USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=21 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 119:sc= 1.2 USER MOD Set 1.3: A 49 SER OG : rot -127:sc= 0.444 USER MOD Set 1.4: A 105 GLN : amide:sc= 0.699 K(o=2.3,f=-5.5!) USER MOD Single : A 44 ASN : amide:sc= -4.55! C(o=-4.6!,f=-5.5!) 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+ -173:sc= 0 (180deg=-0.049) 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 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 K(o=0,f=-1) USER MOD Single : A 69 TYR OH : rot 156:sc= -0.337 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -160:sc= -1.59 USER MOD Single : A 76 LYS NZ :NH3+ -154:sc= 0.727 (180deg=0.415) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -167:sc= -0.0281 (180deg=-0.339) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 141:sc= -3.76! (180deg=-7.88!) USER MOD Single : A 91 HIS : no HD1:sc= -4.56! C(o=-4.6!,f=-6.5!) 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= -3.5! C(o=-6.5!,f=-3.5!) USER MOD Single : A 108 MET CE :methyl 163:sc= -0.0136 (180deg=-0.202) USER MOD Single : A 110 HIS :FLIP no HD1:sc= -0.0179 F(o=-0.69,f=-0.018) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N GLY A 38 -1.667 15.814 -0.323 1.00 0.00 N ATOM 78 CA GLY A 38 -0.779 14.909 -1.028 1.00 0.00 C ATOM 79 C GLY A 38 -0.473 13.658 -0.229 1.00 0.00 C ATOM 80 O GLY A 38 -0.142 12.617 -0.796 1.00 0.00 O ATOM 0 HA2 GLY A 38 -1.232 14.628 -1.979 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.152 15.426 -1.259 1.00 0.00 H new ATOM 84 N ARG A 39 -0.581 13.760 1.092 1.00 0.00 N ATOM 85 CA ARG A 39 -0.311 12.628 1.970 1.00 0.00 C ATOM 86 C ARG A 39 -1.472 11.639 1.956 1.00 0.00 C ATOM 87 O ARG A 39 -2.629 12.020 2.141 1.00 0.00 O ATOM 88 CB ARG A 39 -0.057 13.113 3.398 1.00 0.00 C ATOM 89 CG ARG A 39 0.205 11.988 4.386 1.00 0.00 C ATOM 90 CD ARG A 39 0.209 12.495 5.820 1.00 0.00 C ATOM 91 NE ARG A 39 0.237 11.401 6.787 1.00 0.00 N ATOM 92 CZ ARG A 39 0.385 11.581 8.095 1.00 0.00 C ATOM 93 NH1 ARG A 39 0.516 12.804 8.589 1.00 0.00 N ATOM 94 NH2 ARG A 39 0.401 10.535 8.912 1.00 0.00 N ATOM 0 H ARG A 39 -0.853 14.615 1.577 1.00 0.00 H new ATOM 0 HA ARG A 39 0.580 12.120 1.602 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.797 13.790 3.396 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.919 13.688 3.736 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.558 11.218 4.273 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.164 11.521 4.161 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.075 13.138 5.975 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.677 13.107 5.991 1.00 0.00 H new ATOM 0 HE ARG A 39 0.138 10.447 6.439 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.503 13.610 7.964 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.629 12.939 9.594 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.300 9.592 8.536 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.515 10.674 9.916 1.00 0.00 H new ATOM 108 N LEU A 40 -1.157 10.367 1.735 1.00 0.00 N ATOM 109 CA LEU A 40 -2.175 9.323 1.696 1.00 0.00 C ATOM 110 C LEU A 40 -1.833 8.194 2.664 1.00 0.00 C ATOM 111 O LEU A 40 -0.675 7.796 2.787 1.00 0.00 O ATOM 112 CB LEU A 40 -2.311 8.768 0.277 1.00 0.00 C ATOM 113 CG LEU A 40 -2.769 9.763 -0.791 1.00 0.00 C ATOM 114 CD1 LEU A 40 -2.604 9.167 -2.180 1.00 0.00 C ATOM 115 CD2 LEU A 40 -4.215 10.173 -0.552 1.00 0.00 C ATOM 0 H LEU A 40 -0.205 10.034 1.580 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.124 9.764 2.000 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.347 8.359 -0.026 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.017 7.938 0.299 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.144 10.654 -0.724 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.935 9.888 -2.927 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.555 8.924 -2.349 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.204 8.261 -2.261 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.524 10.881 -1.321 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.855 9.291 -0.592 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.303 10.641 0.429 1.00 0.00 H new ATOM 127 N PHE A 41 -2.850 7.681 3.349 1.00 0.00 N ATOM 128 CA PHE A 41 -2.659 6.597 4.305 1.00 0.00 C ATOM 129 C PHE A 41 -2.816 5.239 3.627 1.00 0.00 C ATOM 130 O PHE A 41 -3.893 4.899 3.137 1.00 0.00 O ATOM 131 CB PHE A 41 -3.657 6.723 5.458 1.00 0.00 C ATOM 132 CG PHE A 41 -3.423 5.735 6.564 1.00 0.00 C ATOM 133 CD1 PHE A 41 -2.143 5.488 7.032 1.00 0.00 C ATOM 134 CD2 PHE A 41 -4.485 5.052 7.137 1.00 0.00 C ATOM 135 CE1 PHE A 41 -1.924 4.579 8.050 1.00 0.00 C ATOM 136 CE2 PHE A 41 -4.272 4.142 8.155 1.00 0.00 C ATOM 137 CZ PHE A 41 -2.990 3.905 8.612 1.00 0.00 C ATOM 0 H PHE A 41 -3.815 7.999 3.260 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.646 6.670 4.701 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -3.603 7.732 5.866 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -4.667 6.590 5.070 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.305 6.012 6.596 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -5.489 5.233 6.784 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.921 4.396 8.405 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -5.107 3.616 8.593 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.822 3.194 9.407 1.00 0.00 H new ATOM 147 N VAL A 42 -1.734 4.468 3.603 1.00 0.00 N ATOM 148 CA VAL A 42 -1.751 3.147 2.986 1.00 0.00 C ATOM 149 C VAL A 42 -1.327 2.071 3.980 1.00 0.00 C ATOM 150 O VAL A 42 -0.314 2.208 4.665 1.00 0.00 O ATOM 151 CB VAL A 42 -0.823 3.089 1.758 1.00 0.00 C ATOM 152 CG1 VAL A 42 -1.047 1.801 0.980 1.00 0.00 C ATOM 153 CG2 VAL A 42 -1.042 4.304 0.869 1.00 0.00 C ATOM 0 H VAL A 42 -0.835 4.735 4.003 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.776 2.960 2.667 1.00 0.00 H new ATOM 0 HB VAL A 42 0.211 3.101 2.103 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.383 1.778 0.116 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.836 0.946 1.623 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.083 1.755 0.643 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.379 4.248 0.006 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.078 4.325 0.530 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.827 5.211 1.433 1.00 0.00 H new ATOM 163 N ARG A 43 -2.111 1.000 4.053 1.00 0.00 N ATOM 164 CA ARG A 43 -1.818 -0.100 4.964 1.00 0.00 C ATOM 165 C ARG A 43 -1.931 -1.443 4.249 1.00 0.00 C ATOM 166 O ARG A 43 -2.316 -1.506 3.082 1.00 0.00 O ATOM 167 CB ARG A 43 -2.769 -0.066 6.162 1.00 0.00 C ATOM 168 CG ARG A 43 -4.159 -0.596 5.851 1.00 0.00 C ATOM 169 CD ARG A 43 -4.917 -0.950 7.121 1.00 0.00 C ATOM 170 NE ARG A 43 -4.634 -2.313 7.565 1.00 0.00 N ATOM 171 CZ ARG A 43 -4.956 -3.395 6.866 1.00 0.00 C ATOM 172 NH1 ARG A 43 -5.568 -3.275 5.696 1.00 0.00 N ATOM 173 NH2 ARG A 43 -4.665 -4.601 7.337 1.00 0.00 N ATOM 0 H ARG A 43 -2.953 0.871 3.493 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.794 0.018 5.319 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.339 -0.653 6.974 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.852 0.960 6.520 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.718 0.152 5.289 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.080 -1.478 5.215 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.649 -0.248 7.911 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -5.987 -0.840 6.947 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.163 -2.440 8.461 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -5.793 -2.350 5.331 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.814 -4.108 5.161 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -4.194 -4.697 8.236 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.913 -5.432 6.800 1.00 0.00 H new ATOM 187 N ASN A 44 -1.593 -2.516 4.957 1.00 0.00 N ATOM 188 CA ASN A 44 -1.656 -3.858 4.390 1.00 0.00 C ATOM 189 C ASN A 44 -0.502 -4.093 3.421 1.00 0.00 C ATOM 190 O ASN A 44 -0.713 -4.455 2.262 1.00 0.00 O ATOM 191 CB ASN A 44 -2.991 -4.069 3.672 1.00 0.00 C ATOM 192 CG ASN A 44 -3.430 -5.520 3.683 1.00 0.00 C ATOM 193 OD1 ASN A 44 -4.192 -5.943 4.552 1.00 0.00 O ATOM 194 ND2 ASN A 44 -2.950 -6.290 2.714 1.00 0.00 N ATOM 0 H ASN A 44 -1.273 -2.482 5.925 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.573 -4.575 5.207 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.757 -3.457 4.148 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.904 -3.726 2.641 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -3.210 -7.275 2.669 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -2.321 -5.896 2.014 1.00 0.00 H new ATOM 201 N LEU A 45 0.719 -3.887 3.902 1.00 0.00 N ATOM 202 CA LEU A 45 1.908 -4.077 3.078 1.00 0.00 C ATOM 203 C LEU A 45 2.550 -5.433 3.354 1.00 0.00 C ATOM 204 O LEU A 45 2.914 -5.740 4.489 1.00 0.00 O ATOM 205 CB LEU A 45 2.919 -2.959 3.341 1.00 0.00 C ATOM 206 CG LEU A 45 2.718 -1.672 2.541 1.00 0.00 C ATOM 207 CD1 LEU A 45 2.852 -1.943 1.051 1.00 0.00 C ATOM 208 CD2 LEU A 45 1.362 -1.056 2.853 1.00 0.00 C ATOM 0 H LEU A 45 0.912 -3.588 4.858 1.00 0.00 H new ATOM 0 HA LEU A 45 1.604 -4.045 