USER MOD reduce.3.24.130724 H: found=0, std=0, add=1076, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1069 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 130 HIS : no HD1:sc= -2.32! C(o=-2.2!,f=-6.5!) USER MOD Set 1.2: A 139 HIS : no HE2:sc= 0.0714 K(o=-2.2,f=-4.4) USER MOD Set 2.1: A 59 LYS NZ :NH3+ 151:sc= 0.903 (180deg=0) USER MOD Set 2.2: A 129 TYR OH : rot 110:sc= 0.79 USER MOD Set 3.1: A 91 THR OG1 : rot 135:sc= 1.15 USER MOD Set 3.2: A 116 THR OG1 : rot 180:sc= 1.05 USER MOD Set 4.1: A 89 GLN : amide:sc= 0.439 K(o=0.53,f=-5.8!) USER MOD Set 4.2: A 117 THR OG1 : rot 180:sc= 0.0884 USER MOD Set 5.1: A 64 THR OG1 : rot -72:sc= 1.21 USER MOD Set 5.2: A 132 SER OG : rot -5:sc= 2.19 USER MOD Set 6.1: A 35 CYS SG : rot 180:sc= -0.855 USER MOD Set 6.2: A 96 GLN : amide:sc= -0.0241 K(o=-0.88,f=0.74) USER MOD Single : A 3 HIS : no HE2:sc= -0.57 K(o=-0.57,f=-1.1) USER MOD Single : A 7 TYR OH : rot -92:sc= 0.452 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.162 USER MOD Single : A 11 LYS NZ :NH3+ -167:sc= 1.23 (180deg=1.2) USER MOD Single : A 14 GLN : amide:sc= 1.67 K(o=1.7,f=-4.2!) USER MOD Single : A 16 ASN : amide:sc= -0.205 X(o=-0.21,f=-0.019) USER MOD Single : A 17 HIS : no HE2:sc= -0.699 X(o=-0.7,f=-0.6) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl -129:sc= -0.936 (180deg=-2.31) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -0.614 K(o=-0.61,f=-1.7) USER MOD Single : A 36 THR OG1 : rot -60:sc= 1.02 USER MOD Single : A 39 SER OG : rot 180:sc= 0.112 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 49 ASN : amide:sc= 0.756 K(o=0.76,f=-0.3) USER MOD Single : A 55 TYR OH : rot 40:sc= 0.0257 USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 CYS SG : rot 180:sc= 0.0384 USER MOD Single : A 68 TYR OH : rot 65:sc= 0.633 USER MOD Single : A 73 GLN : amide:sc= -0.0768 X(o=-0.077,f=-0.019) USER MOD Single : A 74 MET CE :methyl 175:sc= -1.45 (180deg=-1.56) USER MOD Single : A 84 CYS SG : rot 149:sc= -1.2! USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl -179:sc= -0.581 (180deg=-0.585) USER MOD Single : A 88 TYR OH : rot 61:sc= 0.0337 USER MOD Single : A 94 GLN : amide:sc= -0.875 K(o=-0.87,f=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= -2.39 K(o=-2.4,f=-0.52) USER MOD Single : A 112 CYS SG : rot 180:sc= -0.328 USER MOD Single : A 115 TYR OH : rot 120:sc= 0 USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 133 TYR OH : rot 22:sc= 0.48 USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 143 TYR OH : rot 180:sc= 0 USER MOD Single : A 144 ASN : amide:sc= -0.0336 K(o=-0.034,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 -14.300 -2.258 6.692 1.00 0.00 N ATOM 19 CA ALA A 2 -13.166 -1.374 6.872 1.00 0.00 C ATOM 20 C ALA A 2 -12.395 -1.433 5.561 1.00 0.00 C ATOM 21 O ALA A 2 -11.753 -2.441 5.267 1.00 0.00 O ATOM 22 CB ALA A 2 -12.302 -1.847 8.042 1.00 0.00 C ATOM 0 HA ALA A 2 -13.473 -0.355 7.107 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.454 -1.173 8.164 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.897 -1.851 8.955 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.938 -2.855 7.841 1.00 0.00 H new ATOM 28 N HIS A 3 -12.530 -0.405 4.733 1.00 0.00 N ATOM 29 CA HIS A 3 -11.890 -0.361 3.429 1.00 0.00 C ATOM 30 C HIS A 3 -10.417 0.001 3.619 1.00 0.00 C ATOM 31 O HIS A 3 -10.062 0.833 4.465 1.00 0.00 O ATOM 32 CB HIS A 3 -12.640 0.639 2.539 1.00 0.00 C ATOM 33 CG HIS A 3 -14.069 0.201 2.317 1.00 0.00 C ATOM 34 ND1 HIS A 3 -15.122 0.409 3.180 1.00 0.00 N ATOM 35 CD2 HIS A 3 -14.523 -0.595 1.302 1.00 0.00 C ATOM 36 CE1 HIS A 3 -16.191 -0.244 2.698 1.00 0.00 C ATOM 37 NE2 HIS A 3 -15.872 -0.862 1.552 1.00 0.00 N ATOM 0 H HIS A 3 -13.087 0.422 4.949 1.00 0.00 H new ATOM 0 HA HIS A 3 -11.929 -1.330 2.931 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -12.626 1.625 3.003 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -12.131 0.731 1.580 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -15.094 0.963 4.036 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -13.946 -0.952 0.462 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -17.165 -0.268 3.165 1.00 0.00 H new ATOM 45 N ILE A 4 -9.545 -0.612 2.823 1.00 0.00 N ATOM 46 CA ILE A 4 -8.118 -0.313 2.832 1.00 0.00 C ATOM 47 C ILE A 4 -7.674 0.011 1.408 1.00 0.00 C ATOM 48 O ILE A 4 -8.397 -0.270 0.442 1.00 0.00 O ATOM 49 CB ILE A 4 -7.305 -1.444 3.494 1.00 0.00 C ATOM 50 CG1 ILE A 4 -7.330 -2.753 2.681 1.00 0.00 C ATOM 51 CG2 ILE A 4 -7.793 -1.674 4.936 1.00 0.00 C ATOM 52 CD1 ILE A 4 -6.242 -3.719 3.142 1.00 0.00 C ATOM 0 H ILE A 4 -9.810 -1.333 2.152 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.924 0.565 3.448 1.00 0.00 H new ATOM 0 HB ILE A 4 -6.264 -1.123 3.518 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -8.306 -3.227 2.783 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -7.194 -2.528 1.623 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -7.212 -2.475 5.393 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -7.666 -0.758 5.513 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -8.847 -1.952 4.923 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -6.289 -4.631 2.547 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -5.265 -3.253 3.015 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -6.394 -3.963 4.193 1.00 0.00 H new ATOM 64 N PHE A 5 -6.477 0.574 1.250 1.00 0.00 N ATOM 65 CA PHE A 5 -5.941 0.977 -0.048 1.00 0.00 C ATOM 66 C PHE A 5 -4.575 0.317 -0.270 1.00 0.00 C ATOM 67 O PHE A 5 -3.737 0.326 0.633 1.00 0.00 O ATOM 68 CB PHE A 5 -5.926 2.502 -0.115 1.00 0.00 C ATOM 69 CG PHE A 5 -5.278 3.090 -1.343 1.00 0.00 C ATOM 70 CD1 PHE A 5 -6.041 3.273 -2.507 1.00 0.00 C ATOM 71 CD2 PHE A 5 -3.936 3.508 -1.311 1.00 0.00 C ATOM 72 CE1 PHE A 5 -5.499 3.952 -3.608 1.00 0.00 C ATOM 73 CE2 PHE A 5 -3.390 4.167 -2.424 1.00 0.00 C ATOM 74 CZ PHE A 5 -4.187 4.445 -3.543 1.00 0.00 C ATOM 0 H PHE A 5 -5.846 0.765 2.028 1.00 0.00 H new ATOM 0 HA PHE A 5 -6.568 0.633 -0.870 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.954 2.861 -0.060 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -5.408 2.882 0.766 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.049 2.889 -2.555 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -3.330 3.324 -0.437 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -6.089 4.095 -4.502 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -2.351 4.461 -2.418 1.00 0.00 H new ATOM 0 HZ PHE A 5 -3.792 5.038 -4.354 1.00 0.00 H new ATOM 84 N VAL A 6 -4.396 -0.304 -1.438 1.00 0.00 N ATOM 85 CA VAL A 6 -3.185 -1.008 -1.845 1.00 0.00 C ATOM 86 C VAL A 6 -2.286 -0.041 -2.625 1.00 0.00 C ATOM 87 O VAL A 6 -2.780 0.958 -3.143 1.00 0.00 O ATOM 88 CB VAL A 6 -3.556 -2.255 -2.675 1.00 0.00 C ATOM 89 CG1 VAL A 6 -4.072 -1.950 -4.089 1.00 0.00 C ATOM 90 CG2 VAL A 6 -2.385 -3.239 -2.763 1.00 0.00 C ATOM 0 H VAL A 6 -5.123 -0.329 -2.153 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.634 -1.355 -0.971 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.385 -2.706 -2.129 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.308 -2.884 -4.599 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -4.970 -1.335 -4.024 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.305 -1.415 -4.649 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.681 -4.105 -3.355 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.534 -2.750 -3.237 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.106 -3.563 -1.760 1.00 0.00 H new ATOM 100 N TYR A 7 -1.008 -0.382 -2.816 1.00 0.00 N ATOM 101 CA TYR A 7 -0.045 0.455 -3.535 1.00 0.00 C ATOM 102 C TYR A 7 0.349 -0.268 -4.824 1.00 0.00 C ATOM 103 O TYR A 7 -0.115 0.083 -5.908 1.00 0.00 O ATOM 104 CB TYR A 7 1.164 0.793 -2.634 1.00 0.00 C ATOM 105 CG TYR A 7 0.860 0.734 -1.152 1.00 0.00 C ATOM 106 CD1 TYR A 7 -0.126 1.577 -0.616 1.00 0.00 C ATOM 107 CD2 TYR A 7 1.478 -0.235 -0.334 1.00 0.00 C ATOM 108 CE1 TYR A 7 -0.492 1.455 0.729 1.00 0.00 C ATOM 109 CE2 TYR A 7 1.172 -0.306 1.033 1.00 0.00 C ATOM 110 CZ TYR A 7 0.179 0.539 1.566 1.00 0.00 C ATOM 111 OH TYR A 7 -0.140 0.450 2.879 1.00 0.00 O ATOM 0 H TYR A 7 -0.610 -1.256 -2.472 1.00 0.00 H new ATOM 0 HA TYR A 7 -0.489 1.414 -3.804 1.00 0.00 H new ATOM 0 HB2 TYR A 7 1.975 0.100 -2.856 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.521 1.792 -2.882 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -0.601 2.319 -1.241 1.00 0.00 H new ATOM 0 HD2 TYR A 7 2.190 -0.925 -0.762 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -1.290 2.064 1.127 1.00 0.00 H new ATOM 0 HE2 TYR A 7 1.694 -1.003 1.672 1.00 0.00 H new ATOM 0 HH TYR A 7 0.442 1.044 3.398 1.00 0.00 H new ATOM 121 N GLY A 8 1.172 -1.312 -4.705 1.00 0.00 N ATOM 122 CA GLY A 8 1.622 -2.157 -5.806 1.00 0.00 C ATOM 123 C GLY A 8 1.385 -3.638 -5.503 1.00 0.00 C ATOM 124 O GLY A 8 1.093 -4.442 -6.388 1.00 0.00 O ATOM 0 H GLY A 8 1.556 -1.600 -3.805 1.00 0.00 H new ATOM 0 HA2 GLY A 8 1.093 -1.881 -6.718 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.683 -1.986 -5.988 1.00 0.00 H new ATOM 128 N THR A 9 1.533 -4.005 -4.232 1.00 0.00 N ATOM 129 CA THR A 9 1.771 -5.349 -3.728 1.00 0.00 C ATOM 130 C THR A 9 0.626 -6.331 -3.989 1.00 0.00 C ATOM 131 O THR A 9 0.890 -7.509 -4.240 1.00 0.00 O ATOM 132 CB THR A 9 2.139 -5.214 -2.232 1.00 0.00 C ATOM 133 OG1 THR A 9 1.413 -4.139 -1.650 1.00 0.00 O ATOM 134 CG2 THR A 9 3.630 -4.881 -2.125 1.00 0.00 C ATOM 0 H THR A 9 1.486 -3.321 -3.477 1.00 0.00 H new ATOM 0 HA THR A 9 2.595 -5.801 -4.279 1.00 0.00 H new ATOM 0 HB THR A 9 1.902 -6.146 -1.719 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.649 -4.060 -0.702 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.906 -4.782 -1.075 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.215 -5.680 -2.581 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.831 -3.943 -2.643 1.00 0.00 H new ATOM 142 N LEU A 10 -0.622 -5.866 -3.995 1.00 0.00 N ATOM 143 CA LEU A 10 -1.813 -6.665 -4.287 1.00 0.00 C ATOM 144 C LEU A 10 -2.679 -5.870 -5.280 1.00 0.00 C ATOM 145 O LEU A 10 -3.895 -5.838 -5.149 1.00 0.00 O ATOM 146 CB LEU A 10 -2.560 -7.096 -2.993 1.00 0.00 C ATOM 147 CG LEU A 10 -1.665 -7.575 -1.819 1.00 0.00 C ATOM 148 CD1 LEU A 10 -1.348 -6.421 -0.857 1.00 0.00 C ATOM 149 CD2 LEU A 10 -2.308 -8.694 -0.997 1.00 0.00 C ATOM 0 H LEU A 10 -0.840 -4.891 -3.790 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.537 -7.611 -4.752 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.160 -6.255 -2.646 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.252 -7.899 -3.247 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.756 -7.953 -2.287 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.720 -6.787 -0.045 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.823 -5.632 -1.396 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.276 -6.024 -0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.635 -8.986 -0.191 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.248 -8.340 -0.574 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.500 -9.553 -1.640 1.00 0.00 H new ATOM 161 N LYS A 11 -2.048 -5.145 -6.223 1.00 0.00 N ATOM 162 CA LYS A 11 -2.713 -4.216 -7.145 1.00 0.00 C ATOM 163 C LYS A 11 -2.688 -4.689 -8.605 1.00 0.00 C ATOM 164 O LYS A 11 -3.570 -4.301 -9.366 1.00 0.00 O ATOM 165 CB LYS A 11 -2.120 -2.800 -6.962 1.00 0.00 C ATOM 166 CG LYS A 11 -2.883 -1.716 -7.746 1.00 0.00 C ATOM 167 CD LYS A 11 -2.240 -1.417 -9.109 1.00 0.00 C ATOM 168 CE LYS A 11 -1.231 -0.273 -9.012 1.00 0.00 C ATOM 169 NZ LYS A 11 -0.444 -0.106 -10.251 1.00 0.00 N ATOM 0 H LYS A 11 -1.039 -5.193 -6.365 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.772 -4.185 -6.891 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.126 -2.545 -5.902 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.078 -2.805 -7.282 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.914 -2.038 -7.896 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.918 -0.801 -7.155 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.742 -2.312 -9.482 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.016 -1.159 -9.830 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.759 0.655 -8.793 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.554 -0.459 -8.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.364 0.522 -10.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.096 -1.033 -10.