 HG LEU A 45 3.447 -1.176 2.027 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.013 -1.329 0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.010 -2.789 0.240 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.284 -2.820 0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.264 -0.035 1.990 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.504 -1.473 2.712 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.713 -0.548 3.634 1.00 0.00 H new ATOM 220 N SER A 46 2.708 -6.256 2.108 1.00 0.00 N ATOM 221 CA SER A 46 3.357 -7.551 2.280 1.00 0.00 C ATOM 222 C SER A 46 4.789 -7.379 2.778 1.00 0.00 C ATOM 223 O SER A 46 5.613 -6.740 2.123 1.00 0.00 O ATOM 224 CB SER A 46 3.353 -8.326 0.961 1.00 0.00 C ATOM 225 OG SER A 46 3.313 -9.723 1.191 1.00 0.00 O ATOM 0 H SER A 46 2.465 -6.030 1.143 1.00 0.00 H new ATOM 0 HA SER A 46 2.797 -8.115 3.026 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.492 -8.028 0.363 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.244 -8.074 0.385 1.00 0.00 H new ATOM 0 HG SER A 46 3.309 -10.196 0.333 1.00 0.00 H new ATOM 231 N TYR A 47 5.077 -7.954 3.940 1.00 0.00 N ATOM 232 CA TYR A 47 6.408 -7.864 4.528 1.00 0.00 C ATOM 233 C TYR A 47 7.485 -8.141 3.483 1.00 0.00 C ATOM 234 O TYR A 47 8.485 -7.426 3.399 1.00 0.00 O ATOM 235 CB TYR A 47 6.544 -8.850 5.689 1.00 0.00 C ATOM 236 CG TYR A 47 5.278 -9.006 6.501 1.00 0.00 C ATOM 237 CD1 TYR A 47 4.807 -7.970 7.298 1.00 0.00 C ATOM 238 CD2 TYR A 47 4.552 -10.191 6.470 1.00 0.00 C ATOM 239 CE1 TYR A 47 3.651 -8.110 8.042 1.00 0.00 C ATOM 240 CE2 TYR A 47 3.394 -10.338 7.209 1.00 0.00 C ATOM 241 CZ TYR A 47 2.948 -9.295 7.994 1.00 0.00 C ATOM 242 OH TYR A 47 1.796 -9.438 8.732 1.00 0.00 O ATOM 0 H TYR A 47 4.407 -8.487 4.493 1.00 0.00 H new ATOM 0 HA TYR A 47 6.543 -6.850 4.904 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.836 -9.824 5.296 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.348 -8.517 6.345 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.354 -7.039 7.337 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.899 -11.010 5.858 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.300 -7.295 8.658 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.841 -11.265 7.172 1.00 0.00 H new ATOM 0 HH TYR A 47 1.422 -10.332 8.585 1.00 0.00 H new ATOM 252 N THR A 48 7.274 -9.184 2.687 1.00 0.00 N ATOM 253 CA THR A 48 8.225 -9.557 1.647 1.00 0.00 C ATOM 254 C THR A 48 8.575 -8.363 0.768 1.00 0.00 C ATOM 255 O THR A 48 9.706 -8.235 0.299 1.00 0.00 O ATOM 256 CB THR A 48 7.673 -10.689 0.761 1.00 0.00 C ATOM 257 OG1 THR A 48 6.548 -10.219 0.010 1.00 0.00 O ATOM 258 CG2 THR A 48 7.261 -11.886 1.605 1.00 0.00 C ATOM 0 H THR A 48 6.452 -9.786 2.743 1.00 0.00 H new ATOM 0 HA THR A 48 9.125 -9.908 2.153 1.00 0.00 H new ATOM 0 HB THR A 48 8.462 -11.002 0.077 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.858 -9.822 -0.831 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.874 -12.672 0.957 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.126 -12.260 2.153 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.487 -11.584 2.311 1.00 0.00 H new ATOM 266 N SER A 49 7.597 -7.490 0.547 1.00 0.00 N ATOM 267 CA SER A 49 7.802 -6.306 -0.280 1.00 0.00 C ATOM 268 C SER A 49 8.824 -5.369 0.356 1.00 0.00 C ATOM 269 O SER A 49 8.972 -5.331 1.577 1.00 0.00 O ATOM 270 CB SER A 49 6.478 -5.569 -0.489 1.00 0.00 C ATOM 271 OG SER A 49 5.492 -6.433 -1.026 1.00 0.00 O ATOM 0 H SER A 49 6.655 -7.580 0.929 1.00 0.00 H new ATOM 0 HA SER A 49 8.186 -6.631 -1.247 1.00 0.00 H new ATOM 0 HB2 SER A 49 6.131 -5.162 0.461 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.631 -4.724 -1.161 1.00 0.00 H new ATOM 0 HG SER A 49 4.642 -5.951 -1.104 1.00 0.00 H new ATOM 277 N SER A 50 9.528 -4.615 -0.482 1.00 0.00 N ATOM 278 CA SER A 50 10.540 -3.680 -0.004 1.00 0.00 C ATOM 279 C SER A 50 10.154 -2.243 -0.341 1.00 0.00 C ATOM 280 O SER A 50 9.297 -2.003 -1.190 1.00 0.00 O ATOM 281 CB SER A 50 11.902 -4.012 -0.617 1.00 0.00 C ATOM 282 OG SER A 50 12.433 -5.204 -0.064 1.00 0.00 O ATOM 0 H SER A 50 9.416 -4.633 -1.496 1.00 0.00 H new ATOM 0 HA SER A 50 10.605 -3.776 1.080 1.00 0.00 H new ATOM 0 HB2 SER A 50 11.801 -4.122 -1.697 1.00 0.00 H new ATOM 0 HB3 SER A 50 12.593 -3.187 -0.443 1.00 0.00 H new ATOM 0 HG SER A 50 13.303 -5.395 -0.473 1.00 0.00 H new ATOM 288 N GLU A 51 10.795 -1.292 0.331 1.00 0.00 N ATOM 289 CA GLU A 51 10.518 0.122 0.104 1.00 0.00 C ATOM 290 C GLU A 51 10.624 0.465 -1.379 1.00 0.00 C ATOM 291 O GLU A 51 9.777 1.171 -1.925 1.00 0.00 O ATOM 292 CB GLU A 51 11.487 0.990 0.910 1.00 0.00 C ATOM 293 CG GLU A 51 11.136 2.468 0.894 1.00 0.00 C ATOM 294 CD GLU A 51 11.979 3.278 1.861 1.00 0.00 C ATOM 295 OE1 GLU A 51 13.216 3.298 1.695 1.00 0.00 O ATOM 296 OE2 GLU A 51 11.401 3.890 2.783 1.00 0.00 O ATOM 0 H GLU A 51 11.509 -1.474 1.036 1.00 0.00 H new ATOM 0 HA GLU A 51 9.499 0.324 0.435 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.503 0.640 1.942 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.494 0.860 0.514 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.270 2.859 -0.115 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.083 2.590 1.146 1.00 0.00 H new ATOM 303 N GLU A 52 11.671 -0.040 -2.024 1.00 0.00 N ATOM 304 CA GLU A 52 11.889 0.215 -3.443 1.00 0.00 C ATOM 305 C GLU A 52 10.692 -0.250 -4.269 1.00 0.00 C ATOM 306 O GLU A 52 10.302 0.402 -5.237 1.00 0.00 O ATOM 307 CB GLU A 52 13.158 -0.493 -3.922 1.00 0.00 C ATOM 308 CG GLU A 52 13.491 -0.225 -5.381 1.00 0.00 C ATOM 309 CD GLU A 52 14.529 -1.185 -5.928 1.00 0.00 C ATOM 310 OE1 GLU A 52 14.351 -2.410 -5.762 1.00 0.00 O ATOM 311 OE2 GLU A 52 15.519 -0.711 -6.523 1.00 0.00 O ATOM 0 H GLU A 52 12.381 -0.628 -1.587 1.00 0.00 H new ATOM 0 HA GLU A 52 12.008 1.290 -3.579 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.997 -0.176 -3.302 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.042 -1.567 -3.776 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.582 -0.301 -5.977 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.856 0.797 -5.485 1.00 0.00 H new ATOM 318 N ASP A 53 10.116 -1.381 -3.879 1.00 0.00 N ATOM 319 CA ASP A 53 8.964 -1.934 -4.582 1.00 0.00 C ATOM 320 C ASP A 53 7.794 -0.954 -4.563 1.00 0.00 C ATOM 321 O ASP A 53 7.108 -0.772 -5.569 1.00 0.00 O ATOM 322 CB ASP A 53 8.543 -3.262 -3.950 1.00 0.00 C ATOM 323 CG ASP A 53 9.593 -4.342 -4.118 1.00 0.00 C ATOM 324 OD1 ASP A 53 10.394 -4.247 -5.071 1.00 0.00 O ATOM 325 OD2 ASP A 53 9.614 -5.283 -3.297 1.00 0.00 O ATOM 0 H ASP A 53 10.428 -1.933 -3.080 1.00 0.00 H new ATOM 0 HA ASP A 53 9.252 -2.109 -5.619 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.349 -3.110 -2.888 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.608 -3.595 -4.401 1.00 0.00 H new ATOM 330 N LEU A 54 7.573 -0.328 -3.413 1.00 0.00 N ATOM 331 CA LEU A 54 6.486 0.633 -3.263 1.00 0.00 C ATOM 332 C LEU A 54 6.711 1.854 -4.150 1.00 0.00 C ATOM 333 O LEU A 54 5.847 2.223 -4.944 1.00 0.00 O ATOM 334 CB LEU A 54 6.361 1.067 -1.801 1.00 0.00 C ATOM 335 CG LEU A 54 5.937 -0.020 -0.813 1.00 0.00 C ATOM 336 CD1 LEU A 54 6.196 0.429 0.617 1.00 0.00 C ATOM 337 CD2 LEU A 54 4.470 -0.374 -1.005 1.00 0.00 C ATOM 0 H LEU A 54 8.131 -0.468 -2.571 1.00 0.00 H new ATOM 0 HA LEU A 54 5.560 0.148 -3.573 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.322 1.469 -1.479 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.640 1.882 -1.745 1.00 0.00 H new ATOM 0 HG LEU A 54 6.533 -0.912 -1.006 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.888 -0.357 1.307 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.259 0.631 0.748 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.627 1.335 0.823 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.187 -1.149 -0.293 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.857 0.512 -0.840 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.314 -0.739 -2.020 1.00 0.00 H new ATOM 349 N GLU A 55 7.878 2.474 -4.009 1.00 0.00 N ATOM 350 CA GLU A 55 8.217 3.652 -4.799 