2.032 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.890 -2.712 4.402 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.917 -3.342 3.130 1.00 0.00 H new ATOM 0 HG LEU A 45 3.493 -0.962 2.831 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.706 -1.015 0.498 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.846 -2.338 0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.100 -2.670 0.744 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.236 -0.141 2.275 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.573 -1.761 2.592 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.304 -0.824 3.916 1.00 0.00 H new ATOM 220 N SER A 46 2.688 -6.241 2.307 1.00 0.00 N ATOM 221 CA SER A 46 3.284 -7.565 2.437 1.00 0.00 C ATOM 222 C SER A 46 4.726 -7.466 2.926 1.00 0.00 C ATOM 223 O SER A 46 5.542 -6.749 2.346 1.00 0.00 O ATOM 224 CB SER A 46 3.238 -8.301 1.096 1.00 0.00 C ATOM 225 OG SER A 46 3.197 -9.705 1.287 1.00 0.00 O ATOM 0 H SER A 46 2.395 -6.001 1.360 1.00 0.00 H new ATOM 0 HA SER A 46 2.707 -8.126 3.172 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.362 -7.982 0.532 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.113 -8.037 0.502 1.00 0.00 H new ATOM 0 HG SER A 46 3.166 -10.153 0.416 1.00 0.00 H new ATOM 231 N TYR A 47 5.032 -8.189 3.997 1.00 0.00 N ATOM 232 CA TYR A 47 6.374 -8.182 4.567 1.00 0.00 C ATOM 233 C TYR A 47 7.422 -8.471 3.497 1.00 0.00 C ATOM 234 O TYR A 47 8.573 -8.046 3.606 1.00 0.00 O ATOM 235 CB TYR A 47 6.479 -9.214 5.691 1.00 0.00 C ATOM 236 CG TYR A 47 5.219 -9.338 6.518 1.00 0.00 C ATOM 237 CD1 TYR A 47 4.850 -8.341 7.412 1.00 0.00 C ATOM 238 CD2 TYR A 47 4.398 -10.453 6.405 1.00 0.00 C ATOM 239 CE1 TYR A 47 3.701 -8.451 8.171 1.00 0.00 C ATOM 240 CE2 TYR A 47 3.246 -10.571 7.159 1.00 0.00 C ATOM 241 CZ TYR A 47 2.902 -9.568 8.040 1.00 0.00 C ATOM 242 OH TYR A 47 1.756 -9.680 8.793 1.00 0.00 O ATOM 0 H TYR A 47 4.369 -8.788 4.488 1.00 0.00 H new ATOM 0 HA TYR A 47 6.562 -7.189 4.976 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.718 -10.186 5.259 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.308 -8.944 6.345 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.472 -7.464 7.516 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.665 -11.241 5.716 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.430 -7.667 8.863 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.619 -11.444 7.059 1.00 0.00 H new ATOM 0 HH TYR A 47 1.307 -10.525 8.581 1.00 0.00 H new ATOM 252 N THR A 48 7.015 -9.196 2.459 1.00 0.00 N ATOM 253 CA THR A 48 7.917 -9.543 1.368 1.00 0.00 C ATOM 254 C THR A 48 8.242 -8.323 0.514 1.00 0.00 C ATOM 255 O THR A 48 9.310 -8.245 -0.092 1.00 0.00 O ATOM 256 CB THR A 48 7.315 -10.640 0.470 1.00 0.00 C ATOM 257 OG1 THR A 48 6.210 -10.113 -0.273 1.00 0.00 O ATOM 258 CG2 THR A 48 6.855 -11.828 1.300 1.00 0.00 C ATOM 0 H THR A 48 6.066 -9.554 2.351 1.00 0.00 H new ATOM 0 HA THR A 48 8.834 -9.919 1.822 1.00 0.00 H new ATOM 0 HB THR A 48 8.088 -10.978 -0.220 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.401 -10.176 -1.232 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.434 -12.589 0.643 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.705 -12.245 1.841 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.096 -11.503 2.012 1.00 0.00 H new ATOM 266 N SER A 49 7.313 -7.373 0.471 1.00 0.00 N ATOM 267 CA SER A 49 7.500 -6.157 -0.312 1.00 0.00 C ATOM 268 C SER A 49 8.614 -5.297 0.277 1.00 0.00 C ATOM 269 O SER A 49 8.882 -5.346 1.478 1.00 0.00 O ATOM 270 CB SER A 49 6.198 -5.357 -0.369 1.00 0.00 C ATOM 271 OG SER A 49 5.136 -6.145 -0.879 1.00 0.00 O ATOM 0 H SER A 49 6.424 -7.422 0.969 1.00 0.00 H new ATOM 0 HA SER A 49 7.785 -6.446 -1.324 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.943 -5.000 0.629 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.336 -4.477 -0.997 1.00 0.00 H new ATOM 0 HG SER A 49 4.707 -5.673 -1.623 1.00 0.00 H new ATOM 277 N SER A 50 9.260 -4.509 -0.576 1.00 0.00 N ATOM 278 CA SER A 50 10.347 -3.640 -0.142 1.00 0.00 C ATOM 279 C SER A 50 10.029 -2.179 -0.445 1.00 0.00 C ATOM 280 O SER A 50 9.106 -1.878 -1.201 1.00 0.00 O ATOM 281 CB SER A 50 11.654 -4.042 -0.828 1.00 0.00 C ATOM 282 OG SER A 50 12.274 -5.122 -0.151 1.00 0.00 O ATOM 0 H SER A 50 9.049 -4.455 -1.572 1.00 0.00 H new ATOM 0 HA SER A 50 10.461 -3.753 0.936 1.00 0.00 H new ATOM 0 HB2 SER A 50 11.454 -4.323 -1.862 1.00 0.00 H new ATOM 0 HB3 SER A 50 12.332 -3.189 -0.855 1.00 0.00 H new ATOM 0 HG SER A 50 13.106 -5.361 -0.610 1.00 0.00 H new ATOM 288 N GLU A 51 10.801 -1.276 0.151 1.00 0.00 N ATOM 289 CA GLU A 51 10.601 0.154 -0.054 1.00 0.00 C ATOM 290 C GLU A 51 10.629 0.499 -1.540 1.00 0.00 C ATOM 291 O GLU A 51 9.753 1.204 -2.040 1.00 0.00 O ATOM 292 CB GLU A 51 11.675 0.953 0.687 1.00 0.00 C ATOM 293 CG GLU A 51 11.255 2.375 1.018 1.00 0.00 C ATOM 294 CD GLU A 51 12.158 3.025 2.049 1.00 0.00 C ATOM 295 OE1 GLU A 51 12.230 2.509 3.184 1.00 0.00 O ATOM 296 OE2 GLU A 51 12.793 4.048 1.720 1.00 0.00 O ATOM 0 H GLU A 51 11.570 -1.509 0.779 1.00 0.00 H new ATOM 0 HA GLU A 51 9.622 0.419 0.345 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.930 0.434 1.611 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.579 0.982 0.078 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.261 2.973 0.107 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.230 2.370 1.389 1.00 0.00 H new ATOM 303 N GLU A 52 11.642 -0.002 -2.239 1.00 0.00 N ATOM 304 CA GLU A 52 11.785 0.255 -3.667 1.00 0.00 C ATOM 305 C GLU A 52 10.506 -0.107 -4.416 1.00 0.00 C ATOM 306 O GLU A 52 9.978 0.693 -5.188 1.00 0.00 O ATOM 307 CB GLU A 52 12.963 -0.539 -4.236 1.00 0.00 C ATOM 308 CG GLU A 52 13.118 -0.404 -5.741 1.00 0.00 C ATOM 309 CD GLU A 52 14.280 -1.215 -6.283 1.00 0.00 C ATOM 310 OE1 GLU A 52 15.437 -0.775 -6.119 1.00 0.00 O ATOM 311 OE2 GLU A 52 14.031 -2.288 -6.871 1.00 0.00 O ATOM 0 H GLU A 52 12.375 -0.588 -1.840 1.00 0.00 H new ATOM 0 HA GLU A 52 11.975 1.320 -3.800 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.882 -0.206 -3.753 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.835 -1.592 -3.985 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.197 -0.725 -6.228 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.263 0.646 -5.995 1.00 0.00 H new ATOM 318 N ASP A 53 10.013 -1.319 -4.182 1.00 0.00 N ATOM 319 CA ASP A 53 8.795 -1.788 -4.833 1.00 0.00 C ATOM 320 C ASP A 53 7.700 -0.728 -4.766 1.00 0.00 C ATOM 321 O ASP A 53 7.154 -0.318 -5.792 1.00 0.00 O ATOM 322 CB ASP A 53 8.309 -3.083 -4.180 1.00 0.00 C ATOM 323 CG ASP A 53 9.131 -4.286 -4.598 1.00 0.00 C ATOM 324 OD1 ASP A 53 9.031 -4.692 -5.775 1.00 0.00 O ATOM 325 OD2 ASP A 53 9.872 -4.823 -3.748 1.00 0.00 O ATOM 0 H ASP A 53 10.438 -1.994 -3.546 1.00 0.00 H new ATOM 0 HA ASP A 53 9.024 -1.982 -5.881 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.350 -2.977 -3.096 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.265 -3.250 -4.445 1.00 0.00 H new ATOM 330 N LEU A 54 7.383 -0.287 -3.554 1.00 0.00 N ATOM 331 CA LEU A 54 6.352 0.725 -3.353 1.00 0.00 C ATOM 332 C LEU A 54 6.609 1.946 -4.230 1.00 0.00 C ATOM 333 O LEU A 54 5.736 2.375 -4.984 1.00 0.00 O ATOM 334 CB LEU A 54 6.299 1.142 -1.882 1.00 0.00 C ATOM 335 CG LEU A 54 5.580 0.180 -0.937 1.00 0.00 C ATOM 336 CD1 LEU A 54 5.768 0.611 0.509 1.00 0.00 C ATOM 337 CD2 LEU A 54 4.100 0.099 -1.282 1.00 0.00 C ATOM 0 H LEU A 54 7.825 -0.614 -2.695 1.00 0.00 H new ATOM 0 HA LEU A 54 5.393 0.292 -3.637 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.321 1.274 -1.526 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.811 2.115 -1.818 1.00 0.00 H new ATOM 0 HG LEU A 54 6.016 -0.811 -1.059 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.249 -0.086 1.167 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.831 0.616 0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.359 1.612 0.646 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.604 -0.591 -0.599 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.650 1.088 -1.189 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.984 -0.258 -2.305 1.00 0.00 H new ATOM 349 N GLU A 55 7.814 2.499 -4.128 1.00 0.00 N ATOM 350 CA GLU A 55 8.185 3.669 -4.914 1.00 0.00 C ATOM 351 C GLU A 55 7.678 3.545 -6.348 1.00 0.00 C ATOM 352 O GLU A 55 6.989 4.431 -6.854 1.00 0.00 O ATOM 353 CB GLU A 55 9.705 3.851 -4.913 1.00 0.00 C ATOM 354 CG GLU A 55 10.244 4.466 -3.633 1.00 0.00 C ATOM 355 CD GLU A 55 11.719 4.803 -3.723 1.00 0.00 C ATOM 356 OE1 GLU A 55 12.188 5.118 -4.837 1.00 0.00 O ATOM 357 OE2 GLU A 55 12.405 4.751 -2.681 1.00 0.00 O ATOM 0 H GLU A 55 8.549 2.156 -3.509 1.00 0.00 H new ATOM 0 HA GLU A 55 7.721 4.543 -4.457 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.179 2.881 -5.068 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.987 4.482 -5.756 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.682 5.371 -3.405 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.083 3.774 -2.806 1.00 0.00 H new ATOM 364 N LYS A 56 8.025 2.440 -6.999 1.00 0.00 N ATOM 365 CA LYS A 56 7.605 2.197 -8.374 1.00 0.00 C ATOM 366 C LYS A 56 6.086 2.105 -8.471 1.00 0.00 C ATOM 367 O LYS A 56 5.451 2.877 -9.190 1.00 0.00 O ATOM 368 CB LYS A 56 8.240 0.909 -8.902 1.00 0.00 C ATOM 369 CG LYS A 56 9.685 1.077 -9.339 1.00 0.00 C ATOM 370 CD LYS A 56 10.623 1.150 -8.146 1.00 0.00 C ATOM 371 CE LYS A 56 12.027 1.558 -8.565 1.00 0.00 C ATOM 372 NZ LYS A 56 12.623 0.587 -9.524 1.00 0.00 N ATOM 0 H LYS A 56 8.597 1.698 -6.596 1.00 0.00 H new ATOM 0 HA LYS A 56 7.939 3.036 -8.984 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.191 0.145 -8.126 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.654 0.545 -9.746 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.972 0.242 -9.978 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.783 1.984 -9.936 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.236 1.866 -7.421 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.658 0.180 -7.649 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.997 2.547 -9.021 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.662 1.633 -7.