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.045 0.311 -10.990 1.00 0.00 H new ATOM 183 N ARG A 12 -1.723 -5.520 -9.016 1.00 0.00 N ATOM 184 CA ARG A 12 -1.743 -6.213 -10.305 1.00 0.00 C ATOM 185 C ARG A 12 -1.217 -7.624 -10.127 1.00 0.00 C ATOM 186 O ARG A 12 -1.957 -8.480 -9.655 1.00 0.00 O ATOM 187 CB ARG A 12 -0.871 -5.453 -11.325 1.00 0.00 C ATOM 188 CG ARG A 12 -1.544 -4.239 -11.958 1.00 0.00 C ATOM 189 CD ARG A 12 -2.660 -4.662 -12.910 1.00 0.00 C ATOM 190 NE ARG A 12 -2.514 -3.939 -14.171 1.00 0.00 N ATOM 191 CZ ARG A 12 -2.988 -2.740 -14.518 1.00 0.00 C ATOM 192 NH1 ARG A 12 -3.913 -2.095 -13.806 1.00 0.00 N ATOM 193 NH2 ARG A 12 -2.448 -2.174 -15.588 1.00 0.00 N ATOM 0 H ARG A 12 -0.898 -5.731 -8.455 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.767 -6.253 -10.677 1.00 0.00 H new ATOM 0 HB2 ARG A 12 0.044 -5.127 -10.830 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -0.577 -6.142 -12.116 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.952 -3.597 -11.177 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -0.804 -3.650 -12.500 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -2.617 -5.737 -13.086 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.633 -4.451 -12.466 1.00 0.00 H new ATOM 0 HE ARG A 12 -1.972 -4.419 -14.890 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.289 -2.517 -12.957 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -4.245 -1.180 -14.111 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.709 -2.654 -16.101 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -2.772 -1.258 -15.899 1.00 0.00 H new ATOM 207 N GLY A 13 0.095 -7.841 -10.229 1.00 0.00 N ATOM 208 CA GLY A 13 0.638 -9.171 -10.454 1.00 0.00 C ATOM 209 C GLY A 13 1.712 -9.511 -9.449 1.00 0.00 C ATOM 210 O GLY A 13 2.291 -10.599 -9.504 1.00 0.00 O ATOM 0 H GLY A 13 0.799 -7.107 -10.158 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.164 -9.907 -10.393 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.050 -9.231 -11.461 1.00 0.00 H new ATOM 214 N GLN A 14 1.944 -8.586 -8.511 1.00 0.00 N ATOM 215 CA GLN A 14 3.007 -8.646 -7.545 1.00 0.00 C ATOM 216 C GLN A 14 2.992 -10.006 -6.848 1.00 0.00 C ATOM 217 O GLN A 14 1.922 -10.603 -6.672 1.00 0.00 O ATOM 218 CB GLN A 14 2.893 -7.479 -6.554 1.00 0.00 C ATOM 219 CG GLN A 14 3.826 -6.319 -6.888 1.00 0.00 C ATOM 220 CD GLN A 14 3.653 -5.802 -8.316 1.00 0.00 C ATOM 221 OE1 GLN A 14 4.610 -5.789 -9.086 1.00 0.00 O ATOM 222 NE2 GLN A 14 2.456 -5.413 -8.721 1.00 0.00 N ATOM 0 H GLN A 14 1.366 -7.751 -8.414 1.00 0.00 H new ATOM 0 HA GLN A 14 3.969 -8.543 -8.047 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.864 -7.119 -6.542 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.116 -7.839 -5.550 1.00 0.00 H new ATOM 0 HG2 GLN A 14 3.646 -5.503 -6.188 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.858 -6.639 -6.746 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.669 -5.428 -8.073 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.320 -5.098 -9.682 1.00 0.00 H new ATOM 231 N PRO A 15 4.154 -10.477 -6.379 1.00 0.00 N ATOM 232 CA PRO A 15 4.330 -11.848 -5.902 1.00 0.00 C ATOM 233 C PRO A 15 3.438 -12.163 -4.701 1.00 0.00 C ATOM 234 O PRO A 15 3.188 -13.321 -4.372 1.00 0.00 O ATOM 235 CB PRO A 15 5.818 -11.971 -5.565 1.00 0.00 C ATOM 236 CG PRO A 15 6.313 -10.554 -5.423 1.00 0.00 C ATOM 237 CD PRO A 15 5.343 -9.670 -6.177 1.00 0.00 C ATOM 0 HA PRO A 15 4.031 -12.573 -6.659 1.00 0.00 H new ATOM 0 HB2 PRO A 15 5.967 -12.534 -4.644 1.00 0.00 H new ATOM 0 HB3 PRO A 15 6.357 -12.499 -6.352 1.00 0.00 H new ATOM 0 HG2 PRO A 15 6.362 -10.266 -4.373 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.320 -10.455 -5.828 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.113 -8.768 -5.610 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.765 -9.349 -7.129 1.00 0.00 H new ATOM 245 N ASN A 16 2.949 -11.117 -4.051 1.00 0.00 N ATOM 246 CA ASN A 16 2.281 -11.126 -2.773 1.00 0.00 C ATOM 247 C ASN A 16 0.778 -11.302 -2.946 1.00 0.00 C ATOM 248 O ASN A 16 0.131 -11.801 -2.036 1.00 0.00 O ATOM 249 CB ASN A 16 2.572 -9.777 -2.102 1.00 0.00 C ATOM 250 CG ASN A 16 4.011 -9.317 -2.307 1.00 0.00 C ATOM 251 OD1 ASN A 16 4.973 -9.993 -1.968 1.00 0.00 O ATOM 252 ND2 ASN A 16 4.177 -8.221 -3.028 1.00 0.00 N ATOM 0 H ASN A 16 3.018 -10.175 -4.437 1.00 0.00 H new ATOM 0 HA ASN A 16 2.641 -11.957 -2.166 1.00 0.00 H new ATOM 0 HB2 ASN A 16 1.893 -9.023 -2.501 1.00 0.00 H new ATOM 0 HB3 ASN A 16 2.368 -9.855 -1.034 1.00 0.00 H new ATOM 0 HD21 ASN A 16 5.114 -7.931 -3.307 1.00 0.00 H new ATOM 0 HD22 ASN A 16 3.368 -7.665 -3.305 1.00 0.00 H new ATOM 259 N HIS A 17 0.215 -10.921 -4.103 1.00 0.00 N ATOM 260 CA HIS A 17 -1.226 -10.734 -4.308 1.00 0.00 C ATOM 261 C HIS A 17 -2.035 -11.934 -3.808 1.00 0.00 C ATOM 262 O HIS A 17 -3.066 -11.751 -3.162 1.00 0.00 O ATOM 263 CB HIS A 17 -1.494 -10.457 -5.798 1.00 0.00 C ATOM 264 CG HIS A 17 -2.899 -10.013 -6.160 1.00 0.00 C ATOM 265 ND1 HIS A 17 -3.267 -8.913 -6.913 1.00 0.00 N ATOM 266 CD2 HIS A 17 -4.043 -10.723 -5.922 1.00 0.00 C ATOM 267 CE1 HIS A 17 -4.601 -8.949 -7.082 1.00 0.00 C ATOM 268 NE2 HIS A 17 -5.113 -10.050 -6.508 1.00 0.00 N ATOM 0 H HIS A 17 0.764 -10.730 -4.941 1.00 0.00 H new ATOM 0 HA HIS A 17 -1.554 -9.877 -3.720 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -0.796 -9.690 -6.134 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -1.267 -11.363 -6.360 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -2.636 -8.199 -7.277 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -4.107 -11.650 -5.372 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -5.178 -8.200 -7.604 1.00 0.00 H new ATOM 276 N LYS A 18 -1.545 -13.155 -4.044 1.00 0.00 N ATOM 277 CA LYS A 18 -2.188 -14.416 -3.691 1.00 0.00 C ATOM 278 C LYS A 18 -2.712 -14.479 -2.261 1.00 0.00 C ATOM 279 O LYS A 18 -3.662 -15.222 -2.041 1.00 0.00 O ATOM 280 CB LYS A 18 -1.218 -15.574 -3.994 1.00 0.00 C ATOM 281 CG LYS A 18 0.055 -15.620 -3.119 1.00 0.00 C ATOM 282 CD LYS A 18 -0.107 -16.423 -1.816 1.00 0.00 C ATOM 283 CE LYS A 18 1.251 -16.572 -1.126 1.00 0.00 C ATOM 284 NZ LYS A 18 1.191 -17.394 0.103 1.00 0.00 N ATOM 0 H LYS A 18 -0.647 -13.293 -4.508 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.083 -14.504 -4.306 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.754 -16.515 -3.874 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.917 -15.509 -5.040 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.868 -16.053 -3.702 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.349 -14.600 -2.871 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.809 -15.918 -1.152 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.524 -17.406 -2.034 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.958 -17.022 -1.823 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.635 -15.583 -0.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.140 -17.458 0.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.539 -16.954 0.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.852 -18.348 -0.134 1.00 0.00 H new ATOM 298 N VAL A 19 -2.136 -13.736 -1.311 1.00 0.00 N ATOM 299 CA VAL A 19 -2.586 -13.780 0.072 1.00 0.00 C ATOM 300 C VAL A 19 -4.036 -13.299 0.180 1.00 0.00 C ATOM 301 O VAL A 19 -4.836 -13.919 0.873 1.00 0.00 O ATOM 302 CB VAL A 19 -1.626 -12.998 0.991 1.00 0.00 C ATOM 303 CG1 VAL A 19 -0.204 -13.576 0.943 1.00 0.00 C ATOM 304 CG2 VAL A 19 -1.604 -11.486 0.768 1.00 0.00 C ATOM 0 H VAL A 19 -1.358 -13.099 -1.480 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.568 -14.814 0.417 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.037 -13.135 1.991 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.445 -13.000 1.603 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.223 -14.616 1.269 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.176 -13.523 -0.077 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.899 -11.026 1.461 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.297 -11.274 -0.256 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.600 -11.078 0.940 1.00 0.00 H new ATOM 314 N MET A 20 -4.410 -12.240 -0.552 1.00 0.00 N ATOM 315 CA MET A 20 -5.760 -11.691 -0.479 1.00 0.00 C ATOM 316 C MET A 20 -6.797 -12.569 -1.176 1.00 0.00 C ATOM 317 O MET A 20 -7.998 -12.347 -1.021 1.00 0.00 O ATOM 318 CB MET A 20 -5.809 -10.276 -1.057 1.00 0.00 C ATOM 319 CG MET A 20 -5.614 -10.180 -2.580 1.00 0.00 C ATOM 320 SD MET A 20 -6.884 -9.218 -3.436 1.00 0.00 S ATOM 321 CE MET A 20 -6.625 -7.636 -2.610 1.00 0.00 C ATOM 0 H MET A 20 -3.792 -11.751 -1.200 1.00 0.00 H new ATOM 0 HA MET A 20 -6.016 -11.660 0.580 1.00 0.00 H new ATOM 0 HB2 MET A 20 -6.770 -9.830 -0.802 1.00 0.00 H new ATOM 0 HB3 MET A 20 -5.040 -9.676 -0.570 1.00 0.00 H new ATOM 0 HG2 MET A 20 -4.640 -9.734 -2.782 1.00 0.00 H new ATOM 0 HG3 MET A 20 -5.596 -11.187 -2.996 1.00 0.00 H new ATOM 0 HE1 MET A 20 -7.578 -7.259 -2.238 1.00 0.00 H new ATOM 0 HE2 MET A 20 -5.937 -7.770 -1.775 1.00 0.00 H new ATOM 0 HE3 MET A 20 -6.203 -6.921 -3.317 1.00 0.00 H new ATOM 331 N LEU A 21 -6.339 -13.523 -1.988 1.00 0.00 N ATOM 332 CA LEU A 21 -7.195 -14.439 -2.722 1.00 0.00 C ATOM 333 C LEU A 21 -7.618 -15.597 -1.825 1.00 0.00 C ATOM 334 O LEU A 21 -8.494 -16.377 -2.198 1.00 0.00 O ATOM 335 CB LEU A 21 -6.439 -14.997 -3.939 1.00 0.00 C ATOM 336 CG LEU A 21 -5.882 -13.957 -4.920 1.00 0.00 C ATOM 337 CD1 LEU A 21 -5.236 -14.684 -6.099 1.00 0.00 C ATOM 338 CD2 LEU A 21 -6.954 -13.004 -5.451 1.00 0.00 C ATOM 0 H LEU A 21 -5.344 -13.678 -2.153 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.080 -13.897 -3.055 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.611 -15.607 -3.579 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.110 -15.660 -4.486 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.154 -13.355 -4.376 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.837 -13.953 -6.802 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.427 -15.318 -5.736 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.983 -15.300 -6.600 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.499 -12.292 -6.140 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.722 -13.575 -5.974 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.406 -12.465 -4.619 1.00 0.00 H new ATOM 350 N ASP A 22 -6.950 -15.795 -0.689 1.00 0.00 N ATOM 351 CA ASP A 22 -7.237 -16.881 0.232 1.00 0.00 C ATOM 352 C ASP A 22 -8.348 -16.384 1.142 1.00 0.00 C ATOM 353 O ASP A 22 -8.097 -15.691 2.121 1.00 0.00 O ATOM 354 CB ASP A 22 -5.992 -17.278 1.034 1.00 0.00 C ATOM 355 CG ASP A 22 -4.851 -17.849 0.191 1.00 0.00 C ATOM 356 OD1 ASP A 22 -5.122 -18.491 -0.856 1.00 0.00 O ATOM 357 OD2 ASP A 22 -3.670 -17.678 0.570 1.00 0.00 O ATOM 0 H ASP A 22 -6.185 -15.194 -0.383 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.543 -17.779 -0.305 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -5.627 -16.403 1.572 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -6.278 -18.016 1.783 1.00 0.00 H new ATOM 362 N HIS A 23 -9.595 -16.710 0.816 1.00 0.00 N ATOM 363 CA HIS A 23 -10.758 -16.285 1.588 1.00 0.00 C ATOM 364 C HIS A 23 -10.753 -16.856 3.021 1.00 0.00 C ATOM 365 O HIS A 23 -11.494 -16.380 3.881 1.00 0.00 O ATOM 366 CB HIS A 23 -12.017 -16.660 0.800 1.00 0.00 C ATOM 367 CG HIS A 23 -13.325 -16.164 1.371 1.00 0.00 C ATOM 368 ND1 HIS A 23 -14.485 -16.902 1.468 1.00 0.00 N ATOM 369 CD2 HIS A 23 -13.611 -14.887 1.774 1.00 0.00 C ATOM 370 CE1 HIS A 23 -15.461 -16.077 1.883 1.00 0.00 C ATOM 371 NE2 HIS A 23 -14.970 -14.847 2.113 1.00 0.00 N ATOM 0 H HIS A 23 -9.829 -17.280 0.003 1.00 0.00 H new ATOM 0 HA HIS A 23 -10.732 -15.204 1.725 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -11.916 -16.274 -0.214 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -12.065 -17.746 0.724 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -12.916 -14.062 1.822 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -16.495 -16.362 2.013 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -15.486 -14.041 2.466 1.00 0.00 H new ATOM 379 N SER A 24 -9.919 -17.859 3.321 1.00 0.00 N ATOM 380 CA SER A 24 -9.644 -18.295 4.690 1.00 0.00 C ATOM 381 C SER A 24 -8.787 -17.296 5.474 1.00 0.00 C ATOM 382 O SER A 24 -8.900 -17.229 6.696 1.00 0.00 O ATOM 383 CB SER A 24 -8.981 -19.656 4.684 1.00 0.00 C ATOM 384 OG SER A 24 -9.844 -20.634 4.132 1.00 0.00 O ATOM 0 H SER A 24 -9.414 -18.393 2.614 1.00 0.00 H new ATOM 0 HA SER A 24 -10.606 -18.356 5.199 1.00 0.00 H new ATOM 0 HB2 SER A 24 -8.057 -19.613 4.107 1.00 0.00 H new ATOM 0 HB3 SER A 24 -8.709 -19.937 5.701 1.00 0.00 H new ATOM 0 HG SER A 24 -9.396 -21.505 4.136 1.00 0.00 H new ATOM 390 N HIS A 25 -7.952 -16.514 4.793 1.00 0.00 N ATOM 391 CA HIS A 25 -7.208 -15.401 5.370 1.00 0.00 C ATOM 392 C HIS A 25 -8.076 -14.134 5.430 1.00 0.00 C ATOM 393 O HIS A 25 -7.612 -13.092 5.878 1.00 0.00 O ATOM 394 CB HIS A 25 -5.919 -15.193 4.560 1.00 0.00 C ATOM 395 CG HIS A 25 -5.006 -16.402 4.514 1.00 0.00 C ATOM 396 ND1 HIS A 25 -4.096 -16.690 3.526 1.00 0.00 N ATOM 397 CD2 HIS A 25 -4.952 -17.427 5.420 1.00 0.00 C ATOM 398 CE1 HIS A 25 -3.545 -17.879 3.809 1.00 0.00 C ATOM 399 NE2 HIS A 25 -4.026 -18.376 4.961 1.00 0.00 N ATOM 0 H HIS A 25 -7.771 -16.642 3.797 1.00 0.00 H new ATOM 0 HA HIS A 25 -6.933 -15.630 6.400 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -6.186 -14.916 3.540 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.369 -14.353 4.985 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -5.525 -17.494 6.333 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -2.810 -18.373 3.191 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -3.772 -19.257 5.408 1.00 0.00 H new ATOM 407 N GLY A 26 -9.346 -14.221 5.026 1.00 0.00 N ATOM 408 CA GLY A 26 -10.333 -13.167 5.132 1.00 0.00 C ATOM 409 C GLY