1.00 0.00 C ATOM 351 C GLU A 55 7.708 3.512 -6.230 1.00 0.00 C ATOM 352 O GLU A 55 6.956 4.355 -6.720 1.00 0.00 O ATOM 353 CB GLU A 55 9.731 3.872 -4.804 1.00 0.00 C ATOM 354 CG GLU A 55 10.272 4.415 -3.491 1.00 0.00 C ATOM 355 CD GLU A 55 11.734 4.806 -3.580 1.00 0.00 C ATOM 356 OE1 GLU A 55 12.089 5.566 -4.505 1.00 0.00 O ATOM 357 OE2 GLU A 55 12.523 4.352 -2.725 1.00 0.00 O ATOM 0 H GLU A 55 8.604 2.181 -3.356 1.00 0.00 H new ATOM 0 HA GLU A 55 7.733 4.515 -4.342 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.226 2.927 -5.028 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.986 4.564 -5.606 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.685 5.283 -3.192 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.148 3.663 -2.712 1.00 0.00 H new ATOM 364 N LYS A 56 8.123 2.440 -6.898 1.00 0.00 N ATOM 365 CA LYS A 56 7.710 2.187 -8.273 1.00 0.00 C ATOM 366 C LYS A 56 6.193 2.068 -8.372 1.00 0.00 C ATOM 367 O LYS A 56 5.553 2.784 -9.143 1.00 0.00 O ATOM 368 CB LYS A 56 8.368 0.909 -8.797 1.00 0.00 C ATOM 369 CG LYS A 56 9.864 1.043 -9.024 1.00 0.00 C ATOM 370 CD LYS A 56 10.484 -0.277 -9.450 1.00 0.00 C ATOM 371 CE LYS A 56 10.547 -1.262 -8.293 1.00 0.00 C ATOM 372 NZ LYS A 56 10.971 -2.618 -8.742 1.00 0.00 N ATOM 0 H LYS A 56 8.746 1.732 -6.508 1.00 0.00 H new ATOM 0 HA LYS A 56 8.031 3.031 -8.884 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.188 0.101 -8.088 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.891 0.623 -9.734 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.051 1.797 -9.788 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.342 1.392 -8.109 1.00 0.00 H new ATOM 0 HD2 LYS A 56 9.902 -0.708 -10.265 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.489 -0.101 -9.835 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.244 -0.894 -7.540 1.00 0.00 H new ATOM 0 HE3 LYS A 56 9.569 -1.326 -7.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 11.002 -3.260 -7.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 10.292 -2.980 -9.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 11.916 -2.561 -9.173 1.00 0.00 H new ATOM 386 N LEU A 57 5.622 1.161 -7.586 1.00 0.00 N ATOM 387 CA LEU A 57 4.179 0.950 -7.585 1.00 0.00 C ATOM 388 C LEU A 57 3.434 2.278 -7.664 1.00 0.00 C ATOM 389 O LEU A 57 2.779 2.575 -8.664 1.00 0.00 O ATOM 390 CB LEU A 57 3.757 0.190 -6.326 1.00 0.00 C ATOM 391 CG LEU A 57 2.273 0.262 -5.964 1.00 0.00 C ATOM 392 CD1 LEU A 57 1.447 -0.573 -6.930 1.00 0.00 C ATOM 393 CD2 LEU A 57 2.050 -0.200 -4.532 1.00 0.00 C ATOM 0 H LEU A 57 6.136 0.560 -6.942 1.00 0.00 H new ATOM 0 HA LEU A 57 3.922 0.358 -8.464 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.030 -0.858 -6.450 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.335 0.572 -5.484 1.00 0.00 H new ATOM 0 HG LEU A 57 1.949 1.300 -6.044 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.394 -0.510 -6.657 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.582 -0.196 -7.944 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.772 -1.612 -6.883 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.988 -0.142 -4.292 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.390 -1.230 -4.425 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.611 0.440 -3.852 1.00 0.00 H new ATOM 405 N PHE A 58 3.540 3.075 -6.606 1.00 0.00 N ATOM 406 CA PHE A 58 2.877 4.373 -6.557 1.00 0.00 C ATOM 407 C PHE A 58 3.414 5.299 -7.644 1.00 0.00 C ATOM 408 O PHE A 58 2.651 5.845 -8.442 1.00 0.00 O ATOM 409 CB PHE A 58 3.071 5.016 -5.182 1.00 0.00 C ATOM 410 CG PHE A 58 2.380 4.277 -4.072 1.00 0.00 C ATOM 411 CD1 PHE A 58 0.999 4.305 -3.957 1.00 0.00 C ATOM 412 CD2 PHE A 58 3.111 3.553 -3.143 1.00 0.00 C ATOM 413 CE1 PHE A 58 0.361 3.627 -2.936 1.00 0.00 C ATOM 414 CE2 PHE A 58 2.478 2.872 -2.120 1.00 0.00 C ATOM 415 CZ PHE A 58 1.101 2.909 -2.017 1.00 0.00 C ATOM 0 H PHE A 58 4.079 2.845 -5.771 1.00 0.00 H new ATOM 0 HA PHE A 58 1.812 4.217 -6.731 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.137 5.071 -4.963 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.699 6.040 -5.213 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.415 4.863 -4.674 1.00 0.00 H new ATOM 0 HD2 PHE A 58 4.188 3.521 -3.219 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.716 3.658 -2.857 1.00 0.00 H new ATOM 0 HE2 PHE A 58 3.059 2.312 -1.402 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.604 2.377 -1.219 1.00 0.00 H new ATOM 425 N SER A 59 4.732 5.472 -7.668 1.00 0.00 N ATOM 426 CA SER A 59 5.371 6.336 -8.654 1.00 0.00 C ATOM 427 C SER A 59 4.651 6.254 -9.997 1.00 0.00 C ATOM 428 O SER A 59 4.406 7.270 -10.645 1.00 0.00 O ATOM 429 CB SER A 59 6.841 5.948 -8.826 1.00 0.00 C ATOM 430 OG SER A 59 7.378 6.499 -10.017 1.00 0.00 O ATOM 0 H SER A 59 5.378 5.026 -7.016 1.00 0.00 H new ATOM 0 HA SER A 59 5.313 7.363 -8.293 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.416 6.298 -7.968 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.933 4.862 -8.850 1.00 0.00 H new ATOM 0 HG SER A 59 8.319 6.238 -10.103 1.00 0.00 H new ATOM 436 N ALA A 60 4.315 5.035 -10.407 1.00 0.00 N ATOM 437 CA ALA A 60 3.622 4.819 -11.671 1.00 0.00 C ATOM 438 C ALA A 60 2.507 5.840 -11.867 1.00 0.00 C ATOM 439 O ALA A 60 2.435 6.505 -12.901 1.00 0.00 O ATOM 440 CB ALA A 60 3.062 3.405 -11.731 1.00 0.00 C ATOM 0 H ALA A 60 4.511 4.183 -9.882 1.00 0.00 H new ATOM 0 HA ALA A 60 4.343 4.947 -12.479 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.547 3.258 -12.680 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.877 2.687 -11.645 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.360 3.257 -10.911 1.00 0.00 H new ATOM 446 N TYR A 61 1.638 5.959 -10.869 1.00 0.00 N ATOM 447 CA TYR A 61 0.524 6.898 -10.934 1.00 0.00 C ATOM 448 C TYR A 61 1.026 8.329 -11.103 1.00 0.00 C ATOM 449 O TYR A 61 0.501 9.091 -11.914 1.00 0.00 O ATOM 450 CB TYR A 61 -0.333 6.793 -9.671 1.00 0.00 C ATOM 451 CG TYR A 61 -1.157 5.527 -9.603 1.00 0.00 C ATOM 452 CD1 TYR A 61 -2.438 5.479 -10.141 1.00 0.00 C ATOM 453 CD2 TYR A 61 -0.657 4.380 -9.001 1.00 0.00 C ATOM 454 CE1 TYR A 61 -3.195 4.325 -10.080 1.00 0.00 C ATOM 455 CE2 TYR A 61 -1.406 3.221 -8.937 1.00 0.00 C ATOM 456 CZ TYR A 61 -2.675 3.199 -9.478 1.00 0.00 C ATOM 457 OH TYR A 61 -3.425 2.047 -9.415 1.00 0.00 O ATOM 0 H TYR A 61 1.683 5.417 -10.006 1.00 0.00 H new ATOM 0 HA TYR A 61 -0.084 6.641 -11.801 1.00 0.00 H new ATOM 0 HB2 TYR A 61 0.316 6.842 -8.797 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -1.000 7.654 -9.622 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.848 6.359 -10.615 1.00 0.00 H new ATOM 0 HD2 TYR A 61 0.335 4.394 -8.575 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -4.189 4.305 -10.502 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -1.001 2.337 -8.466 1.00 0.00 H new ATOM 0 HH TYR A 61 -2.912 1.347 -8.960 1.00 0.00 H new ATOM 467 N GLY A 62 2.048 8.686 -10.331 1.00 0.00 N ATOM 468 CA GLY A 62 2.606 10.023 -10.410 1.00 0.00 C ATOM 469 C GLY A 62 3.881 10.168 -9.603 1.00 0.00 C ATOM 470 O GLY A 62 4.371 9.213 -9.000 1.00 0.00 O ATOM 0 H GLY A 62 2.499 8.073 -9.652 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.810 10.267 -11.453 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.869 10.742 -10.052 1.00 0.00 H new ATOM 474 N PRO A 63 4.439 11.388 -9.586 1.00 0.00 N ATOM 475 CA PRO A 63 5.673 11.683 -8.851 1.00 0.00 C ATOM 476 C PRO A 63 5.471 11.647 -7.340 1.00 0.00 C ATOM 477 O PRO A 63 4.477 12.160 -6.824 1.00 0.00 O ATOM 478 CB PRO A 63 6.028 13.100 -9.310 1.00 0.00 C ATOM 479 CG PRO A 63 4.729 13.701 -9.722 1.00 0.00 C ATOM 480 CD PRO A 63 3.909 12.572 -10.282 1.00 0.00 C ATOM 0 HA PRO A 63 6.452 10.947 -9.050 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.492 13.672 -8.506 1.00 0.00 H new ATOM 0 HB3 PRO A 63 6.736 13.082 -10.138 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.227 14.164 -8.873 1.00 0.00 H new ATOM 0 HG3 PRO A 63 4.879 14.481 -10.468 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.846 12.711 -10.085 