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.619 0.834 -9.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.567 -0.372 -9.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.100 0.621 -10.422 1.00 0.00 H new ATOM 386 N LEU A 57 5.508 1.157 -7.742 1.00 0.00 N ATOM 387 CA LEU A 57 4.061 0.965 -7.744 1.00 0.00 C ATOM 388 C LEU A 57 3.335 2.302 -7.840 1.00 0.00 C ATOM 389 O LEU A 57 2.705 2.607 -8.853 1.00 0.00 O ATOM 390 CB LEU A 57 3.623 0.223 -6.480 1.00 0.00 C ATOM 391 CG LEU A 57 2.127 0.257 -6.167 1.00 0.00 C ATOM 392 CD1 LEU A 57 1.370 -0.700 -7.074 1.00 0.00 C ATOM 393 CD2 LEU A 57 1.881 -0.085 -4.704 1.00 0.00 C ATOM 0 H LEU A 57 6.018 0.509 -7.142 1.00 0.00 H new ATOM 0 HA LEU A 57 3.800 0.367 -8.617 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.932 -0.819 -6.569 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.161 0.644 -5.631 1.00 0.00 H new ATOM 0 HG LEU A 57 1.759 1.267 -6.351 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.307 -0.662 -6.837 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.520 -0.411 -8.114 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.740 -1.714 -6.922 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.811 -0.056 -4.499 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.264 -1.084 -4.494 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.392 0.640 -4.070 1.00 0.00 H new ATOM 405 N PHE A 58 3.428 3.098 -6.780 1.00 0.00 N ATOM 406 CA PHE A 58 2.781 4.404 -6.744 1.00 0.00 C ATOM 407 C PHE A 58 3.330 5.313 -7.840 1.00 0.00 C ATOM 408 O PHE A 58 2.571 5.921 -8.595 1.00 0.00 O ATOM 409 CB PHE A 58 2.980 5.059 -5.376 1.00 0.00 C ATOM 410 CG PHE A 58 2.270 4.345 -4.261 1.00 0.00 C ATOM 411 CD1 PHE A 58 0.900 4.475 -4.099 1.00 0.00 C ATOM 412 CD2 PHE A 58 2.973 3.544 -3.375 1.00 0.00 C ATOM 413 CE1 PHE A 58 0.245 3.820 -3.073 1.00 0.00 C ATOM 414 CE2 PHE A 58 2.323 2.886 -2.348 1.00 0.00 C ATOM 415 CZ PHE A 58 0.957 3.023 -2.198 1.00 0.00 C ATOM 0 H PHE A 58 3.946 2.861 -5.934 1.00 0.00 H new ATOM 0 HA PHE A 58 1.715 4.258 -6.917 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.046 5.097 -5.152 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.627 6.089 -5.420 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.338 5.095 -4.782 1.00 0.00 H new ATOM 0 HD2 PHE A 58 4.041 3.433 -3.488 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.823 3.931 -2.956 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.883 2.266 -1.664 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.446 2.508 -1.398 1.00 0.00 H new ATOM 425 N SER A 59 4.654 5.401 -7.920 1.00 0.00 N ATOM 426 CA SER A 59 5.305 6.238 -8.920 1.00 0.00 C ATOM 427 C SER A 59 4.569 6.163 -10.254 1.00 0.00 C ATOM 428 O SER A 59 4.392 7.173 -10.935 1.00 0.00 O ATOM 429 CB SER A 59 6.763 5.810 -9.103 1.00 0.00 C ATOM 430 OG SER A 59 7.256 6.210 -10.370 1.00 0.00 O ATOM 0 H SER A 59 5.296 4.903 -7.304 1.00 0.00 H new ATOM 0 HA SER A 59 5.278 7.269 -8.568 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.376 6.249 -8.316 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.843 4.728 -9.003 1.00 0.00 H new ATOM 0 HG SER A 59 8.190 5.926 -10.462 1.00 0.00 H new ATOM 436 N ALA A 60 4.144 4.959 -10.621 1.00 0.00 N ATOM 437 CA ALA A 60 3.426 4.751 -11.873 1.00 0.00 C ATOM 438 C ALA A 60 2.272 5.738 -12.014 1.00 0.00 C ATOM 439 O ALA A 60 2.087 6.345 -13.069 1.00 0.00 O ATOM 440 CB ALA A 60 2.913 3.321 -11.955 1.00 0.00 C ATOM 0 H ALA A 60 4.284 4.113 -10.069 1.00 0.00 H new ATOM 0 HA ALA A 60 4.120 4.924 -12.695 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.379 3.179 -12.895 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.754 2.629 -11.908 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.238 3.128 -11.121 1.00 0.00 H new ATOM 446 N TYR A 61 1.498 5.893 -10.945 1.00 0.00 N ATOM 447 CA TYR A 61 0.360 6.804 -10.951 1.00 0.00 C ATOM 448 C TYR A 61 0.821 8.251 -11.097 1.00 0.00 C ATOM 449 O TYR A 61 0.192 9.048 -11.791 1.00 0.00 O ATOM 450 CB TYR A 61 -0.455 6.644 -9.667 1.00 0.00 C ATOM 451 CG TYR A 61 -1.211 5.336 -9.589 1.00 0.00 C ATOM 452 CD1 TYR A 61 -2.497 5.223 -10.103 1.00 0.00 C ATOM 453 CD2 TYR A 61 -0.640 4.215 -9.000 1.00 0.00 C ATOM 454 CE1 TYR A 61 -3.191 4.031 -10.034 1.00 0.00 C ATOM 455 CE2 TYR A 61 -1.326 3.019 -8.927 1.00 0.00 C ATOM 456 CZ TYR A 61 -2.602 2.931 -9.445 1.00 0.00 C ATOM 457 OH TYR A 61 -3.289 1.742 -9.374 1.00 0.00 O ATOM 0 H TYR A 61 1.638 5.399 -10.064 1.00 0.00 H new ATOM 0 HA TYR A 61 -0.268 6.554 -11.806 1.00 0.00 H new ATOM 0 HB2 TYR A 61 0.214 6.719 -8.810 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -1.164 7.469 -9.591 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.962 6.082 -10.564 1.00 0.00 H new ATOM 0 HD2 TYR A 61 0.358 4.280 -8.592 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -4.190 3.960 -10.439 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -0.866 2.157 -8.467 1.00 0.00 H new ATOM 0 HH TYR A 61 -2.732 1.068 -8.931 1.00 0.00 H new ATOM 467 N GLY A 62 1.926 8.583 -10.435 1.00 0.00 N ATOM 468 CA GLY A 62 2.454 9.933 -10.504 1.00 0.00 C ATOM 469 C GLY A 62 3.695 10.113 -9.652 1.00 0.00 C ATOM 470 O GLY A 62 4.247 9.155 -9.110 1.00 0.00 O ATOM 0 H GLY A 62 2.464 7.941 -9.853 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.690 10.175 -11.540 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.688 10.637 -10.178 1.00 0.00 H new ATOM 474 N PRO A 63 4.155 11.367 -9.527 1.00 0.00 N ATOM 475 CA PRO A 63 5.344 11.700 -8.737 1.00 0.00 C ATOM 476 C PRO A 63 5.112 11.531 -7.240 1.00 0.00 C ATOM 477 O PRO A 63 3.987 11.666 -6.756 1.00 0.00 O ATOM 478 CB PRO A 63 5.596 13.171 -9.077 1.00 0.00 C ATOM 479 CG PRO A 63 4.262 13.700 -9.479 1.00 0.00 C ATOM 480 CD PRO A 63 3.547 12.558 -10.146 1.00 0.00 C ATOM 0 HA PRO A 63 6.184 11.045 -8.969 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.995 13.713 -8.220 1.00 0.00 H new ATOM 0 HB3 PRO A 63 6.322 13.272 -9.884 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.706 14.055 -8.612 1.00 0.00 H new ATOM 0 HG3 PRO A 63 4.366 14.545 -10.159 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.472 12.599 -9.969 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.693 12.568 -11.226 1.00 0.00 H new ATOM 488 N LEU A 64 6.182 11.234 -6.510 1.00 0.00 N ATOM 489 CA LEU A 64 6.094 11.047 -5.066 1.00 0.00 C ATOM 490 C LEU A 64 6.889 12.121 -4.329 1.00 0.00 C ATOM 491 O LEU A 64 8.084 12.294 -4.565 1.00 0.00 O ATOM 492 CB LEU A 64 6.610 9.660 -4.679 1.00 0.00 C ATOM 493 CG LEU A 64 5.911 8.474 -5.346 1.00 0.00 C ATOM 494 CD1 LEU A 64 6.518 7.162 -4.874 1.00 0.00 C ATOM 495 CD2 LEU A 64 4.416 8.506 -5.059 1.00 0.00 C ATOM 0 H LEU A 64 7.120 11.118 -6.894 1.00 0.00 H new ATOM 0 HA LEU A 64 5.047 11.132 -4.776 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.673 9.610 -4.916 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.519 9.549 -3.598 1.00 0.00 H new ATOM 0 HG LEU A 64 6.056 8.551 -6.424 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.008 6.330 -5.359 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.577 7.138 -5.131 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.405 7.077 -3.793 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.935 7.655 -5.541 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.251 8.454 -3.983 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.991 9.431 -5.447 1.00 0.00 H new ATOM 507 N SER A 65 6.217 12.837 -3.433 1.00 0.00 N ATOM 508 CA SER A 65 6.860 13.894 -2.662 1.00 0.00 C ATOM 509 C SER A 65 7.767 13.307 -1.585 1.00 0.00 C ATOM 510 O SER A 65 8.840 13.840 -1.304 1.00 0.00 O ATOM 511 CB SER A 65 5.806 14.798 -2.019 1.00 0.00 C ATOM 512 OG SER A 65 6.404 15.943 -1.436 1.00 0.00 O ATOM 0 H SER A 65 5.228 12.704 -3.223 1.00 0.00 H new ATOM 0 HA SER A 65 7.471 14.486 -3.343 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.079 15.106 -2.771 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.260 14.241 -1.257 1.00 0.00 H new ATOM 0 HG SER A 65 5.710 16.505 -1.033 1.00 0.00 H new ATOM 518 N GLU A 66 7.327 12.205 -0.986 1.00 0.00 N ATOM 519 CA GLU A 66 8.099 11.545 0.060 1.00 0.00 C ATOM 520 C GLU A 66 7.497 10.186 0.406 1.00 0.00 C ATOM 521 O GLU A 66 6.277 10.013 0.394 1.00 0.00 O ATOM 522 CB GLU A 66 8.157 12.423 1.313 1.00 0.00 C ATOM 523 