A 26 -10.739 -12.669 3.757 1.00 0.00 C ATOM 410 O GLY A 26 -10.253 -13.127 2.724 1.00 0.00 O ATOM 0 H GLY A 26 -9.721 -15.068 4.599 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -11.210 -13.536 5.664 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.929 -12.342 5.718 1.00 0.00 H new ATOM 414 N LEU A 27 -11.674 -11.729 3.753 1.00 0.00 N ATOM 415 CA LEU A 27 -12.261 -11.201 2.537 1.00 0.00 C ATOM 416 C LEU A 27 -11.414 -10.074 1.957 1.00 0.00 C ATOM 417 O LEU A 27 -10.913 -9.248 2.723 1.00 0.00 O ATOM 418 CB LEU A 27 -13.646 -10.687 2.910 1.00 0.00 C ATOM 419 CG LEU A 27 -14.515 -10.243 1.732 1.00 0.00 C ATOM 420 CD1 LEU A 27 -14.828 -11.413 0.796 1.00 0.00 C ATOM 421 CD2 LEU A 27 -15.801 -9.715 2.352 1.00 0.00 C ATOM 0 H LEU A 27 -12.048 -11.310 4.604 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.317 -11.976 1.772 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.173 -11.471 3.454 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.532 -9.846 3.594 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.004 -9.491 1.131 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.447 -11.063 -0.030 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.898 -11.824 0.403 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -15.362 -12.187 1.347 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -16.474 -9.378 1.563 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -16.282 -10.509 2.924 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.570 -8.880 3.013 1.00 0.00 H new ATOM 433 N ALA A 28 -11.343 -9.980 0.628 1.00 0.00 N ATOM 434 CA ALA A 28 -10.934 -8.795 -0.113 1.00 0.00 C ATOM 435 C ALA A 28 -11.694 -8.746 -1.439 1.00 0.00 C ATOM 436 O ALA A 28 -11.526 -9.653 -2.252 1.00 0.00 O ATOM 437 CB ALA A 28 -9.429 -8.819 -0.380 1.00 0.00 C ATOM 0 H ALA A 28 -11.580 -10.762 0.017 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.164 -7.909 0.479 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.144 -7.925 -0.935 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.892 -8.845 0.568 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.177 -9.704 -0.964 1.00 0.00 H new ATOM 443 N ALA A 29 -12.479 -7.695 -1.698 1.00 0.00 N ATOM 444 CA ALA A 29 -13.103 -7.468 -3.003 1.00 0.00 C ATOM 445 C ALA A 29 -12.950 -6.015 -3.434 1.00 0.00 C ATOM 446 O ALA A 29 -12.846 -5.111 -2.609 1.00 0.00 O ATOM 447 CB ALA A 29 -14.580 -7.840 -2.980 1.00 0.00 C ATOM 0 H ALA A 29 -12.699 -6.978 -1.007 1.00 0.00 H new ATOM 0 HA ALA A 29 -12.592 -8.108 -3.722 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -15.016 -7.661 -3.963 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.686 -8.894 -2.723 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -15.097 -7.232 -2.238 1.00 0.00 H new ATOM 453 N PHE A 30 -12.909 -5.818 -4.746 1.00 0.00 N ATOM 454 CA PHE A 30 -12.718 -4.553 -5.437 1.00 0.00 C ATOM 455 C PHE A 30 -13.919 -3.636 -5.201 1.00 0.00 C ATOM 456 O PHE A 30 -14.995 -3.867 -5.758 1.00 0.00 O ATOM 457 CB PHE A 30 -12.520 -4.882 -6.921 1.00 0.00 C ATOM 458 CG PHE A 30 -12.373 -3.717 -7.869 1.00 0.00 C ATOM 459 CD1 PHE A 30 -11.182 -2.971 -7.907 1.00 0.00 C ATOM 460 CD2 PHE A 30 -13.388 -3.461 -8.810 1.00 0.00 C ATOM 461 CE1 PHE A 30 -11.006 -1.996 -8.904 1.00 0.00 C ATOM 462 CE2 PHE A 30 -13.178 -2.529 -9.833 1.00 0.00 C ATOM 463 CZ PHE A 30 -11.992 -1.788 -9.881 1.00 0.00 C ATOM 0 H PHE A 30 -13.016 -6.594 -5.399 1.00 0.00 H new ATOM 0 HA PHE A 30 -11.846 -4.016 -5.062 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -11.632 -5.508 -7.013 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -13.368 -5.482 -7.251 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -10.407 -3.146 -7.175 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -14.330 -3.984 -8.743 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -10.104 -1.402 -8.918 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -13.935 -2.381 -10.589 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.836 -1.061 -10.664 1.00 0.00 H new ATOM 473 N ARG A 31 -13.710 -2.581 -4.411 1.00 0.00 N ATOM 474 CA ARG A 31 -14.700 -1.563 -4.063 1.00 0.00 C ATOM 475 C ARG A 31 -14.207 -0.209 -4.583 1.00 0.00 C ATOM 476 O ARG A 31 -14.305 0.807 -3.902 1.00 0.00 O ATOM 477 CB ARG A 31 -14.944 -1.615 -2.537 1.00 0.00 C ATOM 478 CG ARG A 31 -16.162 -0.821 -2.030 1.00 0.00 C ATOM 479 CD ARG A 31 -17.503 -1.553 -2.139 1.00 0.00 C ATOM 480 NE ARG A 31 -17.832 -2.395 -0.973 1.00 0.00 N ATOM 481 CZ ARG A 31 -18.825 -2.223 -0.087 1.00 0.00 C ATOM 482 NH1 ARG A 31 -19.524 -1.096 -0.003 1.00 0.00 N ATOM 483 NH2 ARG A 31 -19.154 -3.219 0.722 1.00 0.00 N ATOM 0 H ARG A 31 -12.804 -2.406 -3.977 1.00 0.00 H new ATOM 0 HA ARG A 31 -15.667 -1.740 -4.534 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -15.064 -2.657 -2.242 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -14.053 -1.241 -2.032 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -15.994 -0.555 -0.986 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -16.228 0.112 -2.590 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -18.295 -0.817 -2.276 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -17.491 -2.178 -3.032 1.00 0.00 H new ATOM 0 HE ARG A 31 -17.232 -3.206 -0.822 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -19.314 -0.318 -0.628 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -20.271 -1.009 0.686 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -18.654 -4.106 0.668 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -19.907 -3.099 1.399 1.00 0.00 H new ATOM 497 N GLY A 32 -13.664 -0.183 -5.798 1.00 0.00 N ATOM 498 CA GLY A 32 -13.387 1.039 -6.528 1.00 0.00 C ATOM 499 C GLY A 32 -11.902 1.288 -6.728 1.00 0.00 C ATOM 500 O GLY A 32 -11.027 0.568 -6.230 1.00 0.00 O ATOM 0 H GLY A 32 -13.402 -1.028 -6.306 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.876 0.993 -7.501 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -13.822 1.882 -5.992 1.00 0.00 H new ATOM 504 N ARG A 33 -11.609 2.344 -7.483 1.00 0.00 N ATOM 505 CA ARG A 33 -10.244 2.756 -7.810 1.00 0.00 C ATOM 506 C ARG A 33 -9.930 4.039 -7.056 1.00 0.00 C ATOM 507 O ARG A 33 -10.832 4.816 -6.746 1.00 0.00 O ATOM 508 CB ARG A 33 -10.120 2.916 -9.329 1.00 0.00 C ATOM 509 CG ARG A 33 -10.048 1.527 -9.985 1.00 0.00 C ATOM 510 CD ARG A 33 -10.183 1.607 -11.501 1.00 0.00 C ATOM 511 NE ARG A 33 -9.080 2.369 -12.113 1.00 0.00 N ATOM 512 CZ ARG A 33 -8.886 2.540 -13.421 1.00 0.00 C ATOM 513 NH1 ARG A 33 -9.606 1.871 -14.313 1.00 0.00 N ATOM 514 NH2 ARG A 33 -7.950 3.385 -13.834 1.00 0.00 N ATOM 0 H ARG A 33 -12.323 2.947 -7.891 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.516 2.005 -7.503 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.974 3.470 -9.718 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.228 3.492 -9.573 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -9.100 1.053 -9.729 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -10.839 0.894 -9.583 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -10.203 0.600 -11.917 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -11.133 2.076 -11.756 1.00 0.00 H new ATOM 0 HE ARG A 33 -8.407 2.803 -11.481 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.321 1.214 -14.002 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -9.444 2.014 -15.310 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -7.388 3.896 -13.153 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -7.793 3.524 -14.832 1.00 0.00 H new ATOM 528 N GLY A 34 -8.650 4.316 -6.801 1.00 0.00 N ATOM 529 CA GLY A 34 -8.289 5.549 -6.118 1.00 0.00 C ATOM 530 C GLY A 34 -6.848 5.975 -6.285 1.00 0.00 C ATOM 531 O GLY A 34 -6.017 5.248 -6.835 1.00 0.00 O ATOM 0 H GLY A 34 -7.865 3.715 -7.052 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.933 6.350 -6.482 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.496 5.431 -5.054 1.00 0.00 H new ATOM 535 N CYS A 35 -6.546 7.173 -5.802 1.00 0.00 N ATOM 536 CA CYS A 35 -5.200 7.708 -5.783 1.00 0.00 C ATOM 537 C CYS A 35 -5.032 8.516 -4.494 1.00 0.00 C ATOM 538 O CYS A 35 -5.940 9.253 -4.118 1.00 0.00 O ATOM 539 CB CYS A 35 -4.949 8.472 -7.096 1.00 0.00 C ATOM 540 SG CYS A 35 -5.869 10.009 -7.323 1.00 0.00 S ATOM 0 H CYS A 35 -7.242 7.806 -5.408 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.429 6.938 -5.755 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.885 8.699 -7.161 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.184 7.808 -7.927 1.00 0.00 H new ATOM 0 HG CYS A 35 -5.554 10.538 -8.468 1.00 0.00 H new ATOM 546 N THR A 36 -3.961 8.309 -3.725 1.00 0.00 N ATOM 547 CA THR A 36 -3.692 9.144 -2.560 1.00 0.00 C ATOM 548 C THR A 36 -3.462 10.549 -3.087 1.00 0.00 C ATOM 549 O THR A 36 -2.480 10.801 -3.785 1.00 0.00 O ATOM 550 CB THR A 36 -2.525 8.644 -1.704 1.00 0.00 C ATOM 551 OG1 THR A 36 -1.372 8.338 -2.445 1.00 0.00 O ATOM 552 CG2 THR A 36 -2.935 7.377 -0.963 1.00 0.00 C ATOM 0 H THR A 36 -3.272 7.575 -3.889 1.00 0.00 H new ATOM 0 HA THR A 36 -4.541 9.113 -1.877 1.00 0.00 H new ATOM 0 HB THR A 36 -2.287 9.462 -1.024 1.00 0.00 H new ATOM 0 HG1 THR A 36 -1.578 7.633 -3.093 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.101 7.025 -0.355 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.788 7.592 -0.319 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.209 6.607 -1.684 1.00 0.00 H new ATOM 560 N VAL A 37 -4.442 11.416 -2.861 1.00 0.00 N ATOM 561 CA VAL A 37 -4.369 12.787 -3.374 1.00 0.00 C ATOM 562 C VAL A 37 -3.478 13.675 -2.503 1.00 0.00 C ATOM 563 O VAL A 37 -3.014 14.734 -2.927 1.00 0.00 O ATOM 564 CB VAL A 37 -5.764 13.400 -3.555 1.00 0.00 C ATOM 565 CG1 VAL A 37 -6.204 13.209 -5.007 1.00 0.00 C ATOM 566 CG2 VAL A 37 -6.822 12.879 -2.564 1.00 0.00 C ATOM 0 H VAL A 37 -5.288 11.202 -2.333 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.906 12.732 -4.359 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.683 14.462 -3.323 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -7.195 13.641 -5.147 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.495 13.705 -5.670 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.236 12.145 -5.240 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -7.777 13.365 -2.763 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.931 11.801 -2.682 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.507 13.102 -1.545 1.00 0.00 H new ATOM 576 N GLU A 38 -3.240 13.254 -1.270 1.00 0.00 N ATOM 577 CA GLU A 38 -2.072 13.669 -0.526 1.00 0.00 C ATOM 578 C GLU A 38 -0.851 13.102 -1.231 1.00 0.00 C ATOM 579 O GLU A 38 -0.685 11.889 -1.336 1.00 0.00 O ATOM 580 CB GLU A 38 -2.202 13.230 0.941 1.00 0.00 C ATOM 581 CG GLU A 38 -2.843 14.413 1.675 1.00 0.00 C ATOM 582 CD GLU A 38 -3.468 14.139 3.041 1.00 0.00 C ATOM 583 OE1 GLU A 38 -3.266 13.066 3.648 1.00 0.00 O ATOM 584 OE2 GLU A 38 -4.163 15.071 3.519 1.00 0.00 O ATOM 0 H GLU A 38 -3.853 12.616 -0.762 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.970 14.754 -0.499 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.818 12.335 1.028 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.227 12.988 1.365 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.082 15.183 1.801 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.615 14.831 1.029 1.00 0.00 H new ATOM 591 N SER A 39 -0.004 14.000 -1.725 1.00 0.00 N ATOM 592 CA SER A 39 1.375 13.692 -2.046 1.00 0.00 C ATOM 593 C SER A 39 2.007 13.047 -0.823 1.00 0.00 C ATOM 594 O SER A 39 1.864 13.615 0.261 1.00 0.00 O ATOM 595 CB SER A 39 2.149 14.974 -2.399 1.00 0.00 C ATOM 596 OG SER A 39 1.342 16.145 -2.459 1.00 0.00 O ATOM 0 H SER A 39 -0.263 14.968 -1.913 1.00 0.00 H new ATOM 0 HA SER A 39 1.410 13.022 -2.905 1.00 0.00 H new ATOM 0 HB2 SER A 39 2.935 15.126 -1.659 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.640 14.835 -3.362 1.00 0.00 H new ATOM 0 HG SER A 39 1.902 16.917 -2.686 1.00 0.00 H new ATOM 602 N PHE A 40 2.721 11.931 -0.973 1.00 0.00 N ATOM 603 CA PHE A 40 3.360 11.307 0.168 1.00 0.00 C ATOM 604 C PHE A 40 4.790 10.906 -0.227 1.00 0.00 C ATOM 605 O PHE A 40 5.076 10.659 -1.406 1.00 0.00 O ATOM 606 CB PHE A 40 2.585 10.040 0.552 1.00 0.00 C ATOM 607 CG PHE A 40 1.340 10.197 1.416 1.00 0.00 C ATOM 608 CD1 PHE A 40 1.415 10.577 2.770 1.00 0.00 C ATOM 609 CD2 PHE A 40 0.084 9.897 0.858 1.00 0.00 C ATOM 610 CE1 PHE A 40 0.244 10.674 3.551 1.00 0.00 C ATOM 611 CE2 PHE A 40 -1.085 9.991 1.632 1.00 0.00 C ATOM 612 CZ PHE A 40 -1.009 10.377 2.978 1.00 0.00 C ATOM 0 H PHE A 40 2.866 11.452 -1.862 1.00 0.00 H new ATOM 0 HA PHE A 40 3.377 12.001 1.008 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.291 9.537 -0.369 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.272 9.374 1.074 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.375 10.796 3.213 1.00 0.00 H new ATOM 0 HD2 PHE A 40 0.018 9.591 -0.176 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.308 10.975 4.586 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.044 9.766 1.189 1.00 0.00 H new ATOM 0 HZ PHE A 40 -1.907 10.446 3.573 1.00 0.00 H new ATOM 622 N PRO A 41 5.700 10.765 0.750 1.00 0.00 N ATOM 623 CA PRO A 41 6.977 10.093 