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.025 12.488 -11.363 1.00 0.00 H new ATOM 488 N LEU A 64 6.418 11.038 -6.636 1.00 0.00 N ATOM 489 CA LEU A 64 6.344 10.936 -5.183 1.00 0.00 C ATOM 490 C LEU A 64 7.168 12.034 -4.517 1.00 0.00 C ATOM 491 O LEU A 64 8.341 12.225 -4.837 1.00 0.00 O ATOM 492 CB LEU A 64 6.838 9.563 -4.723 1.00 0.00 C ATOM 493 CG LEU A 64 6.078 8.357 -5.276 1.00 0.00 C ATOM 494 CD1 LEU A 64 6.761 7.061 -4.866 1.00 0.00 C ATOM 495 CD2 LEU A 64 4.632 8.373 -4.802 1.00 0.00 C ATOM 0 H LEU A 64 7.246 10.607 -7.047 1.00 0.00 H new ATOM 0 HA LEU A 64 5.302 11.059 -4.888 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.887 9.465 -5.001 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.792 9.528 -3.635 1.00 0.00 H new ATOM 0 HG LEU A 64 6.083 8.418 -6.364 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.206 6.214 -5.269 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.779 7.047 -5.257 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.789 6.993 -3.779 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.107 7.507 -5.206 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.606 8.338 -3.713 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.146 9.285 -5.147 1.00 0.00 H new ATOM 507 N SER A 65 6.546 12.751 -3.586 1.00 0.00 N ATOM 508 CA SER A 65 7.220 13.831 -2.876 1.00 0.00 C ATOM 509 C SER A 65 8.065 13.283 -1.729 1.00 0.00 C ATOM 510 O SER A 65 9.198 13.714 -1.519 1.00 0.00 O ATOM 511 CB SER A 65 6.197 14.833 -2.337 1.00 0.00 C ATOM 512 OG SER A 65 6.831 15.858 -1.592 1.00 0.00 O ATOM 0 H SER A 65 5.576 12.603 -3.306 1.00 0.00 H new ATOM 0 HA SER A 65 7.879 14.339 -3.580 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.642 15.272 -3.166 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.473 14.316 -1.707 1.00 0.00 H new ATOM 0 HG SER A 65 6.156 16.486 -1.260 1.00 0.00 H new ATOM 518 N GLU A 66 7.503 12.330 -0.992 1.00 0.00 N ATOM 519 CA GLU A 66 8.204 11.723 0.134 1.00 0.00 C ATOM 520 C GLU A 66 7.664 10.325 0.421 1.00 0.00 C ATOM 521 O GLU A 66 6.520 10.009 0.091 1.00 0.00 O ATOM 522 CB GLU A 66 8.067 12.600 1.380 1.00 0.00 C ATOM 523 CG GLU A 66 8.664 11.977 2.631 1.00 0.00 C ATOM 524 CD GLU A 66 10.178 11.907 2.582 1.00 0.00 C ATOM 525 OE1 GLU A 66 10.717 11.384 1.585 1.00 0.00 O ATOM 526 OE2 GLU A 66 10.824 12.377 3.543 1.00 0.00 O ATOM 0 H GLU A 66 6.566 11.962 -1.154 1.00 0.00 H new ATOM 0 HA GLU A 66 9.258 11.639 -0.129 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.552 13.558 1.195 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.011 12.806 1.555 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.359 12.557 3.502 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.261 10.972 2.760 1.00 0.00 H new ATOM 533 N LEU A 67 8.495 9.491 1.036 1.00 0.00 N ATOM 534 CA LEU A 67 8.103 8.126 1.368 1.00 0.00 C ATOM 535 C LEU A 67 8.543 7.762 2.782 1.00 0.00 C ATOM 536 O LEU A 67 9.603 8.187 3.243 1.00 0.00 O ATOM 537 CB LEU A 67 8.709 7.143 0.364 1.00 0.00 C ATOM 538 CG LEU A 67 8.218 5.698 0.461 1.00 0.00 C ATOM 539 CD1 LEU A 67 6.813 5.572 -0.107 1.00 0.00 C ATOM 540 CD2 LEU A 67 9.174 4.760 -0.262 1.00 0.00 C ATOM 0 H LEU A 67 9.445 9.736 1.315 1.00 0.00 H new ATOM 0 HA LEU A 67 7.016 8.063 1.318 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.503 7.509 -0.642 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.792 7.147 0.490 1.00 0.00 H new ATOM 0 HG LEU A 67 8.189 5.414 1.513 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.481 4.537 -0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.135 6.214 0.455 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.815 5.875 -1.154 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.809 3.736 -0.183 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.236 5.043 -1.313 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.163 4.829 0.191 1.00 0.00 H new ATOM 552 N HIS A 68 7.722 6.970 3.466 1.00 0.00 N ATOM 553 CA HIS A 68 8.027 6.546 4.827 1.00 0.00 C ATOM 554 C HIS A 68 7.676 5.075 5.030 1.00 0.00 C ATOM 555 O HIS A 68 6.502 4.709 5.089 1.00 0.00 O ATOM 556 CB HIS A 68 7.266 7.407 5.835 1.00 0.00 C ATOM 557 CG HIS A 68 7.725 7.222 7.249 1.00 0.00 C ATOM 558 ND1 HIS A 68 8.320 6.063 7.701 1.00 0.00 N ATOM 559 CD2 HIS A 68 7.674 8.057 8.313 1.00 0.00 C ATOM 560 CE1 HIS A 68 8.614 6.192 8.982 1.00 0.00 C ATOM 561 NE2 HIS A 68 8.233 7.394 9.378 1.00 0.00 N ATOM 0 H HIS A 68 6.841 6.610 3.099 1.00 0.00 H new ATOM 0 HA HIS A 68 9.098 6.672 4.988 1.00 0.00 H new ATOM 0 HB2 HIS A 68 7.376 8.456 5.560 1.00 0.00 H new ATOM 0 HB3 HIS A 68 6.204 7.171 5.773 1.00 0.00 H new ATOM 0 HD2 HIS A 68 7.269 9.058 8.323 1.00 0.00 H new ATOM 0 HE1 HIS A 68 9.086 5.443 9.601 1.00 0.00 H new ATOM 0 HE2 HIS A 68 8.337 7.768 10.321 1.00 0.00 H new ATOM 570 N TYR A 69 8.701 4.236 5.134 1.00 0.00 N ATOM 571 CA TYR A 69 8.500 2.805 5.326 1.00 0.00 C ATOM 572 C TYR A 69 9.257 2.309 6.555 1.00 0.00 C ATOM 573 O TYR A 69 10.436 1.960 6.490 1.00 0.00 O ATOM 574 CB TYR A 69 8.956 2.034 4.087 1.00 0.00 C ATOM 575 CG TYR A 69 8.251 0.708 3.905 1.00 0.00 C ATOM 576 CD1 TYR A 69 6.872 0.610 4.036 1.00 0.00 C ATOM 577 CD2 TYR A 69 8.965 -0.445 3.603 1.00 0.00 C ATOM 578 CE1 TYR A 69 6.223 -0.599 3.871 1.00 0.00 C ATOM 579 CE2 TYR A 69 8.325 -1.657 3.435 1.00 0.00 C ATOM 580 CZ TYR A 69 6.954 -1.730 3.570 1.00 0.00 C ATOM 581 OH TYR A 69 6.313 -2.936 3.405 1.00 0.00 O ATOM 0 H TYR A 69 9.679 4.522 5.089 1.00 0.00 H new ATOM 0 HA TYR A 69 7.435 2.631 5.482 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.787 2.650 3.204 1.00 0.00 H new ATOM 0 HB3 TYR A 69 10.030 1.859 4.153 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.297 1.494 4.271 1.00 0.00 H new ATOM 0 HD2 TYR A 69 10.039 -0.392 3.498 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.150 -0.658 3.977 1.00 0.00 H new ATOM 0 HE2 TYR A 69 8.895 -2.543 3.199 1.00 0.00 H new ATOM 0 HH TYR A 69 6.946 -3.598 3.058 1.00 0.00 H new ATOM 591 N PRO A 70 8.564 2.276 7.702 1.00 0.00 N ATOM 592 CA PRO A 70 9.149 1.824 8.968 1.00 0.00 C ATOM 593 C PRO A 70 9.423 0.324 8.977 1.00 0.00 C ATOM 594 O PRO A 70 8.662 -0.459 8.407 1.00 0.00 O ATOM 595 CB PRO A 70 8.076 2.177 10.001 1.00 0.00 C ATOM 596 CG PRO A 70 6.801 2.195 9.232 1.00 0.00 C ATOM 597 CD PRO A 70 7.155 2.678 7.853 1.00 0.00 C ATOM 0 HA PRO A 70 10.115 2.291 9.160 1.00 0.00 H new ATOM 0 HB2 PRO A 70 8.043 1.441 10.805 1.00 0.00 H new ATOM 0 HB3 PRO A 70 8.274 3.145 10.462 1.00 0.00 H new ATOM 0 HG2 PRO A 70 6.354 1.202 9.195 1.00 0.00 H new ATOM 0 HG3 PRO A 70 6.072 2.855 9.701 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.523 2.220 7.092 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.033 3.757 7.762 1.00 0.00 H new ATOM 605 N ILE A 71 10.513 -0.070 9.626 1.00 0.00 N ATOM 606 CA ILE A 71 10.885 -1.477 9.710 1.00 0.00 C ATOM 607 C ILE A 71 11.396 -1.829 11.103 1.00 0.00 C ATOM 608 O ILE A 71 12.288 -1.167 11.634 1.00 0.00 O ATOM 609 CB ILE A 71 11.966 -1.836 8.673 1.00 0.00 C ATOM 610 CG1 ILE A 71 11.565 -1.326 7.287 1.00 0.00 C ATOM 611 CG2 ILE A 71 12.195 -3.340 8.645 1.00 0.00 C ATOM 612 CD1 ILE A 71 10.610 -2.246 6.559 1.00 0.00 C ATOM 0 H ILE A 71 11.154 0.565 10.101 1.00 0.00 H new ATOM 0 HA ILE A 71 9.985 -2.054 9.500 1.00 0.00 H new ATOM 0 HB ILE A 71 12.899 -1.352 8.961 1.00 0.00 H new ATOM 0 HG12 ILE A 71 11.104 -0.344 7.389 1.00 0.00 H new ATOM 0 HG13 ILE A 71 12.463 -1.195 6.683 1.00 0.00 H new ATOM 0 HG21 ILE A 71 12.962 -3.578 7.907 1.00 0.00 H new ATOM 0 HG22 ILE A 71 12.521 -3.677 9.629 1.00 0.00 H new ATOM 0 HG23 ILE A 71 11.266 -3.845 8.379 1.00 0.00 H new ATOM 0 HD11 ILE A 71 10.369 -1.822 5.584 1.00 0.00 H new ATOM 0 HD12 ILE A 71 11.076 -3.222 6.425 1.00 0.00 H new ATOM 0 HD13 ILE A 71 9.696 -2.357 7.143 1.00 0.00 H new ATOM 624 N ASP A 72 10.825 -2.876 11.689 1.00 0.00 N ATOM 625 CA ASP A 72 11.224 -3.319 13.020 1.00 0.00 C ATOM 626 C ASP A 72 12.728 -3.569 13.081 1.00 0.00 C ATOM 627 O ASP A 72 13.319 -4.091 12.136 1.00 0.00 O ATOM 628 CB ASP A 72 10.466 -4.590 13.406 1.00 0.00 C