CG GLU A 66 8.802 11.739 2.506 1.00 0.00 C ATOM 524 CD GLU A 66 10.316 11.724 2.421 1.00 0.00 C ATOM 525 OE1 GLU A 66 10.849 11.245 1.398 1.00 0.00 O ATOM 526 OE2 GLU A 66 10.968 12.191 3.378 1.00 0.00 O ATOM 0 H GLU A 66 6.441 11.751 -1.207 1.00 0.00 H new ATOM 0 HA GLU A 66 9.111 11.390 -0.314 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.711 13.333 1.083 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.145 12.725 1.582 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.498 12.249 3.420 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.435 10.715 2.575 1.00 0.00 H new ATOM 533 N LEU A 67 8.360 9.224 0.713 1.00 0.00 N ATOM 534 CA LEU A 67 7.915 7.879 1.062 1.00 0.00 C ATOM 535 C LEU A 67 8.383 7.497 2.462 1.00 0.00 C ATOM 536 O LEU A 67 9.491 7.842 2.874 1.00 0.00 O ATOM 537 CB LEU A 67 8.439 6.867 0.042 1.00 0.00 C ATOM 538 CG LEU A 67 7.936 5.432 0.202 1.00 0.00 C ATOM 539 CD1 LEU A 67 6.539 5.287 -0.381 1.00 0.00 C ATOM 540 CD2 LEU A 67 8.896 4.454 -0.461 1.00 0.00 C ATOM 0 H LEU A 67 9.372 9.350 0.727 1.00 0.00 H new ATOM 0 HA LEU A 67 6.825 7.868 1.048 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.172 7.215 -0.956 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.528 6.857 0.096 1.00 0.00 H new ATOM 0 HG LEU A 67 7.889 5.201 1.266 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.198 4.259 -0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.857 5.960 0.138 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.560 5.538 -1.442 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.523 3.437 -0.338 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.975 4.685 -1.523 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.879 4.538 0.002 1.00 0.00 H new ATOM 552 N HIS A 68 7.533 6.779 3.189 1.00 0.00 N ATOM 553 CA HIS A 68 7.861 6.346 4.543 1.00 0.00 C ATOM 554 C HIS A 68 7.567 4.860 4.725 1.00 0.00 C ATOM 555 O HIS A 68 6.408 4.443 4.730 1.00 0.00 O ATOM 556 CB HIS A 68 7.073 7.163 5.567 1.00 0.00 C ATOM 557 CG HIS A 68 7.696 7.179 6.929 1.00 0.00 C ATOM 558 ND1 HIS A 68 7.554 6.148 7.834 1.00 0.00 N ATOM 559 CD2 HIS A 68 8.470 8.107 7.538 1.00 0.00 C ATOM 560 CE1 HIS A 68 8.211 6.442 8.941 1.00 0.00 C ATOM 561 NE2 HIS A 68 8.777 7.626 8.787 1.00 0.00 N ATOM 0 H HIS A 68 6.612 6.485 2.864 1.00 0.00 H new ATOM 0 HA HIS A 68 8.927 6.509 4.702 1.00 0.00 H new ATOM 0 HB2 HIS A 68 6.979 8.188 5.207 1.00 0.00 H new ATOM 0 HB3 HIS A 68 6.064 6.758 5.643 1.00 0.00 H new ATOM 0 HD2 HIS A 68 8.787 9.051 7.119 1.00 0.00 H new ATOM 0 HE1 HIS A 68 8.275 5.821 9.822 1.00 0.00 H new ATOM 0 HE2 HIS A 68 9.349 8.105 9.483 1.00 0.00 H new ATOM 570 N TYR A 69 8.622 4.067 4.873 1.00 0.00 N ATOM 571 CA TYR A 69 8.477 2.627 5.051 1.00 0.00 C ATOM 572 C TYR A 69 9.138 2.170 6.348 1.00 0.00 C ATOM 573 O TYR A 69 10.336 1.889 6.398 1.00 0.00 O ATOM 574 CB TYR A 69 9.086 1.881 3.864 1.00 0.00 C ATOM 575 CG TYR A 69 8.497 0.506 3.645 1.00 0.00 C ATOM 576 CD1 TYR A 69 7.121 0.312 3.633 1.00 0.00 C ATOM 577 CD2 TYR A 69 9.316 -0.600 3.453 1.00 0.00 C ATOM 578 CE1 TYR A 69 6.578 -0.942 3.435 1.00 0.00 C ATOM 579 CE2 TYR A 69 8.781 -1.858 3.252 1.00 0.00 C ATOM 580 CZ TYR A 69 7.412 -2.024 3.244 1.00 0.00 C ATOM 581 OH TYR A 69 6.876 -3.276 3.046 1.00 0.00 O ATOM 0 H TYR A 69 9.587 4.397 4.873 1.00 0.00 H new ATOM 0 HA TYR A 69 7.413 2.398 5.107 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.945 2.475 2.961 1.00 0.00 H new ATOM 0 HB3 TYR A 69 10.161 1.786 4.018 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.465 1.157 3.781 1.00 0.00 H new ATOM 0 HD2 TYR A 69 10.389 -0.474 3.461 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.506 -1.075 3.430 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.432 -2.707 3.102 1.00 0.00 H new ATOM 0 HH TYR A 69 7.519 -3.834 2.560 1.00 0.00 H new ATOM 591 N PRO A 70 8.340 2.092 7.423 1.00 0.00 N ATOM 592 CA PRO A 70 8.824 1.668 8.740 1.00 0.00 C ATOM 593 C PRO A 70 9.182 0.186 8.776 1.00 0.00 C ATOM 594 O PRO A 70 8.510 -0.639 8.157 1.00 0.00 O ATOM 595 CB PRO A 70 7.638 1.955 9.663 1.00 0.00 C ATOM 596 CG PRO A 70 6.444 1.903 8.774 1.00 0.00 C ATOM 597 CD PRO A 70 6.902 2.412 7.435 1.00 0.00 C ATOM 0 HA PRO A 70 9.739 2.188 9.025 1.00 0.00 H new ATOM 0 HB2 PRO A 70 7.570 1.216 10.461 1.00 0.00 H new ATOM 0 HB3 PRO A 70 7.734 2.931 10.140 1.00 0.00 H new ATOM 0 HG2 PRO A 70 6.061 0.886 8.694 1.00 0.00 H new ATOM 0 HG3 PRO A 70 5.636 2.518 9.170 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.374 1.922 6.617 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.728 3.483 7.331 1.00 0.00 H new ATOM 605 N ILE A 71 10.242 -0.144 9.505 1.00 0.00 N ATOM 606 CA ILE A 71 10.687 -1.527 9.623 1.00 0.00 C ATOM 607 C ILE A 71 11.225 -1.815 11.021 1.00 0.00 C ATOM 608 O ILE A 71 12.073 -1.084 11.533 1.00 0.00 O ATOM 609 CB ILE A 71 11.778 -1.858 8.588 1.00 0.00 C ATOM 610 CG1 ILE A 71 11.300 -1.499 7.179 1.00 0.00 C ATOM 611 CG2 ILE A 71 12.154 -3.330 8.667 1.00 0.00 C ATOM 612 CD1 ILE A 71 10.298 -2.481 6.613 1.00 0.00 C ATOM 0 H ILE A 71 10.809 0.527 10.023 1.00 0.00 H new ATOM 0 HA ILE A 71 9.816 -2.155 9.435 1.00 0.00 H new ATOM 0 HB ILE A 71 12.664 -1.265 8.813 1.00 0.00 H new ATOM 0 HG12 ILE A 71 10.852 -0.505 7.198 1.00 0.00 H new ATOM 0 HG13 ILE A 71 12.162 -1.447 6.514 1.00 0.00 H new ATOM 0 HG21 ILE A 71 12.926 -3.548 7.929 1.00 0.00 H new ATOM 0 HG22 ILE A 71 12.531 -3.556 9.664 1.00 0.00 H new ATOM 0 HG23 ILE A 71 11.275 -3.942 8.464 1.00 0.00 H new ATOM 0 HD11 ILE A 71 10.003 -2.164 5.613 1.00 0.00 H new ATOM 0 HD12 ILE A 71 10.749 -3.472 6.562 1.00 0.00 H new ATOM 0 HD13 ILE A 71 9.419 -2.515 7.256 1.00 0.00 H new ATOM 624 N ASP A 72 10.727 -2.884 11.632 1.00 0.00 N ATOM 625 CA ASP A 72 11.160 -3.271 12.970 1.00 0.00 C ATOM 626 C ASP A 72 12.676 -3.431 13.026 1.00 0.00 C ATOM 627 O ASP A 72 13.300 -3.865 12.057 1.00 0.00 O ATOM 628 CB ASP A 72 10.480 -4.575 13.392 1.00 0.00 C ATOM 629 CG ASP A 72 9.164 -4.337 14.105 1.00 0.00 C ATOM 630 OD1 ASP A 72 9.129 -3.484 15.016 1.00 0.00 O ATOM 631 OD2 ASP A 72 8.169 -5.004 13.752 1.00 0.00 O ATOM 0 H ASP A 72 10.023 -3.498 11.222 1.00 0.00 H new ATOM 0 HA ASP A 72 10.871 -2.480 13.662 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.306 -5.192 12.511 1.00 0.00 H new ATOM 0 HB3 ASP A 72 11.148 -5.135 14.046 1.00 0.00 H new ATOM 636 N SER A 73 13.262 -3.078 14.165 1.00 0.00 N ATOM 637 CA SER A 73 14.705 -3.178 14.346 1.00 0.00 C ATOM 638 C SER A 73 15.092 -4.557 14.872 1.00 0.00 C ATOM 639 O SER A 73 16.266 -4.931 14.863 1.00 0.00 O ATOM 640 CB SER A 73 15.196 -2.096 15.309 1.00 0.00 C ATOM 641 OG SER A 73 14.761 -2.354 16.632 1.00 0.00 O ATOM 0 H SER A 73 12.759 -2.720 14.977 1.00 0.00 H new ATOM 0 HA SER A 73 15.179 -3.032 13.375 1.00 0.00 H new ATOM 0 HB2 SER A 73 16.285 -2.049 15.284 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.828 -1.123 14.985 1.00 0.00 H new ATOM 0 HG SER A 73 15.090 -1.649 17.228 1.00 0.00 H new ATOM 647 N LEU A 74 14.098 -5.309 15.331 1.00 0.00 N ATOM 648 CA LEU A 74 14.332 -6.647 15.862 1.00 0.00 C ATOM 649 C LEU A 74 14.002 -7.712 14.821 1.00 0.00 C ATOM 650 O LEU A 74 14.817 -8.589 14.534 1.00 0.00 O ATOM 651 CB LEU A 74 13.493 -6.871 17.121 1.00 0.00 C ATOM 652 CG LEU A 74 13.692 -5.860 18.250 1.00 0.00 C ATOM 653 CD1 LEU A 74 12.562 -5.959 19.263 1.00 0.00 C ATOM 654 CD2 LEU A 74 15.038 -6.075 18.928 1.00 0.00 C ATOM 0 H LEU A 74 13.122 -5.015 15.346 1.00 0.00 H new ATOM 0 HA LEU A 74 15.388 -6.730 16.117 1.00 0.00 H new ATOM 0 HB2 LEU A 74 12.441 -6.866 16.837 1.00 0.00 H new ATOM 0 HB3 LEU A 74 13.714 -7.866 17.508 1.00 0.00 H new ATOM 0 HG LEU A 74 13.679 -4.859 17.820 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.722 -5.231 20.059 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.612 -5.754 18.769 1.00 0.00 H new ATOM 0 HD13 LEU A 74 12.541 -6.963 19.688 1.00 0.00 H new ATOM 0 HD21 LEU A 74 15.162 -5.346 19.729 1.00 0.00 H new ATOM 0 HD22 LEU A 74 15.079 -7.082 19.344 1.00 0.00 H new ATOM 0 HD23 LEU A 74 15.837 -5.951 18.197 1.00 0.00 H new ATOM 666 N THR A 75 12.802 -7.627 14.255 1.00 0.00 N ATOM 667 CA THR A 75 12.365 -8.582 13.245 1.00 0.00 C ATOM 668 C THR A 75 12.906 -8.213 11.869 1.00 0.00 C ATOM 669 O THR A 75 13.055 -9.070 10.998 1.00 0.00 O ATOM 670 CB THR A 75 10.828 -8.662 13.176 1.00 0.00 C ATOM 671 OG1 THR A 75 10.302 -7.473 12.577 1.00 0.00 O ATOM 672 CG2 THR A 75 10.233 -8.844 14.564 1.00 0.00 C ATOM 0 H THR A 75 12.116 -6.906 14.479 1.00 0.00 H new ATOM 0 HA THR A 75 12.759 -9.555 13.538 1.00 0.00 H new ATOM 0 HB THR A 75 10.558 -9.525 12.567 1.00 0.00 H new ATOM 0 HG1 THR A 75 9.356 -7.378 12.815 1.00 0.00 H new ATOM 0 HG21 THR A 75 9.147 -8.898 14.490 1.00 0.00 H new ATOM 0 HG22 THR A 75 10.613 -9.766 15.005 1.00 0.00 H new ATOM 0 HG23 THR A 75 10.512 -7.999 15.193 1.00 0.00 H new ATOM 680 N LYS A 76 13.198 -6.931 11.678 1.00 0.00 N ATOM 681 CA LYS A 76 13.725 -6.447 10.407 1.00 0.00 C ATOM 682 C LYS A 76 12.661 -6.513 9.317 1.00 0.00 C ATOM 683 O LYS A 76 12.963 -6.788 8.155 1.00 0.00 O ATOM 684 CB LYS A 76 14.947 -7.269 9.992 1.00 0.00 C ATOM 685 CG LYS A 76 15.930 -7.511 11.124 1.00 0.00 C ATOM 686 CD LYS A 76 16.824 -6.305 11.355 1.00 0.00 C ATOM 687 CE LYS A 76 18.150 -6.705 11.984 1.00 0.00 C ATOM 688 NZ LYS A 76 18.047 -6.828 13.464 1.00 0.00 N ATOM 0 H LYS A 76 13.079 -6.208 12.387 1.00 0.00 H new ATOM 0 HA LYS A 76 14.022 -5.406 10.538 1.00 0.00 H new ATOM 0 HB2 LYS A 76 14.612 -8.230 9.601 1.00 0.00 H new ATOM 0 HB3 LYS A 76 15.461 -6.756 9.179 1.00 0.00 H new ATOM 0 HG2 LYS A 76 15.383 -7.740 12.039 1.00 0.00 H new ATOM 0 HG3 LYS A 76 16.544 -8.381 10.893 1.00 0.00 H new ATOM 0 HD2 LYS A 76 17.008 -5.800 10.407 1.00 0.00 H new ATOM 0 HD3 LYS A 76 16.314 -5.591 12.002 1.00 0.00 H new ATOM 0 HE2 LYS A 76 18.480 -7.655 11.563 1.00 0.00 H new ATOM 0 HE3 LYS A 76 18.909 -5.964 11.