0.580 1.00 0.00 C ATOM 624 C PRO A 41 6.767 8.585 0.447 1.00 0.00 C ATOM 625 O PRO A 41 6.797 7.851 1.438 1.00 0.00 O ATOM 626 CB PRO A 41 7.795 10.410 1.832 1.00 0.00 C ATOM 627 CG PRO A 41 6.711 10.641 2.867 1.00 0.00 C ATOM 628 CD PRO A 41 5.561 11.255 2.109 1.00 0.00 C ATOM 0 HA PRO A 41 7.488 10.430 -0.322 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.454 9.587 2.108 1.00 0.00 H new ATOM 0 HB3 PRO A 41 8.424 11.290 1.696 1.00 0.00 H new ATOM 0 HG2 PRO A 41 6.415 9.706 3.341 1.00 0.00 H new ATOM 0 HG3 PRO A 41 7.059 11.304 3.659 1.00 0.00 H new ATOM 0 HD2 PRO A 41 4.604 10.960 2.538 1.00 0.00 H new ATOM 0 HD3 PRO A 41 5.603 12.344 2.142 1.00 0.00 H new ATOM 636 N LEU A 42 6.607 8.099 -0.779 1.00 0.00 N ATOM 637 CA LEU A 42 6.941 6.716 -1.074 1.00 0.00 C ATOM 638 C LEU A 42 8.403 6.697 -1.510 1.00 0.00 C ATOM 639 O LEU A 42 8.729 7.204 -2.586 1.00 0.00 O ATOM 640 CB LEU A 42 5.996 6.148 -2.136 1.00 0.00 C ATOM 641 CG LEU A 42 6.242 4.646 -2.371 1.00 0.00 C ATOM 642 CD1 LEU A 42 5.932 3.862 -1.094 1.00 0.00 C ATOM 643 CD2 LEU A 42 5.372 4.108 -3.504 1.00 0.00 C ATOM 0 H LEU A 42 6.253 8.635 -1.572 1.00 0.00 H new ATOM 0 HA LEU A 42 6.816 6.076 -0.200 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.963 6.303 -1.825 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.132 6.690 -3.072 1.00 0.00 H new ATOM 0 HG LEU A 42 7.289 4.522 -2.646 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.108 2.800 -1.267 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.577 4.210 -0.288 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.889 4.016 -0.816 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.571 3.045 -3.643 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.321 4.250 -3.254 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.602 4.643 -4.425 1.00 0.00 H new ATOM 655 N VAL A 43 9.289 6.184 -0.658 1.00 0.00 N ATOM 656 CA VAL A 43 10.690 5.901 -0.993 1.00 0.00 C ATOM 657 C VAL A 43 10.829 4.398 -1.235 1.00 0.00 C ATOM 658 O VAL A 43 9.948 3.647 -0.820 1.00 0.00 O ATOM 659 CB VAL A 43 11.632 6.366 0.139 1.00 0.00 C ATOM 660 CG1 VAL A 43 11.551 7.883 0.314 1.00 0.00 C ATOM 661 CG2 VAL A 43 11.341 5.695 1.493 1.00 0.00 C ATOM 0 H VAL A 43 9.051 5.947 0.305 1.00 0.00 H new ATOM 0 HA VAL A 43 10.974 6.449 -1.892 1.00 0.00 H new ATOM 0 HB VAL A 43 12.634 6.066 -0.168 1.00 0.00 H new ATOM 0 HG11 VAL A 43 12.221 8.193 1.116 1.00 0.00 H new ATOM 0 HG12 VAL A 43 11.845 8.373 -0.614 1.00 0.00 H new ATOM 0 HG13 VAL A 43 10.529 8.166 0.566 1.00 0.00 H new ATOM 0 HG21 VAL A 43 12.040 6.068 2.242 1.00 0.00 H new ATOM 0 HG22 VAL A 43 10.321 5.925 1.802 1.00 0.00 H new ATOM 0 HG23 VAL A 43 11.455 4.615 1.396 1.00 0.00 H new ATOM 671 N ILE A 44 11.945 3.946 -1.815 1.00 0.00 N ATOM 672 CA ILE A 44 12.312 2.532 -1.944 1.00 0.00 C ATOM 673 C ILE A 44 13.567 2.332 -1.097 1.00 0.00 C ATOM 674 O ILE A 44 14.504 3.124 -1.226 1.00 0.00 O ATOM 675 CB ILE A 44 12.476 2.126 -3.427 1.00 0.00 C ATOM 676 CG1 ILE A 44 11.155 2.360 -4.217 1.00 0.00 C ATOM 677 CG2 ILE A 44 12.999 0.676 -3.532 1.00 0.00 C ATOM 678 CD1 ILE A 44 10.446 1.134 -4.809 1.00 0.00 C ATOM 0 H ILE A 44 12.640 4.573 -2.220 1.00 0.00 H new ATOM 0 HA ILE A 44 11.527 1.871 -1.577 1.00 0.00 H new ATOM 0 HB ILE A 44 13.225 2.765 -3.894 1.00 0.00 H new ATOM 0 HG12 ILE A 44 10.453 2.864 -3.553 1.00 0.00 H new ATOM 0 HG13 ILE A 44 11.371 3.048 -5.034 1.00 0.00 H new ATOM 0 HG21 ILE A 44 13.109 0.404 -4.582 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.966 0.601 -3.034 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.291 -0.002 -3.054 1.00 0.00 H new ATOM 0 HD11 ILE A 44 9.543 1.452 -5.330 1.00 0.00 H new ATOM 0 HD12 ILE A 44 11.112 0.632 -5.511 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.179 0.446 -4.007 1.00 0.00 H new ATOM 690 N ALA A 45 13.579 1.320 -0.220 1.00 0.00 N ATOM 691 CA ALA A 45 14.679 1.050 0.698 1.00 0.00 C ATOM 692 C ALA A 45 14.899 -0.461 0.894 1.00 0.00 C ATOM 693 O ALA A 45 14.331 -1.295 0.181 1.00 0.00 O ATOM 694 CB ALA A 45 14.416 1.772 2.028 1.00 0.00 C ATOM 0 H ALA A 45 12.808 0.658 -0.132 1.00 0.00 H new ATOM 0 HA ALA A 45 15.604 1.435 0.269 1.00 0.00 H new ATOM 0 HB1 ALA A 45 15.236 1.573 2.718 1.00 0.00 H new ATOM 0 HB2 ALA A 45 14.343 2.845 1.851 1.00 0.00 H new ATOM 0 HB3 ALA A 45 13.483 1.411 2.460 1.00 0.00 H new ATOM 700 N GLY A 46 15.758 -0.799 1.859 1.00 0.00 N ATOM 701 CA GLY A 46 16.128 -2.150 2.248 1.00 0.00 C ATOM 702 C GLY A 46 16.965 -2.854 1.179 1.00 0.00 C ATOM 703 O GLY A 46 17.597 -2.191 0.348 1.00 0.00 O ATOM 0 H GLY A 46 16.237 -0.093 2.417 1.00 0.00 H new ATOM 0 HA2 GLY A 46 16.690 -2.116 3.182 1.00 0.00 H new ATOM 0 HA3 GLY A 46 15.226 -2.730 2.440 1.00 0.00 H new ATOM 707 N GLU A 47 16.972 -4.193 1.201 1.00 0.00 N ATOM 708 CA GLU A 47 17.794 -5.055 0.338 1.00 0.00 C ATOM 709 C GLU A 47 17.032 -5.679 -0.834 1.00 0.00 C ATOM 710 O GLU A 47 17.660 -6.309 -1.691 1.00 0.00 O ATOM 711 CB GLU A 47 18.426 -6.181 1.184 1.00 0.00 C ATOM 712 CG GLU A 47 19.890 -5.942 1.572 1.00 0.00 C ATOM 713 CD GLU A 47 20.071 -4.997 2.762 1.00 0.00 C ATOM 714 OE1 GLU A 47 19.680 -3.814 2.683 1.00 0.00 O ATOM 715 OE2 GLU A 47 20.648 -5.446 3.785 1.00 0.00 O ATOM 0 H GLU A 47 16.385 -4.726 1.843 1.00 0.00 H new ATOM 0 HA GLU A 47 18.555 -4.407 -0.096 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.839 -6.308 2.093 1.00 0.00 H new ATOM 0 HB3 GLU A 47 18.359 -7.116 0.628 1.00 0.00 H new ATOM 0 HG2 GLU A 47 20.354 -6.900 1.808 1.00 0.00 H new ATOM 0 HG3 GLU A 47 20.421 -5.533 0.712 1.00 0.00 H new ATOM 722 N HIS A 48 15.705 -5.538 -0.874 1.00 0.00 N ATOM 723 CA HIS A 48 14.841 -6.243 -1.812 1.00 0.00 C ATOM 724 C HIS A 48 13.916 -5.296 -2.592 1.00 0.00 C ATOM 725 O HIS A 48 12.882 -5.727 -3.114 1.00 0.00 O ATOM 726 CB HIS A 48 14.045 -7.302 -1.043 1.00 0.00 C ATOM 727 CG HIS A 48 14.791 -8.572 -0.752 1.00 0.00 C ATOM 728 ND1 HIS A 48 15.054 -9.579 -1.659 1.00 0.00 N ATOM 729 CD2 HIS A 48 15.130 -9.022 0.495 1.00 0.00 C ATOM 730 CE1 HIS A 48 15.543 -10.622 -0.963 1.00 0.00 C ATOM 731 NE2 HIS A 48 15.570 -10.340 0.353 1.00 0.00 N ATOM 0 H HIS A 48 15.196 -4.919 -0.243 1.00 0.00 H new ATOM 0 HA HIS A 48 15.465 -6.725 -2.565 1.00 0.00 H new ATOM 0 HB2 HIS A 48 13.712 -6.870 -0.099 1.00 0.00 H new ATOM 0 HB3 HIS A 48 13.150 -7.547 -1.614 1.00 0.00 H new ATOM 0 HD2 HIS A 48 15.069 -8.463 1.417 1.00 0.00 H new ATOM 0 HE1 HIS A 48 15.868 -11.555 -1.399 1.00 0.00 H new ATOM 0 HE2 HIS A 48 15.857 -10.969 1.103 1.00 0.00 H new ATOM 739 N ASN A 49 14.258 -4.006 -2.646 1.00 0.00 N ATOM 740 CA ASN A 49 13.445 -2.922 -3.177 1.00 0.00 C ATOM 741 C ASN A 49 12.095 -2.908 -2.453 1.00 0.00 C ATOM 742 O ASN A 49 11.045 -3.176 -3.043 1.00 0.00 O ATOM 743 CB ASN A 49 13.296 -3.020 -4.706 1.00 0.00 C ATOM 744 CG ASN A 49 14.579 -2.942 -5.529 1.00 0.00 C ATOM 745 OD1 ASN A 49 15.684 -2.752 -5.024 1.00 0.00 O ATOM 746 ND2 ASN A 49 14.470 -3.052 -6.839 1.00 0.00 N ATOM 0 H ASN A 49 15.160 -3.678 -2.300 1.00 0.00 H new ATOM 0 HA ASN A 49 13.944 -1.971 -2.992 1.00 0.00 H new ATOM 0 HB2 ASN A 49 12.800 -3.962 -4.939 1.00 0.00 H new ATOM 0 HB3 ASN A 49 12.632 -2.220 -5.035 1.00 0.00 H new ATOM 0 HD21 ASN A 49 15.300 -2.979 -7.428 1.00 0.00 H new ATOM 0 HD22 ASN A 49 13.556 -3.210 -7.263 1.00 0.00 H new ATOM 753 N ILE A 50 12.126 -2.595 -1.156 1.00 0.00 N ATOM 754 CA ILE A 50 11.011 -2.602 -0.206 1.00 0.00 C ATOM 755 C ILE A 50 10.623 -1.147 0.018 1.00 0.00 C ATOM 756 O ILE A 50 11.328 -0.456 0.756 1.00 0.00 O ATOM 757 CB ILE A 50 11.288 -3.351 1.123 1.00 0.00 C ATOM 758 CG1 ILE A 50 11.705 -4.802 0.803 1.00 0.00 C ATOM 759 CG2 ILE A 50 10.003 -3.357 1.980 1.00 0.00 C ATOM 760 CD1 ILE A 50 12.120 -5.603 2.036 1.00 0.00 C ATOM 0 H ILE A 50 12.997 -2.308 -0.709 1.00 0.00 H new ATOM 0 HA ILE A 50 10.188 -3.175 -0.633 1.00 0.00 H new ATOM 0 HB ILE A 50 12.087 -2.854 1.673 1.00 0.00 H new ATOM 0 HG12 ILE A 50 10.875 -5.310 0.312 1.00 0.00 H new ATOM 0 HG13 ILE A 50 12.533 -4.786 0.094 1.00 0.00 H new ATOM 0 HG21 ILE A 50 10.192 -3.883 2.916 1.00 0.00 H new ATOM 0 HG22 ILE A 50 9.704 -2.331 2.194 1.00 0.00 H new ATOM 0 HG23 ILE A 50 9.205 -3.862 1.436 1.00 0.00 H new ATOM 0 HD11 ILE A 50 12.400 -6.613 1.736 1.00 0.00 H new ATOM 0 HD12 ILE A 50 12.970 -5.118 2.516 1.00 0.00 H new ATOM 0 HD13 ILE A 50 11.286 -5.650 2.737 1.00 0.00 H new ATOM 772 N PRO A 51 9.716 -0.570 -0.782 1.00 0.00 N ATOM 773 CA PRO A 51 9.257 0.767 -0.508 1.00 0.00 C ATOM 774 C PRO A 51 8.462 0.855 0.780 1.00 0.00 C ATOM 775 O PRO A 51 7.741 -0.070 1.165 1.00 0.00 O ATOM 776 CB PRO A 51 8.413 1.174 -1.706 1.00 0.00 C ATOM 777 CG PRO A 51 7.805 -0.146 -2.136 1.00 0.00 C ATOM 778 CD PRO A 51 8.915 -1.154 -1.840 1.00 0.00 C ATOM 0 HA PRO A 51 10.104 1.438 -0.365 1.00 0.00 H new ATOM 0 HB2 PRO A 51 7.650 1.905 -1.437 1.00 0.00 H new ATOM 0 HB3 PRO A 51 9.017 1.620 -2.496 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.896 -0.372 -1.578 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.537 -0.141 -3.192 1.00 0.00 H new ATOM 0 HD2 PRO A 51 8.499 -2.112 -1.530 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.519 -1.341 -2.728 1.00 0.00 H new ATOM 786 N TRP A 52 8.556 2.034 1.383 1.00 0.00 N ATOM 787 CA TRP A 52 7.920 2.384 2.629 1.00 0.00 C ATOM 788 C TRP A 52 7.188 3.680 2.376 1.00 0.00 C ATOM 789 O TRP A 52 7.794 4.689 2.002 1.00 0.00 O ATOM 790 CB TRP A 52 8.955 2.539 3.745 1.00 0.00 C ATOM 791 CG TRP A 52 9.758 1.312 4.009 1.00 0.00 C ATOM 792 CD1 TRP A 52 10.873 0.952 3.341 1.00 0.00 C ATOM 793 CD2 TRP A 52 9.529 0.265 4.995 1.00 0.00 C ATOM 794 NE1 TRP A 52 11.337 -0.250 3.826 1.00 0.00 N ATOM 795 CE2 TRP A 52 10.535 -0.728 4.830 1.00 0.00 C ATOM 796 CE3 TRP A 52 8.584 0.053 6.018 1.00 0.00 C ATOM 797 CZ2 TRP A 52 10.593 -1.878 5.619 1.00 0.00 C ATOM 798 CZ3 TRP A 52 8.643 -1.092 6.830 1.00 0.00 C ATOM 799 CH2 TRP A 52 9.650 -2.056 6.638 1.00 0.00 C ATOM 0 H TRP A 52 9.104 2.800 0.992 1.00 0.00 H new ATOM 0 HA TRP A 52 7.232 1.605 2.957 1.00 0.00 H new ATOM 0 HB2 TRP A 52 9.632 3.354 3.487 1.00 0.00 H new ATOM 0 HB3 TRP A 52 8.443 2.829 4.662 1.00 0.00 H new ATOM 0 HD1 TRP A 52 11.332 1.521 2.546 1.00 0.00 H new ATOM 0 HE1 TRP A 52 12.172 -0.725 3.482 1.00 0.00 H new ATOM 0 HE3 TRP A 52 7.803 0.781 6.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 11.357 -2.622 5.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 7.908 -1.234 7.609 1.00 0.00 H new ATOM 0 HH2 TRP A 52 9.695 -2.928 7.273 1.00 0.00 H new ATOM 810 N LEU A 53 5.872 3.643 2.543 1.00 0.00 N ATOM 811 CA LEU A 53 5.074 4.843 2.640 1.00 0.00 C ATOM 812 C LEU A 53 5.368 5.451 4.004 1.00 0.00 C ATOM 813 O LEU A 53 4.939 4.945 5.049 1.00 0.00 O ATOM 814 CB LEU A 53 3.591 4.494 2.451 1.00 0.00 C ATOM 815 CG LEU A 53 2.812 5.481 1.571 1.00 0.00 C ATOM 816 CD1 LEU A 53 1.328 5.254 1.850 1.00 0.00 C ATOM 817 CD2 LEU A 53 3.112 6.951 1.798 1.00 0.00 C ATOM 0 H LEU A 53 5.335 2.778 2.614 1.00 0.00 H new ATOM 0 HA LEU A 53 5.317 5.568 1.863 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.518 3.499 2.011 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.115 4.446 3.430 1.00 0.00 H new ATOM 0 HG LEU A 53 3.114 5.280 0.543 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.735 5.938 1.243 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.064 4.226 1.601 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.124 5.436 2.905 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.505 7.555 1.123 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.879 7.215 2.829 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.168 7.141 1.605 1.00 0.00 H new ATOM 829 N LEU A 54 6.192 6.490 3.997 1.00 0.00 N ATOM 830 CA LEU A 54 6.461 7.271 5.189 1.00 0.00 C ATOM 831 C LEU A 54 5.246 8.199 5.352 1.00 0.00 C ATOM 832 O LEU A 54 4.631 8.602 4.362 1.00 0.00 O ATOM 833 CB LEU A 54 7.796 8.037 5.063 1.00 0.00 C ATOM 834 CG LEU A 54 8.964 7.409 4.276 1.00 0.00 C ATOM 835 CD1 LEU A 54 10.190 8.334 4.361 1.00 0.00 C ATOM 836 CD2 LEU A 54 9.323 6.015 4.788 1.00 0.00 C ATOM 0 H LEU A 54 6.689 6.811 3.167 1.00 0.00 H new ATOM 0 HA LEU A 54 6.585 6.648 6.075 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.576 9.002 4.606 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.154 8.237 6.073 1.00 0.00 H new ATOM 0 HG LEU A 54 8.648 7.298 3.239 1.00 0.00 H new ATOM 0 HD11 LEU A 54 11.018 7.893 3.806 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.943 9.306 3.933 1.00 0.00 H new ATOM 0 HD13 LEU A 54 10.479 8.460 5.404 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.151 5.614 4.203 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.616 6.077 5.836 1.00 0.00 H new ATOM 0 HD23 LEU A 54 8.459 5.358 4.691 1.00 0.00 H new ATOM 848 N TYR A 55 4.844 8.536 6.574 1.00 0.00 N ATOM 849 CA TYR A 55 3.614 9.303 6.763 1.00 0.00 C ATOM 850 C TYR A 55 3.888 10.811 6.674 1.00 0.00 C ATOM 851 O TYR A 55 4.094 11.449 7.706 1.00 0.00 O ATOM 852 CB TYR A 55 2.940 8.874 8.076 1.00 0.00 C ATOM 853 CG TYR A 55 1.526 9.397 8.260 1.00 0.00 C ATOM 854 CD1 TYR A 55 0.539 9.140 7.286 1.00 0.00 C ATOM 855 CD2 TYR A 55 1.190 10.134 9.411 1.00 0.00 C ATOM 856 CE1 TYR A 55 -0.783 