ATOM 629 CG ASP A 72 9.082 -4.296 13.950 1.00 0.00 C ATOM 630 OD1 ASP A 72 8.985 -3.816 15.099 1.00 0.00 O ATOM 631 OD2 ASP A 72 8.095 -4.546 13.227 1.00 0.00 O ATOM 0 H ASP A 72 10.085 -3.434 11.263 1.00 0.00 H new ATOM 0 HA ASP A 72 10.977 -2.529 13.729 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.380 -5.238 12.533 1.00 0.00 H new ATOM 0 HB3 ASP A 72 11.039 -5.138 14.154 1.00 0.00 H new ATOM 636 N SER A 73 13.340 -3.193 14.199 1.00 0.00 N ATOM 637 CA SER A 73 14.776 -3.373 14.382 1.00 0.00 C ATOM 638 C SER A 73 15.088 -4.781 14.878 1.00 0.00 C ATOM 639 O SER A 73 16.246 -5.201 14.902 1.00 0.00 O ATOM 640 CB SER A 73 15.319 -2.339 15.371 1.00 0.00 C ATOM 641 OG SER A 73 14.971 -1.024 14.975 1.00 0.00 O ATOM 0 H SER A 73 12.864 -2.762 14.992 1.00 0.00 H new ATOM 0 HA SER A 73 15.261 -3.231 13.416 1.00 0.00 H new ATOM 0 HB2 SER A 73 14.922 -2.540 16.366 1.00 0.00 H new ATOM 0 HB3 SER A 73 16.403 -2.428 15.436 1.00 0.00 H new ATOM 0 HG SER A 73 15.328 -0.382 15.624 1.00 0.00 H new ATOM 647 N LEU A 74 14.048 -5.507 15.274 1.00 0.00 N ATOM 648 CA LEU A 74 14.209 -6.869 15.770 1.00 0.00 C ATOM 649 C LEU A 74 13.838 -7.887 14.697 1.00 0.00 C ATOM 650 O LEU A 74 14.628 -8.770 14.362 1.00 0.00 O ATOM 651 CB LEU A 74 13.347 -7.085 17.015 1.00 0.00 C ATOM 652 CG LEU A 74 13.611 -6.139 18.187 1.00 0.00 C ATOM 653 CD1 LEU A 74 12.542 -6.303 19.256 1.00 0.00 C ATOM 654 CD2 LEU A 74 14.994 -6.386 18.770 1.00 0.00 C ATOM 0 H LEU A 74 13.084 -5.175 15.261 1.00 0.00 H new ATOM 0 HA LEU A 74 15.257 -7.012 16.033 1.00 0.00 H new ATOM 0 HB2 LEU A 74 12.300 -6.992 16.728 1.00 0.00 H new ATOM 0 HB3 LEU A 74 13.493 -8.108 17.360 1.00 0.00 H new ATOM 0 HG LEU A 74 13.572 -5.114 17.818 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.746 -5.622 20.082 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.564 -6.075 18.831 1.00 0.00 H new ATOM 0 HD13 LEU A 74 12.548 -7.330 19.622 1.00 0.00 H new ATOM 0 HD21 LEU A 74 15.165 -5.704 19.603 1.00 0.00 H new ATOM 0 HD22 LEU A 74 15.061 -7.415 19.124 1.00 0.00 H new ATOM 0 HD23 LEU A 74 15.748 -6.216 18.002 1.00 0.00 H new ATOM 666 N THR A 75 12.629 -7.757 14.158 1.00 0.00 N ATOM 667 CA THR A 75 12.153 -8.665 13.122 1.00 0.00 C ATOM 668 C THR A 75 12.703 -8.275 11.755 1.00 0.00 C ATOM 669 O THR A 75 12.795 -9.106 10.851 1.00 0.00 O ATOM 670 CB THR A 75 10.614 -8.685 13.057 1.00 0.00 C ATOM 671 OG1 THR A 75 10.132 -7.471 12.470 1.00 0.00 O ATOM 672 CG2 THR A 75 10.016 -8.855 14.446 1.00 0.00 C ATOM 0 H THR A 75 11.962 -7.032 14.422 1.00 0.00 H new ATOM 0 HA THR A 75 12.511 -9.660 13.384 1.00 0.00 H new ATOM 0 HB THR A 75 10.310 -9.531 12.441 1.00 0.00 H new ATOM 0 HG1 THR A 75 9.206 -7.317 12.750 1.00 0.00 H new ATOM 0 HG21 THR A 75 8.928 -8.866 14.375 1.00 0.00 H new ATOM 0 HG22 THR A 75 10.361 -9.794 14.878 1.00 0.00 H new ATOM 0 HG23 THR A 75 10.330 -8.026 15.081 1.00 0.00 H new ATOM 680 N LYS A 76 13.067 -7.006 11.609 1.00 0.00 N ATOM 681 CA LYS A 76 13.611 -6.505 10.352 1.00 0.00 C ATOM 682 C LYS A 76 12.540 -6.488 9.265 1.00 0.00 C ATOM 683 O LYS A 76 12.839 -6.648 8.081 1.00 0.00 O ATOM 684 CB LYS A 76 14.793 -7.368 9.904 1.00 0.00 C ATOM 685 CG LYS A 76 15.826 -7.597 10.993 1.00 0.00 C ATOM 686 CD LYS A 76 16.858 -6.482 11.026 1.00 0.00 C ATOM 687 CE LYS A 76 17.996 -6.804 11.982 1.00 0.00 C ATOM 688 NZ LYS A 76 18.659 -5.571 12.491 1.00 0.00 N ATOM 0 H LYS A 76 12.995 -6.305 12.346 1.00 0.00 H new ATOM 0 HA LYS A 76 13.956 -5.484 10.515 1.00 0.00 H new ATOM 0 HB2 LYS A 76 14.418 -8.333 9.562 1.00 0.00 H new ATOM 0 HB3 LYS A 76 15.276 -6.892 9.051 1.00 0.00 H new ATOM 0 HG2 LYS A 76 15.328 -7.662 11.960 1.00 0.00 H new ATOM 0 HG3 LYS A 76 16.325 -8.552 10.827 1.00 0.00 H new ATOM 0 HD2 LYS A 76 17.257 -6.324 10.024 1.00 0.00 H new ATOM 0 HD3 LYS A 76 16.379 -5.551 11.329 1.00 0.00 H new ATOM 0 HE2 LYS A 76 17.612 -7.383 12.822 1.00 0.00 H new ATOM 0 HE3 LYS A 76 18.731 -7.428 11.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 19.429 -5.833 13.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 19.048 -5.031 11.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 17.964 -4.987 12.998 1.00 0.00 H new ATOM 702 N LYS A 77 11.292 -6.290 9.674 1.00 0.00 N ATOM 703 CA LYS A 77 10.176 -6.248 8.736 1.00 0.00 C ATOM 704 C LYS A 77 9.187 -5.151 9.116 1.00 0.00 C ATOM 705 O LYS A 77 9.071 -4.762 10.278 1.00 0.00 O ATOM 706 CB LYS A 77 9.464 -7.602 8.698 1.00 0.00 C ATOM 707 CG LYS A 77 8.329 -7.720 9.701 1.00 0.00 C ATOM 708 CD LYS A 77 7.569 -9.025 9.532 1.00 0.00 C ATOM 709 CE LYS A 77 8.298 -10.184 10.194 1.00 0.00 C ATOM 710 NZ LYS A 77 7.900 -11.495 9.612 1.00 0.00 N ATOM 0 H LYS A 77 11.027 -6.156 10.650 1.00 0.00 H new ATOM 0 HA LYS A 77 10.574 -6.026 7.746 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.070 -7.768 7.695 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.191 -8.391 8.890 1.00 0.00 H new ATOM 0 HG2 LYS A 77 8.729 -7.659 10.713 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.645 -6.881 9.578 1.00 0.00 H new ATOM 0 HD2 LYS A 77 6.573 -8.926 9.964 1.00 0.00 H new ATOM 0 HD3 LYS A 77 7.437 -9.235 8.471 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.374 -10.048 10.081 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.087 -10.182 11.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 8.419 -12.259 10.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 6.878 -11.637 9.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.125 -11.507 8.597 1.00 0.00 H new ATOM 724 N PRO A 78 8.455 -4.640 8.115 1.00 0.00 N ATOM 725 CA PRO A 78 7.461 -3.583 8.321 1.00 0.00 C ATOM 726 C PRO A 78 6.241 -4.076 9.092 1.00 0.00 C ATOM 727 O PRO A 78 5.947 -5.271 9.111 1.00 0.00 O ATOM 728 CB PRO A 78 7.067 -3.184 6.896 1.00 0.00 C ATOM 729 CG PRO A 78 7.348 -4.393 6.073 1.00 0.00 C ATOM 730 CD PRO A 78 8.541 -5.056 6.705 1.00 0.00 C ATOM 0 HA PRO A 78 7.859 -2.760 8.915 1.00 0.00 H new ATOM 0 HB2 PRO A 78 6.015 -2.903 6.840 1.00 0.00 H new ATOM 0 HB3 PRO A 78 7.645 -2.327 6.551 1.00 0.00 H new ATOM 0 HG2 PRO A 78 6.490 -5.065 6.060 1.00 0.00 H new ATOM 0 HG3 PRO A 78 7.555 -4.121 5.038 1.00 0.00 H new ATOM 0 HD2 PRO A 78 8.499 -6.140 6.603 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.473 -4.728 6.245 1.00 0.00 H new ATOM 738 N LYS A 79 5.533 -3.147 9.726 1.00 0.00 N ATOM 739 CA LYS A 79 4.343 -3.486 10.498 1.00 0.00 C ATOM 740 C LYS A 79 3.117 -3.577 9.596 1.00 0.00 C ATOM 741 O LYS A 79 2.038 -3.969 10.037 1.00 0.00 O ATOM 742 CB LYS A 79 4.107 -2.444 11.594 1.00 0.00 C ATOM 743 CG LYS A 79 5.218 -2.388 12.629 1.00 0.00 C ATOM 744 CD LYS A 79 6.309 -1.411 12.222 1.00 0.00 C ATOM 745 CE LYS A 79 7.197 -1.045 13.402 1.00 0.00 C ATOM 746 NZ LYS A 79 6.492 -0.165 14.375 1.00 0.00 N ATOM 0 H LYS A 79 5.763 -2.153 9.720 1.00 0.00 H new ATOM 0 HA LYS A 79 4.505 -4.460 10.960 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.001 -1.462 11.133 1.00 0.00 H new ATOM 0 HB3 LYS A 79 3.165 -2.664 12.096 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.804 -2.092 13.593 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.647 -3.382 12.758 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.916 -1.851 11.431 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.856 -0.508 11.812 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.524 -1.954 13.906 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.093 -0.541 13.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 7.185 0.266 15.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 5.985 0.584 13.