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 18.980 -6.662 13.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 17.371 -6.125 13.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 17.717 -7.783 13.711 1.00 0.00 H new ATOM 702 N LYS A 77 11.414 -6.257 9.697 1.00 0.00 N ATOM 703 CA LYS A 77 10.304 -6.284 8.752 1.00 0.00 C ATOM 704 C LYS A 77 9.259 -5.232 9.109 1.00 0.00 C ATOM 705 O LYS A 77 9.128 -4.818 10.261 1.00 0.00 O ATOM 706 CB LYS A 77 9.659 -7.672 8.730 1.00 0.00 C ATOM 707 CG LYS A 77 8.564 -7.850 9.767 1.00 0.00 C ATOM 708 CD LYS A 77 7.825 -9.164 9.577 1.00 0.00 C ATOM 709 CE LYS A 77 8.787 -10.312 9.318 1.00 0.00 C ATOM 710 NZ LYS A 77 8.088 -11.627 9.289 1.00 0.00 N ATOM 0 H LYS A 77 11.146 -6.028 10.654 1.00 0.00 H new ATOM 0 HA LYS A 77 10.698 -6.057 7.761 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.243 -7.854 7.739 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.430 -8.424 8.895 1.00 0.00 H new ATOM 0 HG2 LYS A 77 8.999 -7.817 10.766 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.859 -7.022 9.699 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.230 -9.380 10.465 1.00 0.00 H new ATOM 0 HD3 LYS A 77 7.130 -9.075 8.742 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.297 -10.151 8.368 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.553 -10.325 10.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 8.779 -12.383 9.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 7.622 -11.793 10.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 7.374 -11.624 8.533 1.00 0.00 H new ATOM 724 N PRO A 78 8.495 -4.788 8.100 1.00 0.00 N ATOM 725 CA PRO A 78 7.447 -3.781 8.284 1.00 0.00 C ATOM 726 C PRO A 78 6.259 -4.317 9.076 1.00 0.00 C ATOM 727 O PRO A 78 5.984 -5.517 9.066 1.00 0.00 O ATOM 728 CB PRO A 78 7.025 -3.442 6.852 1.00 0.00 C ATOM 729 CG PRO A 78 7.366 -4.656 6.059 1.00 0.00 C ATOM 730 CD PRO A 78 8.596 -5.237 6.701 1.00 0.00 C ATOM 0 HA PRO A 78 7.803 -2.922 8.853 1.00 0.00 H new ATOM 0 HB2 PRO A 78 5.960 -3.219 6.796 1.00 0.00 H new ATOM 0 HB3 PRO A 78 7.555 -2.565 6.480 1.00 0.00 H new ATOM 0 HG2 PRO A 78 6.545 -5.373 6.069 1.00 0.00 H new ATOM 0 HG3 PRO A 78 7.553 -4.401 5.016 1.00 0.00 H new ATOM 0 HD2 PRO A 78 8.612 -6.324 6.628 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.507 -4.872 6.227 1.00 0.00 H new ATOM 738 N LYS A 79 5.558 -3.421 9.763 1.00 0.00 N ATOM 739 CA LYS A 79 4.399 -3.803 10.560 1.00 0.00 C ATOM 740 C LYS A 79 3.170 -3.994 9.676 1.00 0.00 C ATOM 741 O LYS A 79 2.164 -4.554 10.108 1.00 0.00 O ATOM 742 CB LYS A 79 4.114 -2.742 11.625 1.00 0.00 C ATOM 743 CG LYS A 79 5.199 -2.636 12.683 1.00 0.00 C ATOM 744 CD LYS A 79 6.268 -1.632 12.286 1.00 0.00 C ATOM 745 CE LYS A 79 7.388 -1.575 13.315 1.00 0.00 C ATOM 746 NZ LYS A 79 8.563 -0.810 12.813 1.00 0.00 N ATOM 0 H LYS A 79 5.773 -2.424 9.783 1.00 0.00 H new ATOM 0 HA LYS A 79 4.623 -4.750 11.051 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.996 -1.774 11.139 1.00 0.00 H new ATOM 0 HB3 LYS A 79 3.166 -2.972 12.111 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.754 -2.339 13.633 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.656 -3.614 12.836 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.679 -1.902 11.313 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.820 -0.644 12.179 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.018 -1.113 14.230 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.697 -2.588 13.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.378 -0.975 13.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.796 -1.125 11.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 8.337 0.205 12.801 1.00 0.00 H new ATOM 760 N GLY A 80 3.261 -3.525 8.435 1.00 0.00 N ATOM 761 CA GLY A 80 2.150 -3.655 7.510 1.00 0.00 C ATOM 762 C GLY A 80 1.463 -2.332 7.239 1.00 0.00 C ATOM 763 O GLY A 80 0.258 -2.288 6.992 1.00 0.00 O ATOM 0 H GLY A 80 4.084 -3.058 8.054 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.511 -4.073 6.570 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.425 -4.361 7.915 1.00 0.00 H new ATOM 767 N PHE A 81 2.232 -1.248 7.285 1.00 0.00 N ATOM 768 CA PHE A 81 1.690 0.084 7.045 1.00 0.00 C ATOM 769 C PHE A 81 2.790 1.049 6.612 1.00 0.00 C ATOM 770 O PHE A 81 3.968 0.830 6.893 1.00 0.00 O ATOM 771 CB PHE A 81 0.999 0.612 8.304 1.00 0.00 C ATOM 772 CG PHE A 81 1.861 0.546 9.533 1.00 0.00 C ATOM 773 CD1 PHE A 81 3.038 1.273 9.609 1.00 0.00 C ATOM 774 CD2 PHE A 81 1.494 -0.243 10.611 1.00 0.00 C ATOM 775 CE1 PHE A 81 3.833 1.215 10.738 1.00 0.00 C ATOM 776 CE2 PHE A 81 2.285 -0.304 11.743 1.00 0.00 C ATOM 777 CZ PHE A 81 3.456 0.425 11.806 1.00 0.00 C ATOM 0 H PHE A 81 3.232 -1.267 7.486 1.00 0.00 H new ATOM 0 HA PHE A 81 0.958 0.011 6.241 1.00 0.00 H new ATOM 0 HB2 PHE A 81 0.697 1.646 8.137 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.089 0.038 8.477 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.338 1.892 8.776 1.00 0.00 H new ATOM 0 HD2 PHE A 81 0.580 -0.817 10.566 1.00 0.00 H new ATOM 0 HE1 PHE A 81 4.748 1.787 10.785 1.00 0.00 H new ATOM 0 HE2 PHE A 81 1.987 -0.921 12.578 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.076 0.377 12.689 1.00 0.00 H new ATOM 787 N ALA A 82 2.396 2.117 5.927 1.00 0.00 N ATOM 788 CA ALA A 82 3.347 3.116 5.456 1.00 0.00 C ATOM 789 C ALA A 82 2.646 4.431 5.130 1.00 0.00 C ATOM 790 O ALA A 82 1.422 4.529 5.209 1.00 0.00 O ATOM 791 CB ALA A 82 4.096 2.599 4.237 1.00 0.00 C ATOM 0 H ALA A 82 1.424 2.313 5.686 1.00 0.00 H new ATOM 0 HA ALA A 82 4.063 3.305 6.256 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.803 3.356 3.896 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.637 1.690 4.501 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.386 2.380 3.439 1.00 0.00 H new ATOM 797 N PHE A 83 3.431 5.439 4.764 1.00 0.00 N ATOM 798 CA PHE A 83 2.885 6.749 4.428 1.00 0.00 C ATOM 799 C PHE A 83 3.479 7.266 3.121 1.00 0.00 C ATOM 800 O PHE A 83 4.671 7.565 3.043 1.00 0.00 O ATOM 801 CB PHE A 83 3.161 7.745 5.556 1.00 0.00 C ATOM 802 CG PHE A 83 2.646 7.294 6.893 1.00 0.00 C ATOM 803 CD1 PHE A 83 1.315 7.469 7.233 1.00 0.00 C ATOM 804 CD2 PHE A 83 3.495 6.694 7.810 1.00 0.00 C ATOM 805 CE1 PHE A 83 0.838 7.054 8.462 1.00 0.00 C ATOM 806 CE2 PHE A 83 3.023 6.277 9.041 1.00 0.00 C ATOM 807 CZ PHE A 83 1.694 6.459 9.368 1.00 0.00 C ATOM 0 H PHE A 83 4.446 5.374 4.693 1.00 0.00 H new ATOM 0 HA PHE A 83 1.807 6.644 4.301 1.00 0.00 H new ATOM 0 HB2 PHE A 83 4.236 7.912 5.627 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.705 8.703 5.304 1.00 0.00 H new ATOM 0 HD1 PHE A 83 0.642 7.935 6.529 1.00 0.00 H new ATOM 0 HD2 PHE A 83 4.536 6.551 7.560 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -0.203 7.195 8.714 1.00 0.00 H new ATOM 0 HE2 PHE A 83 3.694 5.809 9.746 1.00 0.00 H new ATOM 0 HZ PHE A 83 1.325 6.137 10.330 1.00 0.00 H new ATOM 817 N VAL A 84 2.639 7.370 2.096 1.00 0.00 N ATOM 818 CA VAL A 84 3.079 7.851 0.792 1.00 0.00 C ATOM 819 C VAL A 84 2.541 9.249 0.512 1.00 0.00 C ATOM 820 O VAL A 84 1.336 9.492 0.596 1.00 0.00 O ATOM 821 CB VAL A 84 2.631 6.904 -0.337 1.00 0.00 C ATOM 822 CG1 VAL A 84 3.053 7.451 -1.692 1.00 0.00 C ATOM 823 CG2 VAL A 84 3.194 5.509 -0.117 1.00 0.00 C ATOM 0 H VAL A 84 1.649 7.127 2.144 1.00 0.00 H new ATOM 0 HA VAL A 84 4.168 7.883 0.818 1.00 0.00 H new ATOM 0 HB VAL A 84 1.543 6.838 -0.322 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.728 6.768 -2.477 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.596 8.428 -1.848 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.138 7.549 -1.723 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.867 4.853 -0.924 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.283 5.554 -0.104 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.836 5.118 0.835 1.00 0.00 H new ATOM 833 N THR A 85 3.441 10.169 0.178 1.00 0.00 N ATOM 834 CA THR A 85 3.057 11.544 -0.114 1.00 0.00 C ATOM 835 C THR A 85 3.369 11.906 -1.562 1.00 0.00 C ATOM 836 O THR A 85 4.441 11.586 -2.076 1.00 0.00 O ATOM 837 CB THR A 85 3.776 12.538 0.817 1.00 0.00 C ATOM 838 OG1 THR A 85 3.839 12.007 2.146 1.00 0.00 O ATOM 839 CG2 THR A 85 3.057 13.879 0.836 1.00 0.00 C ATOM 0 H THR A 85 4.442 9.986 0.103 1.00 0.00 H new ATOM 0 HA THR A 85 1.982 11.614 0.052 1.00 0.00 H new ATOM 0 HB THR A 85 4.787 12.690 0.438 1.00 0.00 H new ATOM 0 HG1 THR A 85 4.299 12.644 2.731 1.00 0.00 H new ATOM 0 HG21 THR A 85 3.583 14.565 1.500 1.00 0.00 H new ATOM 0 HG22 THR A 85 3.036 14.295 -0.171 1.00 0.00 H new ATOM 0 HG23 THR A 85 2.037 13.740 1.193 