9.585 7.475 1.00 0.00 C ATOM 857 CE2 TYR A 55 -0.127 10.589 9.601 1.00 0.00 C ATOM 858 CZ TYR A 55 -1.127 10.291 8.649 1.00 0.00 C ATOM 859 OH TYR A 55 -2.417 10.650 8.898 1.00 0.00 O ATOM 0 H TYR A 55 5.339 8.297 7.433 1.00 0.00 H new ATOM 0 HA TYR A 55 2.912 9.088 5.958 1.00 0.00 H new ATOM 0 HB2 TYR A 55 2.919 7.785 8.120 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.551 9.215 8.911 1.00 0.00 H new ATOM 0 HD1 TYR A 55 0.799 8.598 6.389 1.00 0.00 H new ATOM 0 HD2 TYR A 55 1.946 10.351 10.151 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -1.533 9.387 6.724 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.375 11.168 10.478 1.00 0.00 H new ATOM 0 HH TYR A 55 -3.016 9.921 8.633 1.00 0.00 H new ATOM 869 N LEU A 56 3.887 11.400 5.468 1.00 0.00 N ATOM 870 CA LEU A 56 4.030 12.853 5.267 1.00 0.00 C ATOM 871 C LEU A 56 3.135 13.390 4.141 1.00 0.00 C ATOM 872 O LEU A 56 3.578 13.405 2.993 1.00 0.00 O ATOM 873 CB LEU A 56 5.494 13.306 5.069 1.00 0.00 C ATOM 874 CG LEU A 56 5.845 14.507 5.974 1.00 0.00 C ATOM 875 CD1 LEU A 56 6.849 14.078 7.034 1.00 0.00 C ATOM 876 CD2 LEU A 56 6.445 15.673 5.194 1.00 0.00 C ATOM 0 H LEU A 56 3.786 10.878 4.597 1.00 0.00 H new ATOM 0 HA LEU A 56 3.685 13.295 6.202 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.165 12.476 5.289 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.654 13.577 4.025 1.00 0.00 H new ATOM 0 HG LEU A 56 4.912 14.841 6.427 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.093 14.929 7.670 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.418 13.283 7.642 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.756 13.715 6.550 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.673 16.490 5.879 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.360 15.348 4.700 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.731 16.016 4.445 1.00 0.00 H new ATOM 888 N PRO A 57 1.871 13.757 4.393 1.00 0.00 N ATOM 889 CA PRO A 57 1.045 14.382 3.361 1.00 0.00 C ATOM 890 C PRO A 57 1.708 15.673 2.853 1.00 0.00 C ATOM 891 O PRO A 57 2.420 16.357 3.595 1.00 0.00 O ATOM 892 CB PRO A 57 -0.282 14.651 4.050 1.00 0.00 C ATOM 893 CG PRO A 57 0.130 14.916 5.485 1.00 0.00 C ATOM 894 CD PRO A 57 1.235 13.885 5.697 1.00 0.00 C ATOM 0 HA PRO A 57 0.915 13.755 2.479 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.798 15.506 3.613 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.957 13.798 3.974 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.491 15.935 5.624 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.698 14.774 6.179 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.946 14.215 6.454 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.829 12.932 6.035 1.00 0.00 H new ATOM 902 N GLY A 58 1.462 16.021 1.590 1.00 0.00 N ATOM 903 CA GLY A 58 1.910 17.267 0.976 1.00 0.00 C ATOM 904 C GLY A 58 3.372 17.248 0.532 1.00 0.00 C ATOM 905 O GLY A 58 3.846 18.238 -0.031 1.00 0.00 O ATOM 0 H GLY A 58 0.932 15.428 0.951 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.281 17.482 0.112 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.766 18.082 1.685 1.00 0.00 H new ATOM 909 N LYS A 59 4.127 16.172 0.760 1.00 0.00 N ATOM 910 CA LYS A 59 5.552 16.137 0.476 1.00 0.00 C ATOM 911 C LYS A 59 5.808 14.820 -0.237 1.00 0.00 C ATOM 912 O LYS A 59 5.406 13.783 0.274 1.00 0.00 O ATOM 913 CB LYS A 59 6.258 16.318 1.835 1.00 0.00 C ATOM 914 CG LYS A 59 7.431 17.298 1.812 1.00 0.00 C ATOM 915 CD LYS A 59 8.800 16.724 1.420 1.00 0.00 C ATOM 916 CE LYS A 59 9.432 16.077 2.663 1.00 0.00 C ATOM 917 NZ LYS A 59 10.817 15.598 2.468 1.00 0.00 N ATOM 0 H LYS A 59 3.762 15.302 1.147 1.00 0.00 H new ATOM 0 HA LYS A 59 5.934 16.920 -0.179 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.527 16.662 2.567 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.618 15.347 2.176 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.188 18.103 1.119 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.520 17.746 2.802 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.688 15.987 0.625 1.00 0.00 H new ATOM 0 HD3 LYS A 59 9.445 17.513 1.034 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.423 16.801 3.478 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.811 15.237 2.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 11.329 15.640 3.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 10.800 14.616 2.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.298 16.201 1.770 1.00 0.00 H new ATOM 931 N GLY A 60 6.456 14.815 -1.396 1.00 0.00 N ATOM 932 CA GLY A 60 6.532 13.643 -2.269 1.00 0.00 C ATOM 933 C GLY A 60 5.502 13.750 -3.385 1.00 0.00 C ATOM 934 O GLY A 60 5.317 14.850 -3.906 1.00 0.00 O ATOM 0 H GLY A 60 6.949 15.630 -1.762 1.00 0.00 H new ATOM 0 HA2 GLY A 60 7.532 13.562 -2.694 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.358 12.737 -1.689 1.00 0.00 H new ATOM 938 N HIS A 61 4.877 12.642 -3.801 1.00 0.00 N ATOM 939 CA HIS A 61 3.905 12.639 -4.899 1.00 0.00 C ATOM 940 C HIS A 61 2.740 11.695 -4.607 1.00 0.00 C ATOM 941 O HIS A 61 2.782 10.928 -3.647 1.00 0.00 O ATOM 942 CB HIS A 61 4.524 12.205 -6.229 1.00 0.00 C ATOM 943 CG HIS A 61 5.846 12.796 -6.616 1.00 0.00 C ATOM 944 ND1 HIS A 61 6.031 13.824 -7.508 1.00 0.00 N ATOM 945 CD2 HIS A 61 7.071 12.271 -6.312 1.00 0.00 C ATOM 946 CE1 HIS A 61 7.349 13.912 -7.744 1.00 0.00 C ATOM 947 NE2 HIS A 61 8.029 13.005 -7.016 1.00 0.00 N ATOM 0 H HIS A 61 5.031 11.723 -3.386 1.00 0.00 H new ATOM 0 HA HIS A 61 3.556 13.669 -4.980 1.00 0.00 H new ATOM 0 HB2 HIS A 61 4.636 11.121 -6.207 1.00 0.00 H new ATOM 0 HB3 HIS A 61 3.811 12.436 -7.020 1.00 0.00 H new ATOM 0 HD2 HIS A 61 7.263 11.441 -5.649 1.00 0.00 H new ATOM 0 HE1 HIS A 61 7.804 14.615 -8.426 1.00 0.00 H new ATOM 0 HE2 HIS A 61 9.041 12.879 -6.985 1.00 0.00 H new ATOM 955 N CYS A 62 1.703 11.761 -5.441 1.00 0.00 N ATOM 956 CA CYS A 62 0.460 11.033 -5.286 1.00 0.00 C ATOM 957 C CYS A 62 0.634 9.552 -5.578 1.00 0.00 C ATOM 958 O CYS A 62 0.680 9.160 -6.736 1.00 0.00 O ATOM 959 CB CYS A 62 -0.610 11.657 -6.201 1.00 0.00 C ATOM 960 SG CYS A 62 -0.604 13.478 -6.168 1.00 0.00 S ATOM 0 H CYS A 62 1.714 12.349 -6.274 1.00 0.00 H new ATOM 0 HA CYS A 62 0.137 11.111 -4.248 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.448 11.318 -7.224 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -1.593 11.297 -5.898 1.00 0.00 H new ATOM 0 HG CYS A 62 -1.528 13.929 -6.963 1.00 0.00 H new ATOM 966 N VAL A 63 0.623 8.713 -4.548 1.00 0.00 N ATOM 967 CA VAL A 63 0.786 7.277 -4.676 1.00 0.00 C ATOM 968 C VAL A 63 -0.523 6.626 -5.162 1.00 0.00 C ATOM 969 O VAL A 63 -1.473 6.482 -4.378 1.00 0.00 O ATOM 970 CB VAL A 63 1.262 6.716 -3.323 1.00 0.00 C ATOM 971 CG1 VAL A 63 1.802 5.297 -3.499 1.00 0.00 C ATOM 972 CG2 VAL A 63 2.284 7.606 -2.592 1.00 0.00 C ATOM 0 H VAL A 63 0.498 9.022 -3.584 1.00 0.00 H new ATOM 0 HA VAL A 63 1.540 7.043 -5.428 1.00 0.00 H new ATOM 0 HB VAL A 63 0.383 6.699 -2.679 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.135 4.912 -2.535 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.015 4.655 -3.894 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.642 5.311 -4.194 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.566 7.137 -1.649 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.170 7.730 -3.215 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.841 8.582 -2.394 1.00 0.00 H new ATOM 982 N THR A 64 -0.615 6.288 -6.453 1.00 0.00 N ATOM 983 CA THR A 64 -1.845 5.703 -7.007 1.00 0.00 C ATOM 984 C THR A 64 -2.037 4.263 -6.480 1.00 0.00 C ATOM 985 O THR A 64 -1.081 3.679 -5.954 1.00 0.00 O ATOM 986 CB THR A 64 -1.890 5.816 -8.545 1.00 0.00 C ATOM 987 OG1 THR A 64 -0.997 4.921 -9.181 1.00 0.00 O ATOM 988 CG2 THR A 64 -1.583 7.224 -9.059 1.00 0.00 C ATOM 0 H THR A 64 0.139 6.407 -7.130 1.00 0.00 H new ATOM 0 HA THR A 64 -2.701 6.280 -6.657 1.00 0.00 H new ATOM 0 HB THR A 64 -2.919 5.559 -8.798 1.00 0.00 H new ATOM 0 HG1 THR A 64 -0.076 5.226 -9.045 1.00 0.00 H new ATOM 0 HG21 THR A 64 -1.632 7.232 -10.148 1.00 0.00 H new ATOM 0 HG22 THR A 64 -2.314 7.925 -8.658 1.00 0.00 H new ATOM 0 HG23 THR A 64 -0.584 7.519 -8.738 1.00 0.00 H new ATOM 996 N GLY A 65 -3.236 3.671 -6.602 1.00 0.00 N ATOM 997 CA GLY A 65 -3.487 2.342 -6.051 1.00 0.00 C ATOM 998 C GLY A 65 -4.938 1.899 -6.232 1.00 0.00 C ATOM 999 O GLY A 65 -5.643 2.419 -7.098 1.00 0.00 O ATOM 0 H GLY A 65 -4.036 4.092 -7.074 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.827 1.621 -6.534 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -3.239 2.339 -4.990 1.00 0.00 H new ATOM 1003 N GLU A 66 -5.403 0.925 -5.446 1.00 0.00 N ATOM 1004 CA GLU A 66 -6.754 0.363 -5.585 1.00 0.00 C ATOM 1005 C GLU A 66 -7.408 0.109 -4.221 1.00 0.00 C ATOM 1006 O GLU A 66 -6.712 0.020 -3.201 1.00 0.00 O ATOM 1007 CB GLU A 66 -6.676 -0.913 -6.446 1.00 0.00 C ATOM 1008 CG GLU A 66 -7.669 -0.853 -7.608 1.00 0.00 C ATOM 1009 CD GLU A 66 -7.315 -1.863 -8.699 1.00 0.00 C ATOM 1010 OE1 GLU A 66 -6.466 -1.521 -9.554 1.00 0.00 O ATOM 1011 OE2 GLU A 66 -7.927 -2.952 -8.749 1.00 0.00 O ATOM 0 H GLU A 66 -4.857 0.502 -4.696 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.397 1.086 -6.088 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.664 -1.033 -6.834 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.886 -1.786 -5.828 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.675 -1.052 -7.239 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.677 0.152 -8.030 1.00 0.00 H new ATOM 1018 N ILE A 67 -8.740 -0.006 -4.175 1.00 0.00 N ATOM 1019 CA ILE A 67 -9.492 -0.112 -2.927 1.00 0.00 C ATOM 1020 C ILE A 67 -10.126 -1.487 -2.870 1.00 0.00 C ATOM 1021 O ILE A 67 -10.883 -1.892 -3.756 1.00 0.00 O ATOM 1022 CB ILE A 67 -10.510 1.039 -2.756 1.00 0.00 C ATOM 1023 CG1 ILE A 67 -9.695 2.338 -2.611 1.00 0.00 C ATOM 1024 CG2 ILE A 67 -11.382 0.821 -1.503 1.00 0.00 C ATOM 1025 CD1 ILE A 67 -10.498 3.628 -2.499 1.00 0.00 C ATOM 0 H ILE A 67 -9.327 -0.028 -5.009 1.00 0.00 H new ATOM 0 HA ILE A 67 -8.816 -0.003 -2.079 1.00 0.00 H new ATOM 0 HB ILE A 67 -11.181 1.085 -3.614 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -9.064 2.249 -1.727 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -9.029 2.422 -3.470 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -12.090 1.644 -1.405 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -11.928 -0.118 -1.598 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -10.746 0.782 -0.619 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -9.817 4.473 -2.402 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -11.109 3.755 -3.393 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -11.144 3.580 -1.622 1.00 0.00 H new ATOM 1037 N TYR A 68 -9.815 -2.181 -1.781 1.00 0.00 N ATOM 1038 CA TYR A 68 -10.407 -3.448 -1.446 1.00 0.00 C ATOM 1039 C TYR A 68 -11.225 -3.238 -0.178 1.00 0.00 C ATOM 1040 O TYR A 68 -10.699 -2.800 0.850 1.00 0.00 O ATOM 1041 CB TYR A 68 -9.320 -4.534 -1.375 1.00 0.00 C ATOM 1042 CG TYR A 68 -8.629 -4.712 -2.722 1.00 0.00 C ATOM 1043 CD1 TYR A 68 -9.363 -5.236 -3.804 1.00 0.00 C ATOM 1044 CD2 TYR A 68 -7.301 -4.289 -2.937 1.00 0.00 C ATOM 1045 CE1 TYR A 68 -8.848 -5.211 -5.116 1.00 0.00 C ATOM 1046 CE2 TYR A 68 -6.770 -4.311 -4.235 1.00 0.00 C ATOM 1047 CZ TYR A 68 -7.547 -4.710 -5.343 1.00 0.00 C ATOM 1048 OH TYR A 68 -7.009 -4.609 -6.593 1.00 0.00 O ATOM 0 H TYR A 68 -9.128 -1.862 -1.098 1.00 0.00 H new ATOM 0 HA TYR A 68 -11.093 -3.817 -2.208 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -8.583 -4.266 -0.618 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -9.766 -5.479 -1.065 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -10.338 -5.665 -3.625 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -6.697 -3.951 -2.108 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -9.444 -5.572 -5.941 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -5.743 -4.016 -4.390 1.00 0.00 H new ATOM 0 HH TYR A 68 -7.519 -3.956 -7.117 1.00 0.00 H new ATOM 1058 N GLU A 69 -12.529 -3.497 -0.273 1.00 0.00 N ATOM 1059 CA GLU A 69 -13.354 -3.882 0.858 1.00 0.00 C ATOM 1060 C GLU A 69 -12.698 -5.129 1.433 1.00 0.00 C ATOM 1061 O GLU A 69 -12.662 -6.156 0.751 1.00 0.00 O ATOM 1062 CB GLU A 69 -14.771 -4.201 0.353 1.00 0.00 C ATOM 1063 CG GLU A 69 -15.712 -4.777 1.421 1.00 0.00 C ATOM 1064 CD GLU A 69 -16.771 -5.687 0.790 1.00 0.00 C ATOM 1065 OE1 GLU A 69 -17.521 -5.244 -0.111 1.00 0.00 O ATOM 1066 OE2 GLU A 69 -16.874 -6.872 1.172 1.00 0.00 O ATOM 0 H GLU A 69 -13.043 -3.443 -1.152 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.434 -3.097 1.610 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -15.213 -3.290 -0.050 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -14.698 -4.911 -0.471 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -15.134 -5.340 2.154 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -16.200 -3.963 1.957 1.00 0.00 H new ATOM 1073 N VAL A 70 -12.171 -5.049 2.653 1.00 0.00 N ATOM 1074 CA VAL A 70 -11.642 -6.213 3.345 1.00 0.00 C ATOM 1075 C VAL A 70 -12.489 -6.477 4.587 1.00 0.00 C ATOM 1076 O VAL A 70 -13.143 -5.561 5.100 1.00 