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.813 -0.729 14.924 1.00 0.00 H new ATOM 760 N GLY A 80 3.292 -3.213 8.329 1.00 0.00 N ATOM 761 CA GLY A 80 2.191 -3.262 7.384 1.00 0.00 C ATOM 762 C GLY A 80 1.509 -1.919 7.219 1.00 0.00 C ATOM 763 O GLY A 80 0.285 -1.845 7.109 1.00 0.00 O ATOM 0 H GLY A 80 4.176 -2.885 7.940 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.562 -3.599 6.416 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.461 -3.998 7.720 1.00 0.00 H new ATOM 767 N PHE A 81 2.302 -0.852 7.202 1.00 0.00 N ATOM 768 CA PHE A 81 1.767 0.496 7.051 1.00 0.00 C ATOM 769 C PHE A 81 2.854 1.464 6.592 1.00 0.00 C ATOM 770 O PHE A 81 4.018 1.331 6.968 1.00 0.00 O ATOM 771 CB PHE A 81 1.163 0.978 8.371 1.00 0.00 C ATOM 772 CG PHE A 81 2.191 1.396 9.384 1.00 0.00 C ATOM 773 CD1 PHE A 81 2.795 2.641 9.305 1.00 0.00 C ATOM 774 CD2 PHE A 81 2.554 0.543 10.414 1.00 0.00 C ATOM 775 CE1 PHE A 81 3.741 3.028 10.235 1.00 0.00 C ATOM 776 CE2 PHE A 81 3.499 0.925 11.347 1.00 0.00 C ATOM 777 CZ PHE A 81 4.094 2.169 11.257 1.00 0.00 C ATOM 0 H PHE A 81 3.317 -0.895 7.291 1.00 0.00 H new ATOM 0 HA PHE A 81 0.986 0.468 6.291 1.00 0.00 H new ATOM 0 HB2 PHE A 81 0.498 1.819 8.172 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.551 0.181 8.794 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.523 3.316 8.507 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.093 -0.431 10.488 1.00 0.00 H new ATOM 0 HE1 PHE A 81 4.204 4.001 10.163 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.772 0.252 12.146 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.834 2.469 11.985 1.00 0.00 H new ATOM 787 N ALA A 82 2.464 2.438 5.776 1.00 0.00 N ATOM 788 CA ALA A 82 3.404 3.429 5.266 1.00 0.00 C ATOM 789 C ALA A 82 2.699 4.746 4.959 1.00 0.00 C ATOM 790 O ALA A 82 1.473 4.838 5.034 1.00 0.00 O ATOM 791 CB ALA A 82 4.105 2.901 4.024 1.00 0.00 C ATOM 0 H ALA A 82 1.504 2.562 5.454 1.00 0.00 H new ATOM 0 HA ALA A 82 4.150 3.618 6.038 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.804 3.651 3.654 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.649 1.990 4.273 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.365 2.683 3.254 1.00 0.00 H new ATOM 797 N PHE A 83 3.481 5.763 4.613 1.00 0.00 N ATOM 798 CA PHE A 83 2.931 7.076 4.296 1.00 0.00 C ATOM 799 C PHE A 83 3.433 7.563 2.940 1.00 0.00 C ATOM 800 O PHE A 83 4.604 7.912 2.787 1.00 0.00 O ATOM 801 CB PHE A 83 3.306 8.086 5.383 1.00 0.00 C ATOM 802 CG PHE A 83 2.610 7.843 6.692 1.00 0.00 C ATOM 803 CD1 PHE A 83 1.226 7.829 6.764 1.00 0.00 C ATOM 804 CD2 PHE A 83 3.339 7.629 7.850 1.00 0.00 C ATOM 805 CE1 PHE A 83 0.582 7.606 7.966 1.00 0.00 C ATOM 806 CE2 PHE A 83 2.701 7.405 9.056 1.00 0.00 C ATOM 807 CZ PHE A 83 1.321 7.394 9.114 1.00 0.00 C ATOM 0 H PHE A 83 4.497 5.703 4.545 1.00 0.00 H new ATOM 0 HA PHE A 83 1.846 6.986 4.252 1.00 0.00 H new ATOM 0 HB2 PHE A 83 4.384 8.053 5.542 1.00 0.00 H new ATOM 0 HB3 PHE A 83 3.066 9.090 5.034 1.00 0.00 H new ATOM 0 HD1 PHE A 83 0.644 7.994 5.870 1.00 0.00 H new ATOM 0 HD2 PHE A 83 4.418 7.637 7.811 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -0.497 7.597 8.008 1.00 0.00 H new ATOM 0 HE2 PHE A 83 3.281 7.239 9.952 1.00 0.00 H new ATOM 0 HZ PHE A 83 0.821 7.220 10.055 1.00 0.00 H new ATOM 817 N VAL A 84 2.539 7.582 1.956 1.00 0.00 N ATOM 818 CA VAL A 84 2.890 8.026 0.612 1.00 0.00 C ATOM 819 C VAL A 84 2.381 9.439 0.350 1.00 0.00 C ATOM 820 O VAL A 84 1.177 9.695 0.390 1.00 0.00 O ATOM 821 CB VAL A 84 2.318 7.079 -0.459 1.00 0.00 C ATOM 822 CG1 VAL A 84 2.818 7.470 -1.841 1.00 0.00 C ATOM 823 CG2 VAL A 84 2.680 5.636 -0.141 1.00 0.00 C ATOM 0 H VAL A 84 1.566 7.295 2.065 1.00 0.00 H new ATOM 0 HA VAL A 84 3.978 8.018 0.550 1.00 0.00 H new ATOM 0 HB VAL A 84 1.232 7.167 -0.454 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.403 6.789 -2.584 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.504 8.489 -2.067 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.906 7.412 -1.864 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.268 4.980 -0.908 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.765 5.530 -0.117 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.267 5.363 0.830 1.00 0.00 H new ATOM 833 N THR A 85 3.306 10.355 0.080 1.00 0.00 N ATOM 834 CA THR A 85 2.952 11.743 -0.188 1.00 0.00 C ATOM 835 C THR A 85 3.345 12.146 -1.605 1.00 0.00 C ATOM 836 O THR A 85 4.527 12.301 -1.912 1.00 0.00 O ATOM 837 CB THR A 85 3.629 12.699 0.811 1.00 0.00 C ATOM 838 OG1 THR A 85 3.618 12.125 2.123 1.00 0.00 O ATOM 839 CG2 THR A 85 2.922 14.045 0.836 1.00 0.00 C ATOM 0 H THR A 85 4.306 10.160 0.041 1.00 0.00 H new ATOM 0 HA THR A 85 1.870 11.820 -0.077 1.00 0.00 H new ATOM 0 HB THR A 85 4.659 12.853 0.491 1.00 0.00 H new ATOM 0 HG1 THR A 85 4.052 12.738 2.752 1.00 0.00 H new ATOM 0 HG21 THR A 85 3.418 14.703 1.549 1.00 0.00 H new ATOM 0 HG22 THR A 85 2.957 14.493 -0.157 1.00 0.00 H new ATOM 0 HG23 THR A 85 1.883 13.905 1.134 1.00 0.00 H new ATOM 847 N PHE A 86 2.346 12.315 -2.465 1.00 0.00 N ATOM 848 CA PHE A 86 2.587 12.700 -3.851 1.00 0.00 C ATOM 849 C PHE A 86 2.905 14.189 -3.954 1.00 0.00 C ATOM 850 O PHE A 86 2.608 14.963 -3.044 1.00 0.00 O ATOM 851 CB PHE A 86 1.369 12.367 -4.715 1.00 0.00 C ATOM 852 CG PHE A 86 1.145 10.892 -4.890 1.00 0.00 C ATOM 853 CD1 PHE A 86 0.417 10.173 -3.956 1.00 0.00 C ATOM 854 CD2 PHE A 86 1.663 10.225 -5.989 1.00 0.00 C ATOM 855 CE1 PHE A 86 0.208 8.815 -4.115 1.00 0.00 C ATOM 856 CE2 PHE A 86 1.457 8.868 -6.153 1.00 0.00 C ATOM 857 CZ PHE A 86 0.730 8.162 -5.214 1.00 0.00 C ATOM 0 H PHE A 86 1.362 12.191 -2.227 1.00 0.00 H new ATOM 0 HA PHE A 86 3.446 12.136 -4.214 1.00 0.00 H new ATOM 0 HB2 PHE A 86 0.481 12.810 -4.264 1.00 0.00 H new ATOM 0 HB3 PHE A 86 1.492 12.827 -5.696 1.00 0.00 H new ATOM 0 HD1 PHE A 86 0.008 10.679 -3.094 1.00 0.00 H new ATOM 0 HD2 PHE A 86 2.234 10.771 -6.725 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -0.363 8.266 -3.381 1.00 0.00 H new ATOM 0 HE2 PHE A 86 1.864 8.360 -7.015 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.570 7.101 -5.339 1.00 0.00 H new ATOM 867 N MET A 87 3.512 14.583 -5.069 1.00 0.00 N ATOM 868 CA MET A 87 3.871 15.979 -5.291 1.00 0.00 C ATOM 869 C MET A 87 2.623 16.844 -5.434 1.00 0.00 C ATOM 870 O MET A 87 2.537 17.928 -4.856 1.00 0.00 O ATOM 871 CB MET A 87 4.742 16.111 -6.542 1.00 0.00 C ATOM 872 CG MET A 87 6.232 15.994 -6.259 1.00 0.00 C ATOM 873 SD MET A 87 6.997 17.587 -5.901 1.00 0.00 S ATOM 874 CE MET A 87 6.104 18.068 -4.425 1.00 0.00 C ATOM 0 H MET A 87 3.765 13.956 -5.832 1.00 0.00 H new ATOM 0 HA MET A 87 4.436 16.325 -4.425 1.00 0.00 H new ATOM 0 HB2 MET A 87 4.455 15.341 -7.258 1.00 0.00 H new ATOM 0 HB3 MET A 87 4.544 17.074 -7.013 1.00 0.00 H new ATOM 0 HG2 MET A 87 6.386 15.323 -5.414 1.00 0.00 H new ATOM 0 HG3 MET A 87 6.727 15.542 -7.119 1.00 0.00 H new ATOM 0 HE1 MET A 87 6.525 18.993 -4.030 1.00 0.00 H new ATOM 0 HE2 MET A 87 5.053 18.223 -4.670 1.00 0.00 H new ATOM 0 HE3 MET A 87 6.190 17.281 -3.675 1.00 0.00 H new ATOM 884 N PHE A 88 1.657 16.359 -6.208 1.00 0.00 N ATOM 885 CA PHE A 88 0.414 17.090 -6.427 1.00 0.00 C ATOM 886 C PHE A 88 -0.780 16.305 -5.891 1.00 0.00 C ATOM 887 O PHE A 88 -0.845 15.079 -5.991 1.00 0.00 O ATOM 888 CB PHE A 88 0.222 17.376 -7.918 1.00 0.00 C ATOM 889 CG PHE A 88 1.473 17.845 -8.604 1.00 0.00 C ATOM 890 CD1 PHE A 88 1.896 19.159 -8.479 1.00 0.00 C ATOM 891 CD2 PHE A 88 2.226 16.973 -9.373 1.00 0.00 C ATOM 892 CE1 PHE A 88 3.047 19.594 -9.110 1.00 0.00 C ATOM 893 CE2 PHE A 88 3.378 17.402 -10.006 1.00 0.00 C ATOM 894 CZ PHE A 88 3.789 18.714 -9.873 1.00 0.00 C ATOM 0 H PHE A 88 1.711 15.464 -6.694 1.00 0.00 H new ATOM 0 HA PHE A 88 0.477 18.035 -5.888 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -0.136 16.472 -8.410 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -0.554 18.132 -8.038 1.00 0.00 H new ATOM 0 HD1 PHE A 88 1.320 19.851 -7.882 1.00 0.00 H new ATOM 0 HD2 PHE A 88 1.910 15.946 -9.479 1.00 0.00 H new ATOM 0 HE1 PHE A 88 3.365 20.621 -9.006 1.00 0.00 H new ATOM 0 HE2 PHE A 88 3.956 16.712 -10.604 1.00 0.00 H new ATOM 0 HZ PHE A 88 4.689 19.051 -10.365 1.00 0.00 H new ATOM 904 N PRO A 89 -1.748 17.027 -5.307 1.00 0.00 N ATOM 905 CA PRO A 89 -2.957 16.420 -4.743 1.00 0.00 C ATOM 906 C PRO A 89 -3.884 15.867 -5.819 1.00 0.00 C ATOM 907 O PRO A 89 -4.700 14.984 -5.554 1.00 0.00 O ATOM 908 CB PRO A 89 -3.627 17.583 -4.006 1.00 0.00 C ATOM 909 CG PRO A 89 -3.136 18.805 -4.702 1.00 0.00 C ATOM 910 CD PRO A 89 -1.736 18.491 -5.153 1.00 