1.00 0.00 H new ATOM 847 N PHE A 86 2.425 12.576 -2.216 1.00 0.00 N ATOM 848 CA PHE A 86 2.599 12.981 -3.606 1.00 0.00 C ATOM 849 C PHE A 86 2.751 14.495 -3.715 1.00 0.00 C ATOM 850 O PHE A 86 2.152 15.247 -2.947 1.00 0.00 O ATOM 851 CB PHE A 86 1.410 12.514 -4.448 1.00 0.00 C ATOM 852 CG PHE A 86 1.300 11.020 -4.554 1.00 0.00 C ATOM 853 CD1 PHE A 86 0.900 10.263 -3.465 1.00 0.00 C ATOM 854 CD2 PHE A 86 1.598 10.373 -5.743 1.00 0.00 C ATOM 855 CE1 PHE A 86 0.797 8.888 -3.560 1.00 0.00 C ATOM 856 CE2 PHE A 86 1.497 8.998 -5.843 1.00 0.00 C ATOM 857 CZ PHE A 86 1.097 8.255 -4.750 1.00 0.00 C ATOM 0 H PHE A 86 1.532 12.850 -1.806 1.00 0.00 H new ATOM 0 HA PHE A 86 3.508 12.514 -3.984 1.00 0.00 H new ATOM 0 HB2 PHE A 86 0.491 12.908 -4.014 1.00 0.00 H new ATOM 0 HB3 PHE A 86 1.496 12.936 -5.449 1.00 0.00 H new ATOM 0 HD1 PHE A 86 0.666 10.753 -2.531 1.00 0.00 H new ATOM 0 HD2 PHE A 86 1.912 10.949 -6.601 1.00 0.00 H new ATOM 0 HE1 PHE A 86 0.482 8.309 -2.704 1.00 0.00 H new ATOM 0 HE2 PHE A 86 1.731 8.505 -6.775 1.00 0.00 H new ATOM 0 HZ PHE A 86 1.019 7.180 -4.826 1.00 0.00 H new ATOM 867 N MET A 87 3.558 14.935 -4.676 1.00 0.00 N ATOM 868 CA MET A 87 3.789 16.359 -4.887 1.00 0.00 C ATOM 869 C MET A 87 2.517 17.051 -5.367 1.00 0.00 C ATOM 870 O MET A 87 2.157 18.121 -4.876 1.00 0.00 O ATOM 871 CB MET A 87 4.913 16.570 -5.903 1.00 0.00 C ATOM 872 CG MET A 87 6.289 16.696 -5.269 1.00 0.00 C ATOM 873 SD MET A 87 7.623 16.337 -6.428 1.00 0.00 S ATOM 874 CE MET A 87 7.494 14.555 -6.551 1.00 0.00 C ATOM 0 H MET A 87 4.062 14.326 -5.320 1.00 0.00 H new ATOM 0 HA MET A 87 4.083 16.799 -3.934 1.00 0.00 H new ATOM 0 HB2 MET A 87 4.920 15.735 -6.604 1.00 0.00 H new ATOM 0 HB3 MET A 87 4.705 17.470 -6.482 1.00 0.00 H new ATOM 0 HG2 MET A 87 6.414 17.706 -4.879 1.00 0.00 H new ATOM 0 HG3 MET A 87 6.357 16.016 -4.420 1.00 0.00 H new ATOM 0 HE1 MET A 87 7.668 14.248 -7.582 1.00 0.00 H new ATOM 0 HE2 MET A 87 8.238 14.091 -5.903 1.00 0.00 H new ATOM 0 HE3 MET A 87 6.497 14.240 -6.242 1.00 0.00 H new ATOM 884 N PHE A 88 1.841 16.434 -6.331 1.00 0.00 N ATOM 885 CA PHE A 88 0.610 16.991 -6.878 1.00 0.00 C ATOM 886 C PHE A 88 -0.606 16.206 -6.394 1.00 0.00 C ATOM 887 O PHE A 88 -0.578 14.980 -6.276 1.00 0.00 O ATOM 888 CB PHE A 88 0.659 16.986 -8.408 1.00 0.00 C ATOM 889 CG PHE A 88 1.668 17.940 -8.979 1.00 0.00 C ATOM 890 CD1 PHE A 88 1.450 19.308 -8.936 1.00 0.00 C ATOM 891 CD2 PHE A 88 2.836 17.470 -9.557 1.00 0.00 C ATOM 892 CE1 PHE A 88 2.377 20.188 -9.461 1.00 0.00 C ATOM 893 CE2 PHE A 88 3.767 18.345 -10.084 1.00 0.00 C ATOM 894 CZ PHE A 88 3.537 19.706 -10.035 1.00 0.00 C ATOM 0 H PHE A 88 2.125 15.548 -6.749 1.00 0.00 H new ATOM 0 HA PHE A 88 0.519 18.019 -6.527 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.889 15.978 -8.753 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -0.328 17.239 -8.796 1.00 0.00 H new ATOM 0 HD1 PHE A 88 0.545 19.691 -8.487 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.021 16.407 -9.596 1.00 0.00 H new ATOM 0 HE1 PHE A 88 2.195 21.252 -9.423 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.673 17.965 -10.533 1.00 0.00 H new ATOM 0 HZ PHE A 88 4.263 20.392 -10.445 1.00 0.00 H new ATOM 904 N PRO A 89 -1.699 16.927 -6.107 1.00 0.00 N ATOM 905 CA PRO A 89 -2.946 16.319 -5.631 1.00 0.00 C ATOM 906 C PRO A 89 -3.646 15.507 -6.715 1.00 0.00 C ATOM 907 O PRO A 89 -4.113 14.397 -6.467 1.00 0.00 O ATOM 908 CB PRO A 89 -3.798 17.525 -5.231 1.00 0.00 C ATOM 909 CG PRO A 89 -3.276 18.649 -6.057 1.00 0.00 C ATOM 910 CD PRO A 89 -1.804 18.391 -6.225 1.00 0.00 C ATOM 0 HA PRO A 89 -2.772 15.615 -4.818 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -4.855 17.346 -5.429 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -3.705 17.740 -4.166 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -3.778 18.689 -7.024 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -3.451 19.607 -5.567 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.442 18.743 -7.191 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -1.217 18.899 -5.460 1.00 0.00 H new ATOM 918 N GLU A 90 -3.714 16.070 -7.918 1.00 0.00 N ATOM 919 CA GLU A 90 -4.358 15.397 -9.040 1.00 0.00 C ATOM 920 C GLU A 90 -3.908 13.942 -9.133 1.00 0.00 C ATOM 921 O GLU A 90 -4.729 13.032 -9.248 1.00 0.00 O ATOM 922 CB GLU A 90 -4.044 16.125 -10.349 1.00 0.00 C ATOM 923 CG GLU A 90 -2.558 16.218 -10.652 1.00 0.00 C ATOM 924 CD GLU A 90 -2.229 17.338 -11.619 1.00 0.00 C ATOM 925 OE1 GLU A 90 -2.836 18.422 -11.499 1.00 0.00 O ATOM 926 OE2 GLU A 90 -1.365 17.130 -12.497 1.00 0.00 O ATOM 0 H GLU A 90 -3.332 16.989 -8.140 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.435 15.416 -8.872 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.542 15.610 -11.170 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -4.461 17.131 -10.304 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -2.010 16.373 -9.722 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.216 15.271 -11.069 1.00 0.00 H new ATOM 933 N HIS A 91 -2.596 13.731 -9.085 1.00 0.00 N ATOM 934 CA HIS A 91 -2.035 12.387 -9.164 1.00 0.00 C ATOM 935 C HIS A 91 -2.364 11.586 -7.907 1.00 0.00 C ATOM 936 O HIS A 91 -2.752 10.421 -7.986 1.00 0.00 O ATOM 937 CB HIS A 91 -0.520 12.454 -9.357 1.00 0.00 C ATOM 938 CG HIS A 91 -0.098 13.373 -10.462 1.00 0.00 C ATOM 939 ND1 HIS A 91 0.951 14.260 -10.344 1.00 0.00 N ATOM 940 CD2 HIS A 91 -0.588 13.537 -11.713 1.00 0.00 C ATOM 941 CE1 HIS A 91 1.086 14.932 -11.474 1.00 0.00 C ATOM 942 NE2 HIS A 91 0.164 14.512 -12.321 1.00 0.00 N ATOM 0 H HIS A 91 -1.902 14.473 -8.992 1.00 0.00 H new ATOM 0 HA HIS A 91 -2.481 11.884 -10.022 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -0.057 12.782 -8.426 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -0.144 11.452 -9.565 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -1.417 13.001 -12.152 1.00 0.00 H new ATOM 0 HE1 HIS A 91 1.825 15.695 -11.671 1.00 0.00 H new ATOM 0 HE2 HIS A 91 0.032 14.856 -13.272 1.00 0.00 H new ATOM 951 N ALA A 92 -2.205 12.219 -6.750 1.00 0.00 N ATOM 952 CA ALA A 92 -2.487 11.566 -5.477 1.00 0.00 C ATOM 953 C ALA A 92 -3.909 11.017 -5.445 1.00 0.00 C ATOM 954 O ALA A 92 -4.194 10.045 -4.744 1.00 0.00 O ATOM 955 CB ALA A 92 -2.267 12.536 -4.326 1.00 0.00 C ATOM 0 H ALA A 92 -1.882 13.183 -6.667 1.00 0.00 H new ATOM 0 HA ALA A 92 -1.799 10.727 -5.367 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.481 12.035 -3.382 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -1.231 12.876 -4.330 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -2.931 13.393 -4.441 1.00 0.00 H new ATOM 961 N VAL A 93 -4.799 11.645 -6.206 1.00 0.00 N ATOM 962 CA VAL A 93 -6.192 11.219 -6.265 1.00 0.00 C ATOM 963 C VAL A 93 -6.353 9.987 -7.149 1.00 0.00 C ATOM 964 O VAL A 93 -6.901 8.971 -6.722 1.00 0.00 O ATOM 965 CB VAL A 93 -7.100 12.342 -6.798 1.00 0.00 C ATOM 966 CG1 VAL A 93 -8.533 11.850 -6.938 1.00 0.00 C ATOM 967 CG2 VAL A 93 -7.033 13.559 -5.888 1.00 0.00 C ATOM 0 H VAL A 93 -4.580 12.451 -6.791 1.00 0.00 H new ATOM 0 HA VAL A 93 -6.491 10.973 -5.246 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.743 12.635 -7.786 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -9.160 12.658 -7.316 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -8.563 11.011 -7.633 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -8.904 11.528 -5.965 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -7.681 14.343 -6.280 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.363 13.283 -4.886 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -6.007 13.925 -5.844 1.00 0.00 H new ATOM 977 N LYS A 94 -5.871 10.084 -8.383 1.00 0.00 N ATOM 978 CA LYS A 94 -5.959 8.978 -9.329 1.00 0.00 C ATOM 979 C LYS A 94 -5.503 7.673 -8.684 1.00 0.00 C ATOM 980 O LYS A 94 -6.129 6.629 -8.863 1.00 0.00 O ATOM 981 CB LYS A 94 -5.110 9.271 -10.568 1.00 0.00 C ATOM 982 CG LYS A 94 -5.063 8.120 -11.558 1.00 0.00 C ATOM 983 CD LYS A 94 -3.761 8.111 -12.342 1.00 0.00 C ATOM 984 CE LYS A 94 -3.715 6.960 -13.334 1.00 0.00 C ATOM 985 NZ LYS A 94 -4.356 7.318 -14.629 1.00 0.00 N ATOM 0 H LYS A 94 -5.415 10.918 -8.752 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.002 8.870 -9.628 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -5.506 10.154 -11.069 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.094 9.511 -10.254 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.174 7.176 -11.025 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -5.903 8.198 -12.248 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.649 9.056 -12.874 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -2.921 8.032 -11.652 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -2.678 6.673 -13.509 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.218 6.092 -12.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.304 6.507 -15.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -5.352 7.568 -14.