0.00 O ATOM 1077 CB VAL A 70 -10.137 -6.047 3.630 1.00 0.00 C ATOM 1078 CG1 VAL A 70 -9.324 -5.952 2.330 1.00 0.00 C ATOM 1079 CG2 VAL A 70 -9.802 -4.857 4.532 1.00 0.00 C ATOM 0 H VAL A 70 -12.101 -4.180 3.183 1.00 0.00 H new ATOM 0 HA VAL A 70 -11.712 -7.100 2.715 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.855 -6.948 4.174 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.267 -5.836 2.570 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.466 -6.861 1.745 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.662 -5.092 1.752 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.724 -4.809 4.685 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -10.143 -3.936 4.060 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.300 -4.978 5.494 1.00 0.00 H new ATOM 1089 N ASP A 71 -12.519 -7.718 5.076 1.00 0.00 N ATOM 1090 CA ASP A 71 -13.139 -7.986 6.374 1.00 0.00 C ATOM 1091 C ASP A 71 -12.125 -7.752 7.481 1.00 0.00 C ATOM 1092 O ASP A 71 -10.923 -7.620 7.248 1.00 0.00 O ATOM 1093 CB ASP A 71 -13.700 -9.413 6.503 1.00 0.00 C ATOM 1094 CG ASP A 71 -15.228 -9.466 6.452 1.00 0.00 C ATOM 1095 OD1 ASP A 71 -15.870 -8.677 7.187 1.00 0.00 O ATOM 1096 OD2 ASP A 71 -15.765 -10.383 5.790 1.00 0.00 O ATOM 0 H ASP A 71 -12.131 -8.536 4.606 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.982 -7.301 6.461 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -13.294 -10.030 5.701 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -13.359 -9.847 7.443 1.00 0.00 H new ATOM 1101 N GLU A 72 -12.636 -7.833 8.702 1.00 0.00 N ATOM 1102 CA GLU A 72 -11.874 -7.854 9.943 1.00 0.00 C ATOM 1103 C GLU A 72 -10.787 -8.921 9.874 1.00 0.00 C ATOM 1104 O GLU A 72 -9.629 -8.619 10.134 1.00 0.00 O ATOM 1105 CB GLU A 72 -12.834 -8.097 11.121 1.00 0.00 C ATOM 1106 CG GLU A 72 -13.160 -6.807 11.892 1.00 0.00 C ATOM 1107 CD GLU A 72 -12.466 -6.648 13.253 1.00 0.00 C ATOM 1108 OE1 GLU A 72 -11.951 -7.646 13.806 1.00 0.00 O ATOM 1109 OE2 GLU A 72 -12.495 -5.542 13.843 1.00 0.00 O ATOM 0 H GLU A 72 -13.642 -7.889 8.862 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.380 -6.894 10.093 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -13.759 -8.536 10.747 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -12.390 -8.822 11.803 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.892 -5.955 11.267 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.238 -6.762 12.048 1.00 0.00 H new ATOM 1116 N GLN A 73 -11.138 -10.151 9.484 1.00 0.00 N ATOM 1117 CA GLN A 73 -10.179 -11.244 9.391 1.00 0.00 C ATOM 1118 C GLN A 73 -9.013 -10.896 8.461 1.00 0.00 C ATOM 1119 O GLN A 73 -7.880 -11.215 8.789 1.00 0.00 O ATOM 1120 CB GLN A 73 -10.907 -12.530 8.970 1.00 0.00 C ATOM 1121 CG GLN A 73 -9.996 -13.749 8.747 1.00 0.00 C ATOM 1122 CD GLN A 73 -9.056 -14.094 9.900 1.00 0.00 C ATOM 1123 OE1 GLN A 73 -7.918 -14.489 9.687 1.00 0.00 O ATOM 1124 NE2 GLN A 73 -9.470 -13.937 11.148 1.00 0.00 N ATOM 0 H GLN A 73 -12.090 -10.411 9.227 1.00 0.00 H new ATOM 0 HA GLN A 73 -9.734 -11.413 10.372 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.643 -12.780 9.734 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -11.457 -12.333 8.050 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -10.624 -14.616 8.543 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -9.396 -13.573 7.854 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -10.418 -13.608 11.333 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -8.841 -14.145 11.924 1.00 0.00 H new ATOM 1133 N MET A 74 -9.265 -10.217 7.341 1.00 0.00 N ATOM 1134 CA MET A 74 -8.205 -9.833 6.418 1.00 0.00 C ATOM 1135 C MET A 74 -7.372 -8.707 7.030 1.00 0.00 C ATOM 1136 O MET A 74 -6.153 -8.803 7.070 1.00 0.00 O ATOM 1137 CB MET A 74 -8.834 -9.460 5.072 1.00 0.00 C ATOM 1138 CG MET A 74 -7.847 -8.925 4.028 1.00 0.00 C ATOM 1139 SD MET A 74 -6.564 -10.074 3.464 1.00 0.00 S ATOM 1140 CE MET A 74 -7.610 -11.363 2.767 1.00 0.00 C ATOM 0 H MET A 74 -10.198 -9.923 7.054 1.00 0.00 H new ATOM 0 HA MET A 74 -7.519 -10.661 6.239 1.00 0.00 H new ATOM 0 HB2 MET A 74 -9.332 -10.339 4.664 1.00 0.00 H new ATOM 0 HB3 MET A 74 -9.604 -8.708 5.243 1.00 0.00 H new ATOM 0 HG2 MET A 74 -8.416 -8.595 3.159 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.357 -8.043 4.442 1.00 0.00 H new ATOM 0 HE1 MET A 74 -6.987 -12.119 2.289 1.00 0.00 H new ATOM 0 HE2 MET A 74 -8.196 -11.825 3.561 1.00 0.00 H new ATOM 0 HE3 MET A 74 -8.282 -10.926 2.028 1.00 0.00 H new ATOM 1150 N LEU A 75 -7.998 -7.648 7.553 1.00 0.00 N ATOM 1151 CA LEU A 75 -7.268 -6.548 8.214 1.00 0.00 C ATOM 1152 C LEU A 75 -6.513 -6.996 9.476 1.00 0.00 C ATOM 1153 O LEU A 75 -5.724 -6.239 10.041 1.00 0.00 O ATOM 1154 CB LEU A 75 -8.219 -5.393 8.574 1.00 0.00 C ATOM 1155 CG LEU A 75 -7.726 -4.024 8.052 1.00 0.00 C ATOM 1156 CD1 LEU A 75 -8.727 -2.927 8.420 1.00 0.00 C ATOM 1157 CD2 LEU A 75 -6.365 -3.577 8.603 1.00 0.00 C ATOM 0 H LEU A 75 -9.010 -7.524 7.534 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.527 -6.207 7.490 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.206 -5.600 8.161 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.330 -5.345 9.657 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.627 -4.165 6.976 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.369 -1.968 8.047 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -9.695 -3.152 7.972 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.832 -2.879 9.504 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.102 -2.607 8.181 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -6.420 -3.497 9.689 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.604 -4.309 8.331 1.00 0.00 H new ATOM 1169 N ARG A 76 -6.804 -8.188 9.984 1.00 0.00 N ATOM 1170 CA ARG A 76 -6.034 -8.877 11.017 1.00 0.00 C ATOM 1171 C ARG A 76 -4.903 -9.680 10.391 1.00 0.00 C ATOM 1172 O ARG A 76 -3.754 -9.420 10.711 1.00 0.00 O ATOM 1173 CB ARG A 76 -6.966 -9.775 11.837 1.00 0.00 C ATOM 1174 CG ARG A 76 -7.846 -8.947 12.771 1.00 0.00 C ATOM 1175 CD ARG A 76 -8.809 -9.858 13.527 1.00 0.00 C ATOM 1176 NE ARG A 76 -9.675 -9.035 14.368 1.00 0.00 N ATOM 1177 CZ ARG A 76 -9.352 -8.406 15.497 1.00 0.00 C ATOM 1178 NH1 ARG A 76 -8.195 -8.629 16.116 1.00 0.00 N ATOM 1179 NH2 ARG A 76 -10.216 -7.513 15.958 1.00 0.00 N ATOM 0 H ARG A 76 -7.615 -8.724 9.676 1.00 0.00 H new ATOM 0 HA ARG A 76 -5.585 -8.142 11.685 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -7.594 -10.362 11.166 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -6.375 -10.481 12.420 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -7.224 -8.397 13.477 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -8.406 -8.209 12.197 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -9.407 -10.440 12.826 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -8.254 -10.569 14.139 1.00 0.00 H new ATOM 0 HE ARG A 76 -10.640 -8.930 14.054 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -7.529 -9.296 15.727 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -7.975 -8.133 16.979 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -11.083 -7.334 15.452 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -10.014 -7.005 16.819 1.00 0.00 H new ATOM 1193 N PHE A 77 -5.200 -10.600 9.480 1.00 0.00 N ATOM 1194 CA PHE A 77 -4.220 -11.434 8.800 1.00 0.00 C ATOM 1195 C PHE A 77 -3.112 -10.606 8.137 1.00 0.00 C ATOM 1196 O PHE A 77 -1.933 -10.944 8.240 1.00 0.00 O ATOM 1197 CB PHE A 77 -4.964 -12.273 7.759 1.00 0.00 C ATOM 1198 CG PHE A 77 -4.053 -12.897 6.730 1.00 0.00 C ATOM 1199 CD1 PHE A 77 -3.392 -14.111 6.988 1.00 0.00 C ATOM 1200 CD2 PHE A 77 -3.833 -12.219 5.519 1.00 0.00 C ATOM 1201 CE1 PHE A 77 -2.563 -14.678 6.003 1.00 0.00 C ATOM 1202 CE2 PHE A 77 -2.991 -12.772 4.548 1.00 0.00 C ATOM 1203 CZ PHE A 77 -2.367 -14.012 4.777 1.00 0.00 C ATOM 0 H PHE A 77 -6.158 -10.790 9.187 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.725 -12.073 9.531 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -5.519 -13.061 8.268 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -5.696 -11.644 7.252 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -3.520 -14.606 7.939 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -4.315 -11.270 5.337 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -2.076 -15.625 6.187 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -2.820 -12.246 3.621 1.00 0.00 H new ATOM 0 HZ PHE A 77 -1.740 -14.452 4.016 1.00 0.00 H new ATOM 1213 N LEU A 78 -3.466 -9.523 7.440 1.00 0.00 N ATOM 1214 CA LEU A 78 -2.492 -8.661 6.774 1.00 0.00 C ATOM 1215 C LEU A 78 -1.605 -7.961 7.802 1.00 0.00 C ATOM 1216 O LEU A 78 -0.454 -7.643 7.505 1.00 0.00 O ATOM 1217 CB LEU A 78 -3.196 -7.559 5.963 1.00 0.00 C ATOM 1218 CG LEU A 78 -4.040 -7.988 4.754 1.00 0.00 C ATOM 1219 CD1 LEU A 78 -4.817 -6.756 4.269 1.00 0.00 C ATOM 1220 CD2 LEU A 78 -3.227 -8.566 3.590 1.00 0.00 C ATOM 0 H LEU A 78 -4.433 -9.222 7.323 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.899 -9.298 6.118 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.843 -7.004 6.643 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.434 -6.864 5.610 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.696 -8.794 5.083 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.428 -7.027 3.408 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.460 -6.392 5.071 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.115 -5.973 3.983 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.900 -8.843 2.779 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.518 -7.818 3.234 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.684 -9.448 3.928 1.00 0.00 H new ATOM 1232 N ASP A 79 -2.134 -7.741 9.008 1.00 0.00 N ATOM 1233 CA ASP A 79 -1.445 -7.157 10.157 1.00 0.00 C ATOM 1234 C ASP A 79 -0.510 -8.176 10.819 1.00 0.00 C ATOM 1235 O ASP A 79 -0.008 -7.958 11.920 1.00 0.00 O ATOM 1236 CB ASP A 79 -2.484 -6.625 11.152 1.00 0.00 C ATOM 1237 CG ASP A 79 -2.063 -5.363 11.900 1.00 0.00 C ATOM 1238 OD1 ASP A 79 -1.792 -4.348 11.221 1.00 0.00 O ATOM 1239 OD2 ASP A 79 -2.373 -5.249 13.112 1.00 0.00 O ATOM 0 H ASP A 79 -3.104 -7.978 9.218 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.823 -6.329 9.817 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.410 -6.421 10.615 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.703 -7.406 11.880 1.00 0.00 H new ATOM 1244 N ASP A 80 -0.312 -9.313 10.151 1.00 0.00 N ATOM 1245 CA ASP A 80 0.694 -10.328 10.411 1.00 0.00 C ATOM 1246 C ASP A 80 1.507 -10.621 9.132 1.00 0.00 C ATOM 1247 O ASP A 80 2.466 -11.395 9.190 1.00 0.00 O ATOM 1248 CB ASP A 80 -0.016 -11.581 10.962 1.00 0.00 C ATOM 1249 CG ASP A 80 0.900 -12.627 11.603 1.00 0.00 C ATOM 1250 OD1 ASP A 80 2.103 -12.409 11.854 1.00 0.00 O ATOM 1251 OD2 ASP A 80 0.403 -13.743 11.904 1.00 0.00 O ATOM 0 H ASP A 80 -0.899 -9.561 9.354 1.00 0.00 H new ATOM 0 HA ASP A 80 1.411 -9.981 11.155 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -0.752 -11.265 11.702 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -0.565 -12.054 10.148 1.00 0.00 H new ATOM 1256 N PHE A 81 1.179 -10.039 7.955 1.00 0.00 N ATOM 1257 CA PHE A 81 1.954 -10.314 6.747 1.00 0.00 C ATOM 1258 C PHE A 81 3.078 -9.278 6.777 1.00 0.00 C ATOM 1259 O PHE A 81 4.249 -9.606 6.601 1.00 0.00 O ATOM 1260 CB PHE A 81 1.151 -10.172 5.428 1.00 0.00 C ATOM 1261 CG PHE A 81 1.257 -8.925 4.547 1.00 0.00 C ATOM 1262 CD1 PHE A 81 2.473 -8.679 3.873 1.00 0.00 C ATOM 1263 CD2 PHE A 81 0.145 -8.123 4.234 1.00 0.00 C ATOM 1264 CE1 PHE A 81 2.585 -7.626 2.949 1.00 0.00 C ATOM 1265 CE2 PHE A 81 0.238 -7.099 3.275 1.00 0.00 C ATOM 1266 CZ PHE A 81 1.460 -6.850 2.632 1.00 0.00 C ATOM 0 H PHE A 81 0.400 -9.393 7.828 1.00 0.00 H new ATOM 0 HA PHE A 81 2.293 -11.350 6.752 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.420 -11.023 4.802 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.098 -10.286 5.686 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.328 -9.308 4.070 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -0.794 -8.296 4.738 1.00 0.00 H new ATOM 0 HE1 PHE A 81 3.536 -7.414 2.483 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.631 -6.504 3.033 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.534 -6.064 1.895 1.00 0.00 H new ATOM 1276 N GLU A 82 2.712 -8.008 6.998 1.00 0.00 N ATOM 1277 CA GLU A 82 3.608 -6.860 6.939 1.00 0.00 C ATOM 1278 C GLU A 82 4.523 -6.792 8.167 1.00 0.00 C ATOM 1279 O GLU A 82 5.311 -5.863 8.261 1.00 0.00 O ATOM 1280 CB GLU A 82 2.793 -5.556 6.844 1.00 0.00 C ATOM 1281 CG GLU A 82 2.252 -5.133 5.469 1.00 0.00 C ATOM 1282 CD GLU A 82 3.290 -4.790 4.376 1.00 0.00 C ATOM 1283 OE1 GLU A 82 4.447 -5.267 4.428 1.00 0.00 O ATOM 1284 OE2 GLU A 82 2.952 -4.040 3.424 1.00 0.00 O ATOM 0 H GLU A 82 1.753 -7.750 7.230 1.00 0.00 H new ATOM 0 HA GLU A 82 4.230 -6.977 6.052 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.944 -5.644 7.522 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.418 -4.745 7.219 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.619 -5.937 5.093 1.00 0.00 H new ATOM 0 HG3 GLU A 82 1.611 -4.263 5.611 1.00 0.00 H