0.00 C ATOM 0 HA PRO A 89 -2.725 15.569 -4.103 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -4.713 17.509 -4.055 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -3.355 17.592 -2.951 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -3.773 19.053 -5.551 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -3.147 19.666 -4.033 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.494 18.992 -6.090 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.996 18.812 -4.420 1.00 0.00 H new ATOM 918 N GLU A 90 -3.752 16.390 -7.034 1.00 0.00 N ATOM 919 CA GLU A 90 -4.580 15.948 -8.150 1.00 0.00 C ATOM 920 C GLU A 90 -4.288 14.491 -8.499 1.00 0.00 C ATOM 921 O GLU A 90 -5.205 13.690 -8.684 1.00 0.00 O ATOM 922 CB GLU A 90 -4.341 16.834 -9.374 1.00 0.00 C ATOM 923 CG GLU A 90 -2.882 16.913 -9.793 1.00 0.00 C ATOM 924 CD GLU A 90 -2.662 17.847 -10.968 1.00 0.00 C ATOM 925 OE1 GLU A 90 -3.622 18.074 -11.734 1.00 0.00 O ATOM 926 OE2 GLU A 90 -1.530 18.351 -11.120 1.00 0.00 O ATOM 0 H GLU A 90 -3.080 17.120 -7.270 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.624 16.030 -7.849 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.930 16.453 -10.208 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -4.704 17.839 -9.161 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -2.283 17.251 -8.948 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.529 15.916 -10.055 1.00 0.00 H new ATOM 933 N HIS A 91 -3.005 14.155 -8.588 1.00 0.00 N ATOM 934 CA HIS A 91 -2.592 12.795 -8.915 1.00 0.00 C ATOM 935 C HIS A 91 -2.935 11.835 -7.779 1.00 0.00 C ATOM 936 O HIS A 91 -3.452 10.743 -8.012 1.00 0.00 O ATOM 937 CB HIS A 91 -1.091 12.750 -9.200 1.00 0.00 C ATOM 938 CG HIS A 91 -0.664 13.664 -10.307 1.00 0.00 C ATOM 939 ND1 HIS A 91 0.623 14.144 -10.433 1.00 0.00 N ATOM 940 CD2 HIS A 91 -1.361 14.185 -11.344 1.00 0.00 C ATOM 941 CE1 HIS A 91 0.698 14.921 -11.498 1.00 0.00 C ATOM 942 NE2 HIS A 91 -0.492 14.963 -12.069 1.00 0.00 N ATOM 0 H HIS A 91 -2.234 14.806 -8.438 1.00 0.00 H new ATOM 0 HA HIS A 91 -3.133 12.482 -9.808 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -0.549 13.015 -8.292 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -0.808 11.728 -9.454 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -2.406 14.020 -11.561 1.00 0.00 H new ATOM 0 HE1 HIS A 91 1.583 15.435 -11.844 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -0.727 15.488 -12.911 1.00 0.00 H new ATOM 951 N ALA A 92 -2.644 12.251 -6.551 1.00 0.00 N ATOM 952 CA ALA A 92 -2.922 11.429 -5.380 1.00 0.00 C ATOM 953 C ALA A 92 -4.330 10.846 -5.441 1.00 0.00 C ATOM 954 O ALA A 92 -4.567 9.723 -4.996 1.00 0.00 O ATOM 955 CB ALA A 92 -2.742 12.244 -4.108 1.00 0.00 C ATOM 0 H ALA A 92 -2.216 13.153 -6.341 1.00 0.00 H new ATOM 0 HA ALA A 92 -2.213 10.601 -5.372 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.953 11.617 -3.241 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -1.716 12.608 -4.051 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -3.428 13.091 -4.119 1.00 0.00 H new ATOM 961 N VAL A 93 -5.261 11.615 -5.996 1.00 0.00 N ATOM 962 CA VAL A 93 -6.646 11.174 -6.116 1.00 0.00 C ATOM 963 C VAL A 93 -6.764 9.989 -7.067 1.00 0.00 C ATOM 964 O VAL A 93 -7.385 8.976 -6.740 1.00 0.00 O ATOM 965 CB VAL A 93 -7.556 12.312 -6.615 1.00 0.00 C ATOM 966 CG1 VAL A 93 -8.976 11.808 -6.824 1.00 0.00 C ATOM 967 CG2 VAL A 93 -7.534 13.479 -5.640 1.00 0.00 C ATOM 0 H VAL A 93 -5.081 12.547 -6.370 1.00 0.00 H new ATOM 0 HA VAL A 93 -6.970 10.871 -5.120 1.00 0.00 H new ATOM 0 HB VAL A 93 -7.176 12.663 -7.574 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -9.604 12.626 -7.177 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -8.973 11.008 -7.564 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -9.370 11.428 -5.881 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.183 14.274 -6.009 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.888 13.145 -4.665 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -6.516 13.856 -5.547 1.00 0.00 H new ATOM 977 N LYS A 94 -6.165 10.120 -8.245 1.00 0.00 N ATOM 978 CA LYS A 94 -6.201 9.060 -9.245 1.00 0.00 C ATOM 979 C LYS A 94 -5.787 7.724 -8.636 1.00 0.00 C ATOM 980 O LYS A 94 -6.430 6.700 -8.867 1.00 0.00 O ATOM 981 CB LYS A 94 -5.281 9.405 -10.418 1.00 0.00 C ATOM 982 CG LYS A 94 -5.181 8.302 -11.458 1.00 0.00 C ATOM 983 CD LYS A 94 -3.833 8.318 -12.159 1.00 0.00 C ATOM 984 CE LYS A 94 -3.697 7.155 -13.131 1.00 0.00 C ATOM 985 NZ LYS A 94 -2.447 7.248 -13.934 1.00 0.00 N ATOM 0 H LYS A 94 -5.648 10.951 -8.531 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.225 8.972 -9.609 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -5.644 10.314 -10.898 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.284 9.623 -10.035 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.332 7.334 -10.979 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -5.976 8.421 -12.194 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.712 9.259 -12.696 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -3.035 8.269 -11.418 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -3.704 6.216 -12.577 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.558 7.138 -13.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -2.391 6.438 -14.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -2.451 8.132 -14.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -1.624 7.239 -13.298 1.00 0.00 H new ATOM 999 N ALA A 95 -4.710 7.742 -7.857 1.00 0.00 N ATOM 1000 CA ALA A 95 -4.213 6.533 -7.213 1.00 0.00 C ATOM 1001 C ALA A 95 -5.200 6.022 -6.169 1.00 0.00 C ATOM 1002 O ALA A 95 -5.603 4.859 -6.198 1.00 0.00 O ATOM 1003 CB ALA A 95 -2.856 6.795 -6.577 1.00 0.00 C ATOM 0 H ALA A 95 -4.165 8.581 -7.657 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.102 5.763 -7.976 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.496 5.884 -6.099 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.148 7.106 -7.345 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.950 7.583 -5.830 1.00 0.00 H new ATOM 1009 N TYR A 96 -5.584 6.898 -5.246 1.00 0.00 N ATOM 1010 CA TYR A 96 -6.521 6.534 -4.190 1.00 0.00 C ATOM 1011 C TYR A 96 -7.806 5.958 -4.777 1.00 0.00 C ATOM 1012 O TYR A 96 -8.539 5.234 -4.105 1.00 0.00 O ATOM 1013 CB TYR A 96 -6.843 7.752 -3.324 1.00 0.00 C ATOM 1014 CG TYR A 96 -8.175 7.654 -2.613 1.00 0.00 C ATOM 1015 CD1 TYR A 96 -8.474 6.565 -1.805 1.00 0.00 C ATOM 1016 CD2 TYR A 96 -9.133 8.651 -2.751 1.00 0.00 C ATOM 1017 CE1 TYR A 96 -9.690 6.471 -1.154 1.00 0.00 C ATOM 1018 CE2 TYR A 96 -10.350 8.566 -2.103 1.00 0.00 C ATOM 1019 CZ TYR A 96 -10.624 7.474 -1.306 1.00 0.00 C ATOM 1020 OH TYR A 96 -11.836 7.385 -0.661 1.00 0.00 O ATOM 0 H TYR A 96 -5.261 7.865 -5.208 1.00 0.00 H new ATOM 0 HA TYR A 96 -6.052 5.770 -3.570 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -6.054 7.880 -2.583 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -6.840 8.644 -3.950 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -7.744 5.778 -1.683 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -8.923 9.507 -3.375 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -9.907 5.617 -0.530 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -11.083 9.350 -2.220 1.00 0.00 H new ATOM 0 HH TYR A 96 -12.378 8.174 -0.873 1.00 0.00 H new ATOM 1030 N ALA A 97 -8.072 6.286 -6.038 1.00 0.00 N ATOM 1031 CA ALA A 97 -9.267 5.801 -6.717 1.00 0.00 C ATOM 1032 C ALA A 97 -9.051 4.397 -7.271 1.00 0.00 C ATOM 1033 O ALA A 97 -9.948 3.556 -7.221 1.00 0.00 O ATOM 1034 CB ALA A 97 -9.663 6.755 -7.834 1.00 0.00 C ATOM 0 H ALA A 97 -7.476 6.885 -6.609 1.00 0.00 H new ATOM 0 HA ALA A 97 -10.076 5.756 -5.988 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -10.557 6.380 -8.333 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -9.867 7.741 -7.416 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -8.849 6.828 -8.555 1.00 0.00 H new ATOM 1040 N GLU A 98 -7.856 4.151 -7.800 1.00 0.00 N ATOM 1041 CA GLU A 98 -7.524 2.848 -8.364 1.00 0.00 