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -3.860 8.130 -15.049 1.00 0.00 H new ATOM 999 N ALA A 95 -4.409 7.741 -7.931 1.00 0.00 N ATOM 1000 CA ALA A 95 -3.872 6.566 -7.257 1.00 0.00 C ATOM 1001 C ALA A 95 -4.805 6.096 -6.146 1.00 0.00 C ATOM 1002 O ALA A 95 -5.044 4.898 -5.988 1.00 0.00 O ATOM 1003 CB ALA A 95 -2.489 6.865 -6.696 1.00 0.00 C ATOM 0 H ALA A 95 -3.878 8.597 -7.773 1.00 0.00 H new ATOM 0 HA ALA A 95 -3.789 5.764 -7.990 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.100 5.978 -6.195 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.819 7.146 -7.509 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.556 7.685 -5.981 1.00 0.00 H new ATOM 1009 N TYR A 96 -5.328 7.045 -5.378 1.00 0.00 N ATOM 1010 CA TYR A 96 -6.233 6.727 -4.280 1.00 0.00 C ATOM 1011 C TYR A 96 -7.537 6.132 -4.803 1.00 0.00 C ATOM 1012 O TYR A 96 -8.241 5.424 -4.084 1.00 0.00 O ATOM 1013 CB TYR A 96 -6.526 7.981 -3.454 1.00 0.00 C ATOM 1014 CG TYR A 96 -7.850 7.930 -2.726 1.00 0.00 C ATOM 1015 CD1 TYR A 96 -8.126 6.918 -1.816 1.00 0.00 C ATOM 1016 CD2 TYR A 96 -8.826 8.894 -2.949 1.00 0.00 C ATOM 1017 CE1 TYR A 96 -9.335 6.867 -1.148 1.00 0.00 C ATOM 1018 CE2 TYR A 96 -10.037 8.852 -2.286 1.00 0.00 C ATOM 1019 CZ TYR A 96 -10.287 7.837 -1.386 1.00 0.00 C ATOM 1020 OH TYR A 96 -11.492 7.790 -0.724 1.00 0.00 O ATOM 0 H TYR A 96 -5.141 8.041 -5.495 1.00 0.00 H new ATOM 0 HA TYR A 96 -5.747 5.987 -3.645 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.726 8.122 -2.727 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -6.516 8.850 -4.112 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -7.383 6.157 -1.627 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -8.634 9.690 -3.653 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -9.533 6.073 -0.444 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -10.784 9.610 -2.471 1.00 0.00 H new ATOM 0 HH TYR A 96 -12.049 8.546 -1.004 1.00 0.00 H new ATOM 1030 N ALA A 97 -7.851 6.425 -6.060 1.00 0.00 N ATOM 1031 CA ALA A 97 -9.068 5.918 -6.682 1.00 0.00 C ATOM 1032 C ALA A 97 -8.874 4.491 -7.185 1.00 0.00 C ATOM 1033 O ALA A 97 -9.813 3.696 -7.198 1.00 0.00 O ATOM 1034 CB ALA A 97 -9.497 6.828 -7.823 1.00 0.00 C ATOM 0 H ALA A 97 -7.279 7.011 -6.668 1.00 0.00 H new ATOM 0 HA ALA A 97 -9.854 5.906 -5.927 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -10.407 6.437 -8.278 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -9.686 7.830 -7.438 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -8.706 6.870 -8.572 1.00 0.00 H new ATOM 1040 N GLU A 98 -7.651 4.176 -7.598 1.00 0.00 N ATOM 1041 CA GLU A 98 -7.336 2.845 -8.103 1.00 0.00 C ATOM 1042 C GLU A 98 -6.731 1.975 -7.005 1.00 0.00 C ATOM 1043 O GLU A 98 -7.264 0.916 -6.672 1.00 0.00 O ATOM 1044 CB GLU A 98 -6.368 2.939 -9.285 1.00 0.00 C ATOM 1045 CG GLU A 98 -6.936 3.690 -10.478 1.00 0.00 C ATOM 1046 CD GLU A 98 -7.758 2.800 -11.389 1.00 0.00 C ATOM 1047 OE1 GLU A 98 -8.691 2.139 -10.887 1.00 0.00 O ATOM 1048 OE2 GLU A 98 -7.470 2.765 -12.604 1.00 0.00 O ATOM 0 H GLU A 98 -6.863 4.823 -7.593 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.265 2.383 -8.439 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -5.454 3.433 -8.957 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -6.091 1.932 -9.598 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -7.557 4.513 -10.123 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -6.118 4.131 -11.048 1.00 0.00 H new ATOM 1055 N VAL A 99 -5.613 2.429 -6.447 1.00 0.00 N ATOM 1056 CA VAL A 99 -4.935 1.693 -5.386 1.00 0.00 C ATOM 1057 C VAL A 99 -5.930 1.181 -4.350 1.00 0.00 C ATOM 1058 O VAL A 99 -5.898 0.011 -3.969 1.00 0.00 O ATOM 1059 CB VAL A 99 -3.882 2.569 -4.681 1.00 0.00 C ATOM 1060 CG1 VAL A 99 -3.219 1.799 -3.549 1.00 0.00 C ATOM 1061 CG2 VAL A 99 -2.846 3.062 -5.680 1.00 0.00 C ATOM 0 H VAL A 99 -5.158 3.303 -6.712 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.437 0.846 -5.857 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.383 3.437 -4.253 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.478 2.433 -3.062 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.974 1.499 -2.822 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.729 0.912 -3.950 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.110 3.679 -5.166 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.347 2.208 -6.138 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -3.338 3.652 -6.453 1.00 0.00 H new ATOM 1071 N ASP A 100 -6.813 2.065 -3.898 1.00 0.00 N ATOM 1072 CA ASP A 100 -7.819 1.703 -2.907 1.00 0.00 C ATOM 1073 C ASP A 100 -8.635 0.502 -3.375 1.00 0.00 C ATOM 1074 O ASP A 100 -9.596 0.648 -4.129 1.00 0.00 O ATOM 1075 CB ASP A 100 -8.745 2.888 -2.631 1.00 0.00 C ATOM 1076 CG ASP A 100 -9.870 2.535 -1.679 1.00 0.00 C ATOM 1077 OD1 ASP A 100 -9.580 2.238 -0.501 1.00 0.00 O ATOM 1078 OD2 ASP A 100 -11.041 2.556 -2.112 1.00 0.00 O ATOM 0 H ASP A 100 -6.852 3.038 -4.203 1.00 0.00 H new ATOM 0 HA ASP A 100 -7.304 1.433 -1.985 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -8.164 3.710 -2.213 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -9.167 3.242 -3.572 1.00 0.00 H new ATOM 1083 N GLY A 101 -8.244 -0.686 -2.923 1.00 0.00 N ATOM 1084 CA GLY A 101 -8.949 -1.895 -3.307 1.00 0.00 C ATOM 1085 C GLY A 101 -8.169 -2.729 -4.303 1.00 0.00 C ATOM 1086 O GLY A 101 -8.755 -3.426 -5.131 1.00 0.00 O ATOM 0 H GLY A 101 -7.452 -0.832 -2.298 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.151 -2.492 -2.418 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.914 -1.628 -3.738 1.00 0.00 H new ATOM 1090 N GLN A 102 -6.845 -2.657 -4.225 1.00 0.00 N ATOM 1091 CA GLN A 102 -5.984 -3.410 -5.129 1.00 0.00 C ATOM 1092 C GLN A 102 -5.166 -4.446 -4.365 1.00 0.00 C ATOM 1093 O GLN A 102 -4.925 -4.302 -3.166 1.00 0.00 O ATOM 1094 CB GLN A 102 -5.051 -2.464 -5.886 1.00 0.00 C ATOM 1095 CG GLN A 102 -3.840 -2.027 -5.077 1.00 0.00 C ATOM 1096 CD GLN A 102 -2.777 -1.363 -5.930 1.00 0.00 C ATOM 1097 OE1 GLN A 102 -1.829 -0.697 -5.282 1.00 0.00 O flip ATOM 1098 NE2 GLN A 102 -2.807 -1.449 -7.158 1.00 0.00 N flip ATOM 0 H GLN A 102 -6.345 -2.085 -3.545 1.00 0.00 H new ATOM 0 HA GLN A 102 -6.620 -3.931 -5.845 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -4.711 -2.955 -6.797 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -5.612 -1.581 -6.191 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -4.159 -1.335 -4.297 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -3.410 -2.895 -4.577 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -3.555 -1.971 -7.615 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -2.084 -0.998 -7.719 1.00 0.00 H new ATOM 1107 N VAL A 103 -4.741 -5.492 -5.067 1.00 0.00 N ATOM 1108 CA VAL A 103 -3.949 -6.553 -4.455 1.00 0.00 C ATOM 1109 C VAL A 103 -2.474 -6.415 -4.816 1.00 0.00 C ATOM 1110 O VAL A 103 -2.126 -6.183 -5.974 1.00 0.00 O ATOM 1111 CB VAL A 103 -4.445 -7.945 -4.888 1.00 0.00 C ATOM 1112 CG1 VAL A 103 -3.588 -9.036 -4.264 1.00 0.00 C ATOM 1113 CG2 VAL A 103 -5.909 -8.128 -4.517 1.00 0.00 C ATOM 0 H VAL A 103 -4.932 -5.627 -6.060 1.00 0.00 H new ATOM 0 HA VAL A 103 -4.067 -6.454 -3.376 1.00 0.00 H new ATOM 0 HB VAL A 103 -4.356 -8.022 -5.972 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -3.954 -10.012 -4.582 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -2.553 -8.914 -4.585 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -3.642 -8.964 -3.178 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -6.243 -9.117 -4.830 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -6.026 -8.031 -3.438 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -6.509 -7.367 -5.017 1.00 0.00 H new ATOM 1123 N PHE A 104 -1.610 -6.560 -3.816 1.00 0.00 N ATOM 1124 CA PHE A 104 -0.171 -6.452 -4.028 1.00 0.00 C ATOM 1125 C PHE A 104 0.565 -7.609 -3.359 1.00 0.00 C ATOM 1126 O PHE A 104 0.792 -7.597 -2.150 1.00 0.00 O ATOM 1127 CB PHE A 104 0.347 -5.120 -3.483 1.00 0.00 C ATOM 1128 CG PHE A 104 1.737 -4.784 -3.942 1.00 0.00 C ATOM 1129 CD1 PHE A 104 2.031 -4.690 -5.292 1.00 0.00 C ATOM 1130 CD2 PHE A 104 2.750 -4.564 -3.022 1.00 0.00 C ATOM 1131 CE1 PHE A 104 3.310 -4.381 -5.718 1.00 0.00 C ATOM 1132 CE2 PHE A 104 4.030 -4.254 -3.442 1.00 0.00 C ATOM 1133 CZ PHE A 104 4.310 -4.164 -4.791 1.00 0.00 C ATOM 0 H PHE A 104 -1.881 -6.752 -2.852 1.00 0.00 H new ATOM 0 HA PHE A 104 0.018 -6.496 -5.101 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.331 -4.323 -3.789 1.00 0.00 H new ATOM 0 HB3 PHE A 104 0.330 -5.151 -2.394 1.00 0.00 H new ATOM 0 HD1 PHE A 104 1.252 -4.860 -6.021 1.00 0.00 H new ATOM 0 HD2 PHE A 104 2.537 -4.636 -1.966 1.00 0.00 H new ATOM 0 HE1 PHE A 104 3.526 -4.310 -6.774 1.00 0.00 H new ATOM 0 HE2 PHE A 104 4.810 -4.082 -2.715 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.310 -3.924 -5.121 1.00 0.00 H new ATOM 1143 N GLN A 105 0.935 -8.606 -4.156 1.00 0.00 N ATOM 1144 CA GLN A 105 1.645 -9.772 -3.641 1.00 0.00 C ATOM 1145 C GLN A 105 0.790 -10.527 -2.629 1.00 0.00 C ATOM 1146 O GLN A 105 1.268 -10.917 -1.565 1.00 0.00 O ATOM 1147 CB GLN A 105 2.965 -9.347 -2.996 1.00 0.00 C ATOM 1148 CG GLN A 105 3.963 -8.761 -3.981 1.00 0.00 C ATOM 1149 CD GLN A 105 5.366 -8.682 -3.412 1.00 0.00 C ATOM 1150 OE1 GLN A 105 5.775 -9.530 -2.618 1.00 0.00 O ATOM 1151 NE2 GLN A 105 6.113 -7.661 -3.817 1.00 0.00 N ATOM 0 H GLN A 105 0.755 -8.630 -5.160 1.00 0.00 H new ATOM 0 HA GLN A 105 1.856 -10.437 -4.478 1.00 0.00 H new ATOM 0 HB2 GLN A 