new ATOM 1291 N ASP A 83 4.433 -7.737 9.107 1.00 0.00 N ATOM 1292 CA ASP A 83 5.192 -7.774 10.364 1.00 0.00 C ATOM 1293 C ASP A 83 4.982 -6.523 11.236 1.00 0.00 C ATOM 1294 O ASP A 83 5.787 -6.222 12.117 1.00 0.00 O ATOM 1295 CB ASP A 83 6.690 -8.068 10.125 1.00 0.00 C ATOM 1296 CG ASP A 83 7.242 -9.050 11.165 1.00 0.00 C ATOM 1297 OD1 ASP A 83 7.064 -10.276 10.969 1.00 0.00 O ATOM 1298 OD2 ASP A 83 7.770 -8.606 12.210 1.00 0.00 O ATOM 0 H ASP A 83 3.802 -8.533 9.010 1.00 0.00 H new ATOM 0 HA ASP A 83 4.785 -8.608 10.936 1.00 0.00 H new ATOM 0 HB2 ASP A 83 6.826 -8.480 9.125 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.256 -7.137 10.166 1.00 0.00 H new ATOM 1303 N CYS A 84 3.916 -5.745 11.030 1.00 0.00 N ATOM 1304 CA CYS A 84 3.519 -4.716 11.983 1.00 0.00 C ATOM 1305 C CYS A 84 3.262 -5.353 13.368 1.00 0.00 C ATOM 1306 O CYS A 84 3.006 -6.555 13.452 1.00 0.00 O ATOM 1307 CB CYS A 84 2.297 -3.960 11.443 1.00 0.00 C ATOM 1308 SG CYS A 84 1.198 -5.067 10.532 1.00 0.00 S ATOM 0 H CYS A 84 3.314 -5.812 10.209 1.00 0.00 H new ATOM 0 HA CYS A 84 4.321 -3.989 12.111 1.00 0.00 H new ATOM 0 HB2 CYS A 84 1.754 -3.503 12.270 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.625 -3.151 10.791 1.00 0.00 H new ATOM 0 HG CYS A 84 -0.030 -4.661 10.660 1.00 0.00 H new ATOM 1314 N PRO A 85 3.330 -4.593 14.474 1.00 0.00 N ATOM 1315 CA PRO A 85 3.758 -3.198 14.569 1.00 0.00 C ATOM 1316 C PRO A 85 5.277 -2.997 14.383 1.00 0.00 C ATOM 1317 O PRO A 85 5.723 -1.851 14.401 1.00 0.00 O ATOM 1318 CB PRO A 85 3.320 -2.761 15.965 1.00 0.00 C ATOM 1319 CG PRO A 85 3.454 -4.037 16.790 1.00 0.00 C ATOM 1320 CD PRO A 85 3.004 -5.108 15.799 1.00 0.00 C ATOM 0 HA PRO A 85 3.313 -2.607 13.768 1.00 0.00 H new ATOM 0 HB2 PRO A 85 3.952 -1.963 16.353 1.00 0.00 H new ATOM 0 HB3 PRO A 85 2.296 -2.386 15.967 1.00 0.00 H new ATOM 0 HG2 PRO A 85 4.478 -4.198 17.127 1.00 0.00 H new ATOM 0 HG3 PRO A 85 2.825 -4.015 17.680 1.00 0.00 H new ATOM 0 HD2 PRO A 85 3.515 -6.052 15.987 1.00 0.00 H new ATOM 0 HD3 PRO A 85 1.935 -5.300 15.891 1.00 0.00 H new ATOM 1328 N SER A 86 6.086 -4.056 14.248 1.00 0.00 N ATOM 1329 CA SER A 86 7.538 -3.965 14.098 1.00 0.00 C ATOM 1330 C SER A 86 7.930 -3.157 12.865 1.00 0.00 C ATOM 1331 O SER A 86 8.584 -2.120 12.981 1.00 0.00 O ATOM 1332 CB SER A 86 8.153 -5.363 14.017 1.00 0.00 C ATOM 1333 OG SER A 86 7.818 -6.096 15.183 1.00 0.00 O ATOM 0 H SER A 86 5.740 -5.016 14.240 1.00 0.00 H new ATOM 0 HA SER A 86 7.924 -3.448 14.976 1.00 0.00 H new ATOM 0 HB2 SER A 86 7.787 -5.882 13.131 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.236 -5.290 13.919 1.00 0.00 H new ATOM 0 HG SER A 86 8.211 -6.992 15.130 1.00 0.00 H new ATOM 1339 N MET A 87 7.550 -3.631 11.680 1.00 0.00 N ATOM 1340 CA MET A 87 7.949 -3.008 10.430 1.00 0.00 C ATOM 1341 C MET A 87 7.148 -1.720 10.195 1.00 0.00 C ATOM 1342 O MET A 87 7.728 -0.642 10.055 1.00 0.00 O ATOM 1343 CB MET A 87 7.739 -4.017 9.300 1.00 0.00 C ATOM 1344 CG MET A 87 8.831 -5.079 9.193 1.00 0.00 C ATOM 1345 SD MET A 87 8.582 -6.344 7.908 1.00 0.00 S ATOM 1346 CE MET A 87 8.096 -5.369 6.463 1.00 0.00 C ATOM 0 H MET A 87 6.959 -4.455 11.565 1.00 0.00 H new ATOM 0 HA MET A 87 9.002 -2.727 10.465 1.00 0.00 H new ATOM 0 HB2 MET A 87 6.779 -4.513 9.446 1.00 0.00 H new ATOM 0 HB3 MET A 87 7.679 -3.478 8.354 1.00 0.00 H new ATOM 0 HG2 MET A 87 9.781 -4.579 9.005 1.00 0.00 H new ATOM 0 HG3 MET A 87 8.920 -5.580 10.157 1.00 0.00 H new ATOM 0 HE1 MET A 87 7.901 -6.036 5.623 1.00 0.00 H new ATOM 0 HE2 MET A 87 7.194 -4.802 6.693 1.00 0.00 H new ATOM 0 HE3 MET A 87 8.900 -4.681 6.201 1.00 0.00 H new ATOM 1356 N TYR A 88 5.821 -1.817 10.136 1.00 0.00 N ATOM 1357 CA TYR A 88 4.884 -0.728 9.849 1.00 0.00 C ATOM 1358 C TYR A 88 3.948 -0.543 11.048 1.00 0.00 C ATOM 1359 O TYR A 88 4.000 -1.357 11.964 1.00 0.00 O ATOM 1360 CB TYR A 88 4.049 -1.129 8.639 1.00 0.00 C ATOM 1361 CG TYR A 88 4.725 -1.104 7.291 1.00 0.00 C ATOM 1362 CD1 TYR A 88 4.736 0.085 6.540 1.00 0.00 C ATOM 1363 CD2 TYR A 88 5.217 -2.298 6.733 1.00 0.00 C ATOM 1364 CE1 TYR A 88 5.206 0.080 5.219 1.00 0.00 C ATOM 1365 CE2 TYR A 88 5.686 -2.313 5.412 1.00 0.00 C ATOM 1366 CZ TYR A 88 5.662 -1.128 4.645 1.00 0.00 C ATOM 1367 OH TYR A 88 6.025 -1.151 3.339 1.00 0.00 O ATOM 0 H TYR A 88 5.343 -2.704 10.295 1.00 0.00 H new ATOM 0 HA TYR A 88 5.427 0.198 9.656 1.00 0.00 H new ATOM 0 HB2 TYR A 88 3.673 -2.138 8.809 1.00 0.00 H new ATOM 0 HB3 TYR A 88 3.183 -0.469 8.594 1.00 0.00 H new ATOM 0 HD1 TYR A 88 4.381 1.004 6.982 1.00 0.00 H new ATOM 0 HD2 TYR A 88 5.233 -3.203 7.322 1.00 0.00 H new ATOM 0 HE1 TYR A 88 5.219 0.994 4.644 1.00 0.00 H new ATOM 0 HE2 TYR A 88 6.065 -3.229 4.982 1.00 0.00 H new ATOM 0 HH TYR A 88 6.772 -0.533 3.196 1.00 0.00 H new ATOM 1377 N GLN A 89 3.070 0.476 11.052 1.00 0.00 N ATOM 1378 CA GLN A 89 2.222 0.767 12.227 1.00 0.00 C ATOM 1379 C GLN A 89 0.713 0.876 11.950 1.00 0.00 C ATOM 1380 O GLN A 89 -0.082 0.776 12.882 1.00 0.00 O ATOM 1381 CB GLN A 89 2.742 2.034 12.915 1.00 0.00 C ATOM 1382 CG GLN A 89 4.177 1.879 13.449 1.00 0.00 C ATOM 1383 CD GLN A 89 5.191 2.728 12.676 1.00 0.00 C ATOM 1384 OE1 GLN A 89 5.089 3.953 12.629 1.00 0.00 O ATOM 1385 NE2 GLN A 89 6.197 2.133 12.058 1.00 0.00 N ATOM 0 H GLN A 89 2.928 1.108 10.264 1.00 0.00 H new ATOM 0 HA GLN A 89 2.306 -0.102 12.880 1.00 0.00 H new ATOM 0 HB2 GLN A 89 2.710 2.864 12.209 1.00 0.00 H new ATOM 0 HB3 GLN A 89 2.078 2.292 13.740 1.00 0.00 H new ATOM 0 HG2 GLN A 89 4.201 2.161 14.502 1.00 0.00 H new ATOM 0 HG3 GLN A 89 4.470 0.831 13.393 1.00 0.00 H new ATOM 0 HE21 GLN A 89 6.288 1.118 12.093 1.00 0.00 H new ATOM 0 HE22 GLN A 89 6.882 2.689 11.547 1.00 0.00 H new ATOM 1394 N ARG A 90 0.333 0.995 10.676 1.00 0.00 N ATOM 1395 CA ARG A 90 -1.023 1.229 10.135 1.00 0.00 C ATOM 1396 C ARG A 90 -1.648 2.552 10.572 1.00 0.00 C ATOM 1397 O ARG A 90 -1.852 2.795 11.756 1.00 0.00 O ATOM 1398 CB ARG A 90 -1.964 0.060 10.457 1.00 0.00 C ATOM 1399 CG ARG A 90 -3.335 0.148 9.745 1.00 0.00 C ATOM 1400 CD ARG A 90 -4.458 0.826 10.549 1.00 0.00 C ATOM 1401 NE ARG A 90 -4.570 0.242 11.888 1.00 0.00 N ATOM 1402 CZ ARG A 90 -5.571 0.271 12.761 1.00 0.00 C ATOM 1403 NH1 ARG A 90 -6.740 0.814 12.444 1.00 0.00 N ATOM 1404 NH2 ARG A 90 -5.385 -0.269 13.954 1.00 0.00 N ATOM 0 H ARG A 90 1.020 0.925 9.925 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.891 1.296 9.055 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -1.478 -0.874 10.175 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -2.126 0.022 11.534 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.204 0.691 8.809 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.656 -0.861 9.486 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.258 1.895 10.630 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.405 0.718 10.021 1.00 0.00 H new ATOM 0 HE ARG A 90 -3.745 -0.270 12.201 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.880 1.218 11.518 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.498 0.828 13.127 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.488 -0.695 14.187 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -6.139 -0.259 14.641 1.00 0.00 H new ATOM 1418 N THR A 91 -2.065 3.354 9.592 1.00 0.00 N ATOM 1419 CA THR A 91 -2.578 4.698 9.812 1.00 0.00 C ATOM 1420 C THR A 91 -3.854 4.885 8.976 1.00 0.00 C ATOM 1421 O THR A 91 -4.172 4.076 8.100 1.00 0.00 O ATOM 1422 CB THR A 91 -1.452 5.689 9.451 1.00 0.00 C ATOM 1423 OG1 THR A 91 -0.232 5.274 10.022 1.00 0.00 O ATOM 1424 CG2 THR A 91 -1.673 7.116 9.941 1.00 0.00 C ATOM 0 H THR A 91 -2.054 3.080 8.610 1.00 0.00 H new ATOM 0 HA THR A 91 -2.860 4.876 10.850 1.00 0.00 H new ATOM 0 HB THR A 91 -1.442 5.690 8.361 1.00 0.00 H new ATOM 0 HG1 THR A 91 0.483 5.348 9.356 1.00 0.00 H new ATOM 0 HG21 THR A 91 -0.830 7.739 9.640 1.00 0.00 H new ATOM 0 HG22 THR A 91 -2.591 7.512 9.506 1.00 0.00 H new ATOM 0 HG23 THR A 91 -1.756 7.119 11.028 1.00 0.00 H new ATOM 1432 N ALA A 92 -4.606 5.950 9.239 1.00 0.00 N ATOM 1433 CA ALA A 92 -5.760 6.399 8.470 1.00 0.00 C ATOM 1434 C ALA A 92 -5.371 7.657 7.685 1.00 0.00 C ATOM 1435 O ALA A 92 -4.905 8.628 8.281 1.00 0.00 O ATOM 1436 CB ALA A 92 -6.935 6.563 9.431 1.00 0.00 C ATOM 0 H ALA A 92 -4.415 6.555 10.038 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.081 5.677 7.719 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.813 6.899 8.879 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -7.151 5.607 9.908 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -6.682 7.300 10.193 1.00 0.00 H new ATOM 1442 N LEU A 93 -5.543 7.626 6.359 1.00 0.00 N ATOM 1443 CA LEU A 93 -4.987 8.589 5.387 1.00 0.00 C ATOM 1444 C LEU A 93 -6.060 9.191 4.482 1.00 0.00 C ATOM 1445 O LEU A 93 -7.230 9.075 4.840 1.00 0.00 O ATOM 1446 CB LEU A 93 -3.841 7.945 4.603 1.00 0.00 C ATOM 1447 CG LEU A 93 -4.072 6.969 3.462 1.00 0.00 C ATOM 1448 CD1 LEU A 93 -2.694 6.719 2.838 1.00 0.00 C ATOM 1449 CD2 LEU A 93 -5.215 5.975 3.733 1.00 0.00 C ATOM 0 H LEU A 93 -6.098 6.898 5.908 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.577 9.432 5.942 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.245 8.762 4.197 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.218 7.428 5.333 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.607 7.258 2.558 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -2.792 6.021 2.007 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.283 7.661 2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.026 6.297 3.589 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.327 5.307 2.879 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.985 5.390 4.623 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.144 6.523 3.889 1.00 0.00 H new ATOM 1461 N GLN A 94 -5.714 9.836 3.353 1.00 0.00 N ATOM 1462 CA GLN A 94 -6.697 10.451 2.458 1.00 0.00 C ATOM 1463 C GLN A 94 -6.473 10.097 0.976 1.00 0.00 C ATOM 1464 O GLN A 94 -5.343 10.160 0.484 1.00 0.00 O ATOM 1465 CB GLN A 94 -6.698 11.977 2.674 1.00 0.00 C ATOM 1466 CG GLN A 94 -7.764 12.769 1.896 1.00 0.00 C ATOM 1467 CD GLN A 94 -9.171 12.721 2.495 1.00 0.00 C ATOM 1468 OE1 GLN A 94 -9.748 13.757 2.802 1.00 0.00 O ATOM 1469 NE2 GLN A 94 -9.781 11.555 2.662 1.00 0.00 N ATOM 0 H GLN A 94 -4.749 9.942 3.041 1.00 0.00 H new ATOM 0 HA GLN A 94 -7.675 10.043 2.711 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -6.833 12.173 3.738 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -5.716 12.363 2.401 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -7.448 13.810 1.833 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -7.806 12.387 0.876 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -9.305 10.689 2.408 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -10.726 11.524 3.044 1.00 0.00 H new ATOM 1478 N VAL A 95 -7.550 9.733 0.255 1.00 0.00 N ATOM 1479 CA VAL A 95 -7.452 9.100 -1.076 1.00 0.00 C ATOM 1480 C VAL A 95 -8.627 9.245 -2.025 1.00 0.00 C ATOM 1481 O VAL A 95 -9.704 8.745 -1.745 1.00 0.00 O ATOM 1482 CB VAL A 95 -7.051 7.647 -0.841 1.00 0.00 C ATOM 1483 CG1 VAL A 95 -7.745 6.927 0.276 1.00 0.00 C ATOM 1484 CG2 VAL A 95 -6.909 6.734 -2.061 1.00 0.00 C ATOM 0 H VAL A 95 -8.509 9.868 0.576 1.00 0.00 H new ATOM 0 HA VAL A 95 -6.700 9.657 -1.635 1.00 0.00 H new ATOM 0 HB VAL A 95 -6.032 7.847 -0.509 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.371 5.905 0.338 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -7.551 7.442 1.217 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.818 6.910 0.086 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.620 5.735 -1.736 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -7.861 6.683 -2.590 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -6.145 7.134 -2.728 1.00 0.00 H new ATOM 1494 N GLN A 96 -8.408 9.888 -3.168 1.00 0.00 N ATOM 1495 CA GLN A 96 -9.425 10.236 -4.142 1.00 0.00 C ATOM 1496 C GLN A 96 -10.134 8.981 -4.592 1.00 0.00 C ATOM 1497 O GLN A 96 -9.489 7.976 -4.893 1.00 0.00 O ATOM 1498 CB GLN A 96 -8.816 10.989 -5.325 1.00 0.00 C ATOM 1499 CG GLN A 96 -9.783 11.113 -6.511 1.00 0.00 C ATOM 1500 CD GLN A 96 -9.279 12.018 -7.629 1.00 0.00 C ATOM 1501 OE1 GLN A 96 -8.328 11.703 -8.337 1.00 0.00 O ATOM 1502 NE2 GLN A 96 -9.948 13.131 -7.833 1.00 0.00 N ATOM 0 H GLN A 96 -7.475 10.192 -3.448 1.00 0.00 H new ATOM 0 HA GLN A 96 -10.152 10.904 -3.680 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -8.516 11.985 -5.000 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -7.912 10.475 -5.651 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -9.971 10.120 -6.918 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -10.738 11.496 -6.150 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -10.735 13.371 -7.230 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -9.680 13.755 -8.594 1.00 0.00 H new ATOM 1511 N VAL A 97 -11.457 9.038 -4.607 1.00 0.00 N ATOM 1512 CA VAL A 97 -12.323 8.113 -5.300 1.00 0.00 C ATOM 1513 C VAL A 97 -12.125 8.405 -6.781 1.00 0.00 C ATOM 1514 O VAL A 97 -12.599 9.417 -7.303 1.00 0.00 O ATOM 1515 CB VAL A 97 -13.767 8.294 -4.798 1.00 0.00 C ATOM 1516 CG1 VAL A 97 -14.726 7.348 -5.526 