C ATOM 1042 C GLU A 98 -6.933 1.928 -7.299 1.00 0.00 C ATOM 1043 O GLU A 98 -7.475 0.860 -7.015 1.00 0.00 O ATOM 1044 CB GLU A 98 -6.537 3.005 -9.523 1.00 0.00 C ATOM 1045 CG GLU A 98 -7.097 3.792 -10.696 1.00 0.00 C ATOM 1046 CD GLU A 98 -7.857 2.918 -11.675 1.00 0.00 C ATOM 1047 OE1 GLU A 98 -7.208 2.275 -12.525 1.00 0.00 O ATOM 1048 OE2 GLU A 98 -9.103 2.877 -11.589 1.00 0.00 O ATOM 0 H GLU A 98 -7.102 4.837 -7.850 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.444 2.398 -8.738 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -5.638 3.502 -9.159 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -6.236 2.016 -9.870 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -7.759 4.573 -10.322 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -6.280 4.290 -11.218 1.00 0.00 H new ATOM 1055 N VAL A 99 -5.816 2.351 -6.715 1.00 0.00 N ATOM 1056 CA VAL A 99 -5.151 1.567 -5.682 1.00 0.00 C ATOM 1057 C VAL A 99 -6.154 1.028 -4.668 1.00 0.00 C ATOM 1058 O VAL A 99 -6.242 -0.180 -4.448 1.00 0.00 O ATOM 1059 CB VAL A 99 -4.088 2.400 -4.942 1.00 0.00 C ATOM 1060 CG1 VAL A 99 -3.428 1.575 -3.848 1.00 0.00 C ATOM 1061 CG2 VAL A 99 -3.050 2.930 -5.921 1.00 0.00 C ATOM 0 H VAL A 99 -5.353 3.232 -6.940 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.663 0.732 -6.185 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.581 3.252 -4.473 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.680 2.181 -3.337 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.183 1.250 -3.132 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.947 0.702 -4.290 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.307 3.516 -5.381 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.560 2.094 -6.420 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -3.539 3.560 -6.664 1.00 0.00 H new ATOM 1071 N ASP A 100 -6.909 1.932 -4.054 1.00 0.00 N ATOM 1072 CA ASP A 100 -7.909 1.549 -3.064 1.00 0.00 C ATOM 1073 C ASP A 100 -8.723 0.353 -3.549 1.00 0.00 C ATOM 1074 O ASP A 100 -9.678 0.506 -4.309 1.00 0.00 O ATOM 1075 CB ASP A 100 -8.838 2.726 -2.764 1.00 0.00 C ATOM 1076 CG ASP A 100 -9.858 2.399 -1.690 1.00 0.00 C ATOM 1077 OD1 ASP A 100 -9.502 1.681 -0.732 1.00 0.00 O ATOM 1078 OD2 ASP A 100 -11.011 2.863 -1.807 1.00 0.00 O ATOM 0 H ASP A 100 -6.848 2.936 -4.224 1.00 0.00 H new ATOM 0 HA ASP A 100 -7.389 1.265 -2.149 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -8.243 3.583 -2.448 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -9.357 3.018 -3.677 1.00 0.00 H new ATOM 1083 N GLY A 101 -8.336 -0.839 -3.105 1.00 0.00 N ATOM 1084 CA GLY A 101 -9.039 -2.044 -3.505 1.00 0.00 C ATOM 1085 C GLY A 101 -8.237 -2.889 -4.474 1.00 0.00 C ATOM 1086 O GLY A 101 -8.800 -3.687 -5.223 1.00 0.00 O ATOM 0 H GLY A 101 -7.548 -0.992 -2.475 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.273 -2.635 -2.620 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.988 -1.771 -3.966 1.00 0.00 H new ATOM 1090 N GLN A 102 -6.920 -2.711 -4.462 1.00 0.00 N ATOM 1091 CA GLN A 102 -6.040 -3.463 -5.349 1.00 0.00 C ATOM 1092 C GLN A 102 -5.226 -4.488 -4.568 1.00 0.00 C ATOM 1093 O GLN A 102 -4.990 -4.327 -3.370 1.00 0.00 O ATOM 1094 CB GLN A 102 -5.103 -2.513 -6.097 1.00 0.00 C ATOM 1095 CG GLN A 102 -3.948 -2.006 -5.249 1.00 0.00 C ATOM 1096 CD GLN A 102 -2.825 -1.419 -6.083 1.00 0.00 C ATOM 1097 OE1 GLN A 102 -1.844 -0.822 -5.418 1.00 0.00 O flip ATOM 1098 NE2 GLN A 102 -2.841 -1.503 -7.312 1.00 0.00 N flip ATOM 0 H GLN A 102 -6.439 -2.053 -3.848 1.00 0.00 H new ATOM 0 HA GLN A 102 -6.661 -3.994 -6.071 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -4.703 -3.025 -6.972 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -5.677 -1.661 -6.461 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -4.316 -1.248 -4.557 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -3.557 -2.826 -4.646 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -3.616 -1.971 -7.781 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -2.079 -1.104 -7.860 1.00 0.00 H new ATOM 1107 N VAL A 103 -4.798 -5.544 -5.253 1.00 0.00 N ATOM 1108 CA VAL A 103 -4.010 -6.596 -4.623 1.00 0.00 C ATOM 1109 C VAL A 103 -2.529 -6.446 -4.955 1.00 0.00 C ATOM 1110 O VAL A 103 -2.160 -6.214 -6.106 1.00 0.00 O ATOM 1111 CB VAL A 103 -4.484 -7.994 -5.065 1.00 0.00 C ATOM 1112 CG1 VAL A 103 -3.579 -9.072 -4.487 1.00 0.00 C ATOM 1113 CG2 VAL A 103 -5.930 -8.221 -4.650 1.00 0.00 C ATOM 0 H VAL A 103 -4.984 -5.693 -6.245 1.00 0.00 H new ATOM 0 HA VAL A 103 -4.151 -6.496 -3.547 1.00 0.00 H new ATOM 0 HB VAL A 103 -4.428 -8.051 -6.152 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -3.929 -10.053 -4.810 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -2.559 -8.917 -4.838 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -3.600 -9.019 -3.398 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -6.249 -9.213 -4.970 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -6.014 -8.145 -3.566 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -6.565 -7.468 -5.117 1.00 0.00 H new ATOM 1123 N PHE A 104 -1.684 -6.580 -3.938 1.00 0.00 N ATOM 1124 CA PHE A 104 -0.243 -6.459 -4.120 1.00 0.00 C ATOM 1125 C PHE A 104 0.491 -7.611 -3.438 1.00 0.00 C ATOM 1126 O PHE A 104 0.696 -7.597 -2.225 1.00 0.00 O ATOM 1127 CB PHE A 104 0.253 -5.123 -3.563 1.00 0.00 C ATOM 1128 CG PHE A 104 1.661 -4.791 -3.965 1.00 0.00 C ATOM 1129 CD1 PHE A 104 1.915 -4.093 -5.135 1.00 0.00 C ATOM 1130 CD2 PHE A 104 2.731 -5.177 -3.174 1.00 0.00 C ATOM 1131 CE1 PHE A 104 3.210 -3.786 -5.509 1.00 0.00 C ATOM 1132 CE2 PHE A 104 4.028 -4.871 -3.542 1.00 0.00 C ATOM 1133 CZ PHE A 104 4.268 -4.176 -4.711 1.00 0.00 C ATOM 0 H PHE A 104 -1.973 -6.773 -2.979 1.00 0.00 H new ATOM 0 HA PHE A 104 -0.033 -6.500 -5.189 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.410 -4.328 -3.903 1.00 0.00 H new ATOM 0 HB3 PHE A 104 0.190 -5.146 -2.475 1.00 0.00 H new ATOM 0 HD1 PHE A 104 1.091 -3.785 -5.762 1.00 0.00 H new ATOM 0 HD2 PHE A 104 2.550 -5.723 -2.260 1.00 0.00 H new ATOM 0 HE1 PHE A 104 3.394 -3.242 -6.424 1.00 0.00 H new ATOM 0 HE2 PHE A 104 4.853 -5.175 -2.915 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.281 -3.938 -5.001 1.00 0.00 H new ATOM 1143 N GLN A 105 0.882 -8.605 -4.228 1.00 0.00 N ATOM 1144 CA GLN A 105 1.591 -9.765 -3.701 1.00 0.00 C ATOM 1145 C GLN A 105 0.711 -10.547 -2.732 1.00 0.00 C ATOM 1146 O GLN A 105 1.187 -11.056 -1.718 1.00 0.00 O ATOM 1147 CB GLN A 105 2.878 -9.327 -3.000 1.00 0.00 C ATOM 1148 CG GLN A 105 3.783 -8.470 -3.870 1.00 0.00 C ATOM 1149 CD GLN A 105 5.168 -8.296 -3.278 1.00 0.00 C ATOM 1150 OE1 GLN A 105 5.513 -8.930 -2.281 1.00 0.00 O ATOM 1151 NE2 GLN A 105 5.970 -7.434 -3.891 1.00 0.00 N ATOM 0 H GLN A 105 0.720 -8.631 -5.235 1.00 0.00 H new ATOM 0 HA GLN A 105 1.845 -10.415 -4.538 1.00 0.00 H new ATOM 0 HB2 GLN A 105 2.620 -8.770 -2.099 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.427 -10.213 -2.680 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.868 -8.925 -4.857 1.00 0.00 H new ATOM 0 HG3 GLN A 105 3.326 -7.490 -4.009 1.00 0.00 H new ATOM 0 HE21 GLN A 105 5.642 -6.930 -4.715 1.00 0.00 H new ATOM 0 HE22 GLN A 105 6.914 -7.276 -3.538 1.00 0.00 H new ATOM 1160 N GLY A 106 -0.577 -10.638 -3.050 1.00 0.00 N ATOM 1161 CA GLY A 106 -1.503 -11.358 -2.197 1.00 0.00 C ATOM 1162 C GLY A 106 -1.825 -10.603 -0.923 1.00 0.00 C ATOM 1163 O GLY A 106 -2.090 -11.209 0.116 1.00 0.00 O ATOM 0 H GLY A 106 -0.995 -10.225 -3.884 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -2.425 -11.548 -2.746 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -1.078 -12.329 -1.943 1.00 0.00 H new ATOM 1167 N ARG A 107 -1.802 -9.277 -1.001 1.00 0.00 N ATOM 1168 CA ARG A 107 -2.091 -8.438 0.156 1.00 0.00 C ATOM 1169 C ARG A 107 -3.137 -7.381 -0.186 1.00 0.00 C ATOM 1170 O ARG A 107 -2.894 -6.497 -1.007 1.00 0.00 O ATOM 1171 CB ARG A 107 -0.812 -7.762 0.655 1.00 0.00 C ATOM 1172 CG ARG A 107 -0.047 -8.586 1.677 1.00 0.00 C ATOM 1173 CD ARG A 107 -0.768 -8.622 3.016 1.00 0.00 C ATOM 1174 NE ARG