105 2.759 -8.611 -2.219 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.415 -10.211 -2.506 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.975 -9.369 -4.885 1.00 0.00 H new ATOM 0 HG3 GLN A 105 3.637 -7.763 -4.273 1.00 0.00 H new ATOM 0 HE21 GLN A 105 5.734 -6.981 -4.476 1.00 0.00 H new ATOM 0 HE22 GLN A 105 7.066 -7.557 -3.469 1.00 0.00 H new ATOM 1160 N GLY A 106 -0.480 -10.729 -2.968 1.00 0.00 N ATOM 1161 CA GLY A 106 -1.382 -11.436 -2.078 1.00 0.00 C ATOM 1162 C GLY A 106 -1.741 -10.623 -0.851 1.00 0.00 C ATOM 1163 O GLY A 106 -2.083 -11.179 0.193 1.00 0.00 O ATOM 0 H GLY A 106 -0.900 -10.416 -3.843 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -2.293 -11.694 -2.619 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -0.920 -12.373 -1.767 1.00 0.00 H new ATOM 1167 N ARG A 107 -1.663 -9.302 -0.974 1.00 0.00 N ATOM 1168 CA ARG A 107 -1.979 -8.410 0.135 1.00 0.00 C ATOM 1169 C ARG A 107 -2.845 -7.245 -0.335 1.00 0.00 C ATOM 1170 O ARG A 107 -2.388 -6.381 -1.083 1.00 0.00 O ATOM 1171 CB ARG A 107 -0.695 -7.880 0.774 1.00 0.00 C ATOM 1172 CG ARG A 107 -0.157 -8.767 1.886 1.00 0.00 C ATOM 1173 CD ARG A 107 -1.044 -8.713 3.120 1.00 0.00 C ATOM 1174 NE ARG A 107 -0.682 -9.734 4.099 1.00 0.00 N ATOM 1175 CZ ARG A 107 -1.424 -10.029 5.161 1.00 0.00 C ATOM 1176 NH1 ARG A 107 -2.562 -9.386 5.378 1.00 0.00 N ATOM 1177 NH2 ARG A 107 -1.028 -10.971 6.007 1.00 0.00 N ATOM 0 H ARG A 107 -1.383 -8.826 -1.831 1.00 0.00 H new ATOM 0 HA ARG A 107 -2.537 -8.979 0.878 1.00 0.00 H new ATOM 0 HB2 ARG A 107 0.068 -7.775 0.003 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -0.883 -6.884 1.174 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -0.088 -9.795 1.531 1.00 0.00 H new ATOM 0 HG3 ARG A 107 0.853 -8.451 2.148 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -0.967 -7.727 3.579 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -2.085 -8.847 2.825 1.00 0.00 H new ATOM 0 HE ARG A 107 0.188 -10.249 3.960 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -2.871 -8.662 4.729 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -3.129 -9.615 6.194 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -0.153 -11.469 5.842 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -1.598 -11.197 6.822 1.00 0.00 H new ATOM 1191 N MET A 108 -4.098 -7.228 0.110 1.00 0.00 N ATOM 1192 CA MET A 108 -5.027 -6.168 -0.265 1.00 0.00 C ATOM 1193 C MET A 108 -4.598 -4.833 0.335 1.00 0.00 C ATOM 1194 O MET A 108 -4.565 -4.671 1.556 1.00 0.00 O ATOM 1195 CB MET A 108 -6.443 -6.516 0.196 1.00 0.00 C ATOM 1196 CG MET A 108 -7.234 -7.320 -0.823 1.00 0.00 C ATOM 1197 SD MET A 108 -9.003 -6.976 -0.758 1.00 0.00 S ATOM 1198 CE MET A 108 -9.058 -5.345 -1.496 1.00 0.00 C ATOM 0 H MET A 108 -4.493 -7.935 0.730 1.00 0.00 H new ATOM 0 HA MET A 108 -5.018 -6.078 -1.351 1.00 0.00 H new ATOM 0 HB2 MET A 108 -6.385 -7.081 1.126 1.00 0.00 H new ATOM 0 HB3 MET A 108 -6.981 -5.594 0.416 1.00 0.00 H new ATOM 0 HG2 MET A 108 -6.861 -7.099 -1.823 1.00 0.00 H new ATOM 0 HG3 MET A 108 -7.068 -8.383 -0.649 1.00 0.00 H new ATOM 0 HE1 MET A 108 -10.079 -5.119 -1.803 1.00 0.00 H new ATOM 0 HE2 MET A 108 -8.726 -4.605 -0.768 1.00 0.00 H new ATOM 0 HE3 MET A 108 -8.402 -5.317 -2.366 1.00 0.00 H new ATOM 1208 N LEU A 109 -4.270 -3.879 -0.530 1.00 0.00 N ATOM 1209 CA LEU A 109 -3.843 -2.557 -0.085 1.00 0.00 C ATOM 1210 C LEU A 109 -5.045 -1.649 0.155 1.00 0.00 C ATOM 1211 O LEU A 109 -5.865 -1.438 -0.739 1.00 0.00 O ATOM 1212 CB LEU A 109 -2.911 -1.926 -1.121 1.00 0.00 C ATOM 1213 CG LEU A 109 -1.679 -2.747 -1.504 1.00 0.00 C ATOM 1214 CD1 LEU A 109 -0.951 -2.103 -2.674 1.00 0.00 C ATOM 1215 CD2 LEU A 109 -0.746 -2.897 -0.311 1.00 0.00 C ATOM 0 H LEU A 109 -4.292 -3.996 -1.543 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.305 -2.673 0.856 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.487 -1.728 -2.025 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.576 -0.962 -0.739 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.009 -3.740 -1.810 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -0.077 -2.701 -2.932 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.620 -2.048 -3.533 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -0.634 -1.098 -2.396 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.125 -3.484 -0.602 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -0.424 -1.911 0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.270 -3.403 0.500 1.00 0.00 H new ATOM 1227 N HIS A 110 -5.141 -1.111 1.366 1.00 0.00 N ATOM 1228 CA HIS A 110 -6.241 -0.222 1.723 1.00 0.00 C ATOM 1229 C HIS A 110 -5.764 1.225 1.809 1.00 0.00 C ATOM 1230 O HIS A 110 -4.910 1.561 2.629 1.00 0.00 O ATOM 1231 CB HIS A 110 -6.857 -0.648 3.056 1.00 0.00 C ATOM 1232 CG HIS A 110 -7.553 -1.973 2.998 1.00 0.00 C ATOM 1233 ND1 HIS A 110 -7.390 -3.023 2.159 1.00 0.00 N flip ATOM 1234 CD2 HIS A 110 -8.552 -2.337 3.875 1.00 0.00 C flip ATOM 1235 CE1 HIS A 110 -8.283 -3.992 2.542 1.00 0.00 C flip ATOM 1236 NE2 HIS A 110 -8.973 -3.554 3.580 1.00 0.00 N flip ATOM 0 H HIS A 110 -4.471 -1.275 2.117 1.00 0.00 H new ATOM 0 HA HIS A 110 -6.999 -0.291 0.943 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -6.073 -0.692 3.812 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -7.568 0.113 3.378 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -8.932 -1.723 4.678 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -8.402 -4.957 2.071 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -9.706 -4.068 4.070 1.00 0.00 H new ATOM 1245 N VAL A 111 -6.322 2.078 0.956 1.00 0.00 N ATOM 1246 CA VAL A 111 -5.955 3.489 0.935 1.00 0.00 C ATOM 1247 C VAL A 111 -7.078 4.358 1.491 1.00 0.00 C ATOM 1248 O VAL A 111 -8.252 4.141 1.190 1.00 0.00 O ATOM 1249 CB VAL A 111 -5.615 3.960 -0.491 1.00 0.00 C ATOM 1250 CG1 VAL A 111 -4.981 5.342 -0.461 1.00 0.00 C ATOM 1251 CG2 VAL A 111 -4.698 2.959 -1.178 1.00 0.00 C ATOM 0 H VAL A 111 -7.030 1.816 0.270 1.00 0.00 H new ATOM 0 HA VAL A 111 -5.072 3.595 1.565 1.00 0.00 H new ATOM 0 HB VAL A 111 -6.540 4.024 -1.064 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.748 5.658 -1.478 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -5.676 6.051 -0.011 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -4.064 5.309 0.128 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -4.468 3.308 -2.185 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -3.774 2.861 -0.608 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -5.194 1.990 -1.234 1.00 0.00 H new ATOM 1261 N LEU A 112 -6.710 5.342 2.304 1.00 0.00 N ATOM 1262 CA LEU A 112 -7.687 6.245 2.903 1.00 0.00 C ATOM 1263 C LEU A 112 -7.210 7.692 2.824 1.00 0.00 C ATOM 1264 O LEU A 112 -6.041 8.000 3.057 1.00 0.00 O ATOM 1265 CB LEU A 112 -7.941 5.859 4.361 1.00 0.00 C ATOM 1266 CG LEU A 112 -9.148 6.518 5.029 1.00 0.00 C ATOM 1267 CD1 LEU A 112 -10.443 5.915 4.508 1.00 0.00 C ATOM 1268 CD2 LEU A 112 -9.063 6.378 6.542 1.00 0.00 C ATOM 0 H LEU A 112 -5.743 5.535 2.564 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.618 6.157 2.343 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -8.068 4.778 4.413 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.051 6.104 4.941 1.00 0.00 H new ATOM 0 HG LEU A 112 -9.141 7.579 4.781 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -11.291 6.397 4.995 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -10.508 6.068 3.431 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -10.460 4.847 4.724 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -9.930 6.853 7.001 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -9.044 5.321 6.809 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.153 6.859 6.901 1.00 0.00 H new ATOM 1280 N PRO A 113 -8.136 8.603 2.490 1.00 0.00 N ATOM 1281 CA PRO A 113 -7.834 10.033 2.376 1.00 0.00 C ATOM 1282 C PRO A 113 -7.549 10.675 3.729 1.00 0.00 C ATOM 1283 O PRO A 113 -8.310 10.502 4.681 1.00 0.00 O ATOM 1284 CB PRO A 113 -9.111 10.617 1.765 1.00 0.00 C ATOM 1285 CG PRO A 113 -10.189 9.667 2.160 1.00 0.00 C ATOM 1286 CD PRO A 113 -9.549 8.307 2.199 1.00 0.00 C ATOM 0 HA PRO A 113 -6.939 10.215 1.782 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -9.309 11.620 2.144 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -9.031 10.696 0.681 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -10.604 9.931 3.133 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -11.011 9.691 1.445 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -9.994 7.675 2.968 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -9.663 7.782 1.250 1.00 0.00 H new ATOM 1294 N SER A 114 -6.449 11.417 3.807 1.00 0.00 N ATOM 1295 CA SER A 114 -6.062 12.083 5.045 1.00 0.00 C ATOM 1296 C SER A 114 -6.482 13.549 5.028 1.00 0.00 C ATOM 1297 O SER A 114 -6.498 14.191 3.977 1.00 0.00 O ATOM 1298 CB SER A 114 -4.551 11.976 5.256 1.00 0.00 C ATOM 1299 OG SER A 114 -4.154 12.634 6.446 1.00 0.00 O ATOM 0 H SER A 114 -5.810 11.572 3.027 1.00 0.00 H new ATOM 0 HA SER A 114 -6.573 11.587 5.870 1.00 0.00 H new ATOM 0 HB2 SER A 114 -4.261 10.926 5.303 1.00 0.00 H new ATOM 0 HB3 SER A 114 -4.030 12.413 4.404 1.00 0.00 H new ATOM 0 HG SER A 114 -3.184 12.549 6.559 1.00 0.00 H new