A 107 -0.482 -9.846 3.759 1.00 0.00 N ATOM 1175 CZ ARG A 107 -0.755 -10.004 5.050 1.00 0.00 C ATOM 1176 NH1 ARG A 107 -1.318 -9.019 5.736 1.00 0.00 N ATOM 1177 NH2 ARG A 107 -0.465 -11.148 5.656 1.00 0.00 N ATOM 0 H ARG A 107 -1.586 -8.760 -1.853 1.00 0.00 H new ATOM 0 HA ARG A 107 -2.489 -9.076 0.945 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -0.162 -7.560 -0.196 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -1.068 -6.799 1.096 1.00 0.00 H new ATOM 0 HG2 ARG A 107 0.081 -9.602 1.304 1.00 0.00 H new ATOM 0 HG3 ARG A 107 0.950 -8.167 1.811 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -0.470 -7.759 3.611 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -1.842 -8.541 2.851 1.00 0.00 H new ATOM 0 HE ARG A 107 -0.049 -10.623 3.260 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -1.542 -8.138 5.273 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -1.527 -9.142 6.727 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -0.032 -11.908 5.131 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -0.675 -11.268 6.647 1.00 0.00 H new ATOM 1191 N MET A 108 -4.301 -7.481 0.448 1.00 0.00 N ATOM 1192 CA MET A 108 -5.383 -6.533 0.211 1.00 0.00 C ATOM 1193 C MET A 108 -4.990 -5.133 0.671 1.00 0.00 C ATOM 1194 O MET A 108 -5.105 -4.801 1.851 1.00 0.00 O ATOM 1195 CB MET A 108 -6.652 -6.983 0.937 1.00 0.00 C ATOM 1196 CG MET A 108 -7.935 -6.559 0.240 1.00 0.00 C ATOM 1197 SD MET A 108 -7.924 -4.819 -0.234 1.00 0.00 S ATOM 1198 CE MET A 108 -7.740 -4.953 -2.011 1.00 0.00 C ATOM 0 H MET A 108 -4.519 -8.208 1.129 1.00 0.00 H new ATOM 0 HA MET A 108 -5.577 -6.503 -0.861 1.00 0.00 H new ATOM 0 HB2 MET A 108 -6.641 -8.069 1.031 1.00 0.00 H new ATOM 0 HB3 MET A 108 -6.646 -6.576 1.948 1.00 0.00 H new ATOM 0 HG2 MET A 108 -8.081 -7.173 -0.649 1.00 0.00 H new ATOM 0 HG3 MET A 108 -8.782 -6.747 0.900 1.00 0.00 H new ATOM 0 HE1 MET A 108 -7.084 -4.160 -2.370 1.00 0.00 H new ATOM 0 HE2 MET A 108 -7.307 -5.922 -2.260 1.00 0.00 H new ATOM 0 HE3 MET A 108 -8.717 -4.859 -2.486 1.00 0.00 H new ATOM 1208 N LEU A 109 -4.526 -4.315 -0.268 1.00 0.00 N ATOM 1209 CA LEU A 109 -4.116 -2.950 0.041 1.00 0.00 C ATOM 1210 C LEU A 109 -5.326 -2.074 0.347 1.00 0.00 C ATOM 1211 O LEU A 109 -6.321 -2.095 -0.378 1.00 0.00 O ATOM 1212 CB LEU A 109 -3.325 -2.357 -1.127 1.00 0.00 C ATOM 1213 CG LEU A 109 -2.049 -3.102 -1.520 1.00 0.00 C ATOM 1214 CD1 LEU A 109 -1.283 -2.325 -2.579 1.00 0.00 C ATOM 1215 CD2 LEU A 109 -1.176 -3.346 -0.298 1.00 0.00 C ATOM 0 H LEU A 109 -4.425 -4.574 -1.249 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.479 -2.980 0.925 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.979 -2.313 -1.998 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -3.060 -1.330 -0.876 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.329 -4.068 -1.939 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -0.378 -2.870 -2.847 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.908 -2.203 -3.464 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.013 -1.344 -2.187 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -0.272 -3.877 -0.597 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -0.904 -2.391 0.151 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.726 -3.945 0.428 1.00 0.00 H new ATOM 1227 N HIS A 110 -5.234 -1.301 1.425 1.00 0.00 N ATOM 1228 CA HIS A 110 -6.321 -0.415 1.826 1.00 0.00 C ATOM 1229 C HIS A 110 -5.859 1.039 1.841 1.00 0.00 C ATOM 1230 O HIS A 110 -5.025 1.428 2.659 1.00 0.00 O ATOM 1231 CB HIS A 110 -6.846 -0.809 3.207 1.00 0.00 C ATOM 1232 CG HIS A 110 -7.644 -2.077 3.205 1.00 0.00 C ATOM 1233 ND1 HIS A 110 -7.547 -3.182 2.430 1.00 0.00 N flip ATOM 1234 CD2 HIS A 110 -8.686 -2.311 4.076 1.00 0.00 C flip ATOM 1235 CE1 HIS A 110 -8.523 -4.056 2.843 1.00 0.00 C flip ATOM 1236 NE2 HIS A 110 -9.196 -3.506 3.838 1.00 0.00 N flip ATOM 0 H HIS A 110 -4.418 -1.270 2.036 1.00 0.00 H new ATOM 0 HA HIS A 110 -7.126 -0.515 1.098 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -6.003 -0.921 3.889 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -7.465 -0.000 3.596 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -9.032 -1.625 4.835 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -8.710 -5.033 2.423 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -9.977 -3.932 4.338 1.00 0.00 H new ATOM 1245 N VAL A 111 -6.405 1.838 0.930 1.00 0.00 N ATOM 1246 CA VAL A 111 -6.049 3.249 0.838 1.00 0.00 C ATOM 1247 C VAL A 111 -7.170 4.134 1.371 1.00 0.00 C ATOM 1248 O VAL A 111 -8.348 3.890 1.107 1.00 0.00 O ATOM 1249 CB VAL A 111 -5.736 3.655 -0.614 1.00 0.00 C ATOM 1250 CG1 VAL A 111 -5.108 5.040 -0.658 1.00 0.00 C ATOM 1251 CG2 VAL A 111 -4.825 2.628 -1.270 1.00 0.00 C ATOM 0 H VAL A 111 -7.096 1.532 0.245 1.00 0.00 H new ATOM 0 HA VAL A 111 -5.157 3.391 1.448 1.00 0.00 H new ATOM 0 HB VAL A 111 -6.671 3.688 -1.173 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.894 5.310 -1.692 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -5.798 5.766 -0.229 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -4.181 5.038 -0.084 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -4.614 2.931 -2.296 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -3.891 2.561 -0.712 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -5.316 1.655 -1.273 1.00 0.00 H new ATOM 1261 N LEU A 112 -6.796 5.164 2.122 1.00 0.00 N ATOM 1262 CA LEU A 112 -7.770 6.088 2.693 1.00 0.00 C ATOM 1263 C LEU A 112 -7.282 7.529 2.584 1.00 0.00 C ATOM 1264 O LEU A 112 -6.093 7.820 2.716 1.00 0.00 O ATOM 1265 CB LEU A 112 -8.038 5.737 4.157 1.00 0.00 C ATOM 1266 CG LEU A 112 -9.107 4.673 4.408 1.00 0.00 C ATOM 1267 CD1 LEU A 112 -8.981 4.112 5.816 1.00 0.00 C ATOM 1268 CD2 LEU A 112 -10.497 5.250 4.184 1.00 0.00 C ATOM 0 H LEU A 112 -5.826 5.380 2.350 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.698 5.995 2.128 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.104 5.398 4.605 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -8.330 6.647 4.680 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.955 3.859 3.700 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -9.750 3.356 5.977 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -7.997 3.661 5.941 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -9.106 4.917 6.541 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -11.245 4.479 4.367 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -10.660 6.083 4.868 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -10.583 5.602 3.156 1.00 0.00 H new ATOM 1280 N PRO A 113 -8.221 8.455 2.339 1.00 0.00 N ATOM 1281 CA PRO A 113 -7.911 9.882 2.211 1.00 0.00 C ATOM 1282 C PRO A 113 -7.500 10.509 3.539 1.00 0.00 C ATOM 1283 O PRO A 113 -8.189 10.356 4.547 1.00 0.00 O ATOM 1284 CB PRO A 113 -9.228 10.488 1.718 1.00 0.00 C ATOM 1285 CG PRO A 113 -10.280 9.550 2.199 1.00 0.00 C ATOM 1286 CD PRO A 113 -9.658 8.181 2.170 1.00 0.00 C ATOM 0 HA PRO A 113 -7.068 10.057 1.542 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -9.378 11.490 2.120 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -9.242 10.575 0.632 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -10.604 9.810 3.207 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -11.162 9.592 1.560 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -10.043 7.548 2.969 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -9.861 7.667 1.230 1.00 0.00 H new ATOM 1294 N SER A 114 -6.374 11.214 3.532 1.00 0.00 N ATOM 1295 CA SER A 114 -5.870 11.861 4.737 1.00 0.00 C ATOM 1296 C SER A 114 -5.452 13.300 4.448 1.00 0.00 C ATOM 1297 O SER A 114 -5.172 13.660 3.304 1.00 0.00 O ATOM 1298 CB SER A 114 -4.684 11.078 5.304 1.00 0.00 C ATOM 1299 OG SER A 114 -4.567 11.271 6.703 1.00 0.00 O ATOM 0 H SER A 114 -5.793 11.352 2.705 1.00 0.00 H new ATOM 0 HA SER A 114 -6.673 11.875 5.474 1.00 0.00 H new ATOM 0 HB2 SER A 114 -4.809 10.017 5.089 1.00 0.00 H new ATOM 0 HB3 SER A 114 -3.765 11.397 4.812 1.00 0.00 H new ATOM 0 HG SER A 114 -3.803 10.759 7.041 1.00 0.00 H new