1.00 0.00 C ATOM 1517 CG2 VAL A 97 -13.822 7.986 -3.292 1.00 0.00 C ATOM 0 H VAL A 97 -11.974 9.765 -4.112 1.00 0.00 H new ATOM 0 HA VAL A 97 -12.093 7.064 -5.116 1.00 0.00 H new ATOM 0 HB VAL A 97 -14.070 9.323 -4.993 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -15.739 7.497 -5.151 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -14.700 7.556 -6.596 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -14.423 6.316 -5.350 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -14.843 8.113 -2.932 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -13.501 6.959 -3.119 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -13.161 8.668 -2.757 1.00 0.00 H new ATOM 1527 N LEU A 98 -11.342 7.558 -7.449 1.00 0.00 N ATOM 1528 CA LEU A 98 -11.308 7.576 -8.903 1.00 0.00 C ATOM 1529 C LEU A 98 -12.610 6.990 -9.436 1.00 0.00 C ATOM 1530 O LEU A 98 -13.085 7.398 -10.493 1.00 0.00 O ATOM 1531 CB LEU A 98 -10.109 6.774 -9.442 1.00 0.00 C ATOM 1532 CG LEU A 98 -9.170 7.593 -10.337 1.00 0.00 C ATOM 1533 CD1 LEU A 98 -9.933 8.265 -11.483 1.00 0.00 C ATOM 1534 CD2 LEU A 98 -8.360 8.599 -9.506 1.00 0.00 C ATOM 0 H LEU A 98 -10.735 6.864 -7.012 1.00 0.00 H new ATOM 0 HA LEU A 98 -11.197 8.607 -9.240 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -9.540 6.378 -8.600 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -10.480 5.919 -10.007 1.00 0.00 H new ATOM 0 HG LEU A 98 -8.457 6.908 -10.797 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -9.237 8.837 -12.097 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -10.416 7.503 -12.095 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -10.690 8.934 -11.073 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.702 9.167 -10.163 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -9.040 9.281 -8.996 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -7.762 8.064 -8.768 1.00 0.00 H new ATOM 1546 N GLU A 99 -13.144 6.005 -8.712 1.00 0.00 N ATOM 1547 CA GLU A 99 -14.396 5.328 -8.961 1.00 0.00 C ATOM 1548 C GLU A 99 -14.749 4.596 -7.664 1.00 0.00 C ATOM 1549 O GLU A 99 -13.848 4.160 -6.944 1.00 0.00 O ATOM 1550 CB GLU A 99 -14.163 4.344 -10.111 1.00 0.00 C ATOM 1551 CG GLU A 99 -15.433 3.677 -10.638 1.00 0.00 C ATOM 1552 CD GLU A 99 -15.166 3.085 -12.023 1.00 0.00 C ATOM 1553 OE1 GLU A 99 -14.127 2.400 -12.201 1.00 0.00 O ATOM 1554 OE2 GLU A 99 -15.921 3.354 -12.981 1.00 0.00 O ATOM 0 H GLU A 99 -12.673 5.643 -7.883 1.00 0.00 H new ATOM 0 HA GLU A 99 -15.208 6.000 -9.238 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -13.677 4.872 -10.932 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -13.473 3.570 -9.776 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -15.755 2.893 -9.953 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -16.242 4.405 -10.693 1.00 0.00 H new ATOM 1561 N TRP A 100 -16.035 4.427 -7.377 1.00 0.00 N ATOM 1562 CA TRP A 100 -16.559 3.646 -6.265 1.00 0.00 C ATOM 1563 C TRP A 100 -17.526 2.624 -6.854 1.00 0.00 C ATOM 1564 O TRP A 100 -18.352 2.977 -7.707 1.00 0.00 O ATOM 1565 CB TRP A 100 -17.229 4.583 -5.244 1.00 0.00 C ATOM 1566 CG TRP A 100 -17.635 3.950 -3.947 1.00 0.00 C ATOM 1567 CD1 TRP A 100 -18.890 3.644 -3.523 1.00 0.00 C ATOM 1568 CD2 TRP A 100 -16.741 3.535 -2.871 1.00 0.00 C ATOM 1569 NE1 TRP A 100 -18.807 2.982 -2.322 1.00 0.00 N ATOM 1570 CE2 TRP A 100 -17.516 2.883 -1.872 1.00 0.00 C ATOM 1571 CE3 TRP A 100 -15.351 3.630 -2.640 1.00 0.00 C ATOM 1572 CZ2 TRP A 100 -16.947 2.284 -0.743 1.00 0.00 C ATOM 1573 CZ3 TRP A 100 -14.768 3.067 -1.488 1.00 0.00 C ATOM 1574 CH2 TRP A 100 -15.558 2.365 -0.559 1.00 0.00 C ATOM 0 H TRP A 100 -16.773 4.850 -7.939 1.00 0.00 H new ATOM 0 HA TRP A 100 -15.772 3.119 -5.725 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -16.544 5.403 -5.028 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -18.114 5.020 -5.706 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -19.804 3.883 -4.046 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -19.613 2.607 -1.823 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -14.726 4.142 -3.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 -17.567 1.768 -0.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -13.707 3.175 -1.317 1.00 0.00 H new ATOM 0 HH2 TRP A 100 -15.096 1.890 0.294 1.00 0.00 H new ATOM 1585 N GLU A 101 -17.409 1.361 -6.450 1.00 0.00 N ATOM 1586 CA GLU A 101 -18.265 0.290 -6.922 1.00 0.00 C ATOM 1587 C GLU A 101 -18.929 -0.330 -5.703 1.00 0.00 C ATOM 1588 O GLU A 101 -18.272 -1.047 -4.953 1.00 0.00 O ATOM 1589 CB GLU A 101 -17.471 -0.734 -7.753 1.00 0.00 C ATOM 1590 CG GLU A 101 -16.715 -0.059 -8.911 1.00 0.00 C ATOM 1591 CD GLU A 101 -16.463 -0.921 -10.153 1.00 0.00 C ATOM 1592 OE1 GLU A 101 -17.286 -1.802 -10.493 1.00 0.00 O ATOM 1593 OE2 GLU A 101 -15.486 -0.643 -10.885 1.00 0.00 O ATOM 0 H GLU A 101 -16.706 1.055 -5.777 1.00 0.00 H new ATOM 0 HA GLU A 101 -19.032 0.673 -7.595 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -16.762 -1.255 -7.109 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -18.152 -1.486 -8.152 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -17.275 0.825 -9.216 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -15.753 0.288 -8.535 1.00 0.00 H new ATOM 1600 N GLY A 102 -20.203 -0.014 -5.477 1.00 0.00 N ATOM 1601 CA GLY A 102 -21.023 -0.553 -4.409 1.00 0.00 C ATOM 1602 C GLY A 102 -21.556 0.531 -3.484 1.00 0.00 C ATOM 1603 O GLY A 102 -21.408 1.734 -3.701 1.00 0.00 O ATOM 0 H GLY A 102 -20.707 0.653 -6.061 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -21.860 -1.103 -4.839 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -20.437 -1.266 -3.829 1.00 0.00 H new ATOM 1607 N ASP A 103 -22.206 0.064 -2.424 1.00 0.00 N ATOM 1608 CA ASP A 103 -22.652 0.846 -1.280 1.00 0.00 C ATOM 1609 C ASP A 103 -21.580 1.717 -0.666 1.00 0.00 C ATOM 1610 O ASP A 103 -20.395 1.389 -0.698 1.00 0.00 O ATOM 1611 CB ASP A 103 -23.267 -0.086 -0.221 1.00 0.00 C ATOM 1612 CG ASP A 103 -22.800 0.109 1.227 1.00 0.00 C ATOM 1613 OD1 ASP A 103 -21.819 -0.578 1.607 1.00 0.00 O ATOM 1614 OD2 ASP A 103 -23.451 0.864 1.986 1.00 0.00 O ATOM 0 H ASP A 103 -22.448 -0.923 -2.336 1.00 0.00 H new ATOM 0 HA ASP A 103 -23.405 1.538 -1.657 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -24.350 0.037 -0.248 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -23.056 -1.115 -0.510 1.00 0.00 H new ATOM 1619 N GLY A 104 -22.028 2.758 0.023 1.00 0.00 N ATOM 1620 CA GLY A 104 -21.271 3.257 1.136 1.00 0.00 C ATOM 1621 C GLY A 104 -20.249 4.259 0.626 1.00 0.00 C ATOM 1622 O GLY A 104 -19.050 4.081 0.802 1.00 0.00 O ATOM 0 H GLY A 104 -22.896 3.257 -0.172 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -21.934 3.730 1.861 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -20.770 2.436 1.650 1.00 0.00 H new ATOM 1626 N ASP A 105 -20.777 5.363 0.108 1.00 0.00 N ATOM 1627 CA ASP A 105 -20.299 6.340 -0.867 1.00 0.00 C ATOM 1628 C ASP A 105 -19.828 7.600 -0.121 1.00 0.00 C ATOM 1629 O ASP A 105 -20.666 8.358 0.369 1.00 0.00 O ATOM 1630 CB ASP A 105 -21.473 6.660 -1.807 1.00 0.00 C ATOM 1631 CG ASP A 105 -21.220 7.791 -2.807 1.00 0.00 C ATOM 1632 OD1 ASP A 105 -20.703 7.467 -3.895 1.00 0.00 O ATOM 1633 OD2 ASP A 105 -21.636 8.950 -2.553 1.00 0.00 O ATOM 0 H ASP A 105 -21.710 5.637 0.418 1.00 0.00 H new ATOM 0 HA ASP A 105 -19.459 5.956 -1.446 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -21.730 5.757 -2.362 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -22.341 6.920 -1.202 1.00 0.00 H new ATOM 1638 N PRO A 106 -18.551 7.671 0.288 1.00 0.00 N ATOM 1639 CA PRO A 106 -18.033 8.688 1.205 1.00 0.00 C ATOM 1640 C PRO A 106 -17.902 10.111 0.635 1.00 0.00 C ATOM 1641 O PRO A 106 -17.691 11.034 1.423 1.00 0.00 O ATOM 1642 CB PRO A 106 -16.646 8.180 1.602 1.00 0.00 C ATOM 1643 CG PRO A 106 -16.206 7.400 0.371 1.00 0.00 C ATOM 1644 CD PRO A 106 -17.487 6.778 -0.135 1.00 0.00 C ATOM 0 HA PRO A 106 -18.742 8.801 2.025 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -15.964 9.000 1.826 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -16.686 7.547 2.489 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -15.755 8.053 -0.377 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -15.464 6.642 0.621 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -17.470 6.675 -1.220 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -17.627 5.779 0.278 1.00 0.00 H new ATOM 1652 N GLY A 107 -17.936 10.320 -0.686 1.00 0.00 N ATOM 1653 CA GLY A 107 -17.519 11.575 -1.301 1.00 0.00 C ATOM 1654 C GLY A 107 -16.180 11.410 -2.019 1.00 0.00 C ATOM 1655 O GLY A 107 -15.741 10.287 -2.268 1.00 0.00 O ATOM 0 H GLY A 107 -18.255 9.620 -1.355 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -18.278 11.908 -2.009 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -17.434 12.349 -0.538 1.00 0.00 H new ATOM 1659 N ASP A 108 -15.552 12.517 -2.406 1.00 0.00 N ATOM 1660 CA ASP A 108 -14.492 12.525 -3.422 1.00 0.00 C ATOM 1661 C ASP A 108 -13.183 11.851 -2.989 1.00 0.00 C ATOM 1662 O ASP A 108 -12.373 11.573 -3.871 1.00 0.00 O ATOM 1663 CB ASP A 108 -14.101 13.946 -3.859 1.00 0.00 C ATOM 1664 CG ASP A 108 -15.169 14.793 -4.576 1.00 0.00 C ATOM 1665 OD1 ASP A 108 -15.680 14.378 -5.646 1.00 0.00 O ATOM 1666 OD2 ASP A 108 -15.404 15.938 -4.126 1.00 0.00 O ATOM 0 H ASP A 108 -15.761 13.440 -2.025 1.00 0.00 H new ATOM 0 HA ASP A 108 -14.946 11.959 -4.235 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -13.778 14.493 -2.973 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -13.236 13.868 -4.518 1.00 0.00 H new ATOM 1671 N SER A 109 -12.901 11.611 -1.700 1.00 0.00 N ATOM 1672 CA SER A 109 -11.646 11.028 -1.232 1.00 0.00 C ATOM 1673 C SER A 109 -11.905 10.244 0.045 1.00 0.00 C ATOM 1674 O SER A 109 -12.901 10.578 0.693 1.00 0.00 O ATOM 1675 CB SER A 109 -10.596 12.123 -0.997 1.00 0.00 C ATOM 1676 OG SER A 109 -11.082 13.240 -0.264 1.00 0.00 O ATOM 0 H SER A 109 -13.553 11.822 -0.945 1.00 0.00 H new ATOM 0 HA SER A 109 -11.255 10.353 -1.993 1.00 0.00 H new ATOM 0 HB2 SER A 109 -9.749 11.692 -0.464 1.00 0.00 H new ATOM 0 HB3 SER A 109 -10.223 12.468 -1.961 1.00 0.00 H new ATOM 0 HG SER A 109 -10.362 13.895 -0.150 1.00 0.00 H new ATOM 1682 N VAL A 110 -11.070 9.253 0.441 1.00 0.00 N ATOM 1683 CA VAL A 110 -11.565 8.396 1.518 1.00 0.00 C ATOM 1684 C VAL A 110 -10.538 8.329 2.609 1.00 0.00 C ATOM 1685 O VAL A 110 -9.351 8.572 2.374 1.00 0.00 O ATOM 1686 CB VAL A 110 -12.076 7.022 1.034 1.00 0.00 C ATOM 1687 CG1 VAL A 110 -13.004 7.196 -0.161 1.00 0.00 C ATOM 1688 CG2 VAL A 110 -10.996 6.033 0.587 1.00 0.00 C ATOM 0 H VAL A 110 -10.143 9.046 0.069 1.00 0.00 H new ATOM 0 HA VAL A 110 -12.464 8.849 1.937 1.00 0.00 H new ATOM 0 HB VAL A 110 -12.569 6.609 1.914 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -13.357 6.220 -0.493 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -13.856 7.812 0.127 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -12.464 7.681 -0.974 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -11.465 5.102 0.268 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -10.433 6.460 -0.243 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -10.320 5.832 1.418 1.00 0.00 H new ATOM 1698 N GLN A 111 -11.010 8.001 3.800 1.00 0.00 N ATOM 1699 CA GLN A 111 -10.167 7.577 4.877 1.00 0.00 C ATOM 1700 C GLN A 111 -10.218 6.056 4.914 1.00 0.00 C ATOM 1701 O GLN A 111 -10.992 5.436 5.640 1.00 0.00 O ATOM 1702 CB GLN A 111 -10.514 8.325 6.167 1.00 0.00 C ATOM 1703 CG GLN A 111 -9.484 7.945 7.225 1.00 0.00 C ATOM 1704 CD GLN A 111 -9.273 9.013 8.293 1.00 0.00 C ATOM 1705 OE1 GLN A 111 -10.201 9.510 8.921 1.00 0.00 O ATOM 1706 NE2 GLN A 111 -8.019 9.349 8.542 1.00 0.00 N ATOM 0 H GLN A 111 -12.002 8.026 4.037 1.00 0.00 H new ATOM 0 HA GLN A 111 -9.119 7.842 4.735 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -10.506 9.402 5.997 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -11.518 8.063 6.501 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -9.798 7.019 7.708 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -8.532 7.742 6.735 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -7.261 8.924 8.008 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -7.809 10.034 9.268 1.00 0.00 H new ATOM 1715 N CYS A 112 -9.396 5.456 4.058 1.00 0.00 N ATOM 1716 CA CYS A 112 -9.025 4.052 4.173 1.00 0.00 C ATOM 1717 C CYS A 112 -8.021 3.927 5.317 1.00 0.00 C ATOM 1718 O CYS A 112 -7.419 4.920 5.742 1.00 0.00 O ATOM 1719 CB CYS A 112 -8.391 3.572 2.855 1.00 0.00 C ATOM 1720 SG CYS A 112 -9.690 3.092 1.683 1.00 0.00 S ATOM 0 H CYS A 112 -8.968 5.932 3.264 1.00 0.00 H new ATOM 0 HA CYS A 112 -9.903 3.438 4.374 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -7.778 4.365 2.427 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -7.731 2.726 3.046 1.00 0.00 H new ATOM 0 HG CYS A 112 -9.146 2.690 0.573 1.00 0.00 H new ATOM 1726 N PHE A 113 -7.768 2.701 5.773 1.00 0.00 N ATOM 1727 CA PHE A 113 -6.502 2.414 6.433 1.00 0.00 C ATOM 1728 C PHE A 113 -5.446 2.135 5.368 1.00 0.00 C ATOM 1729 O PHE A 113 -5.720 1.450 4.378 1.00 0.00 O ATOM 1730 CB PHE A 113 -6.625 1.270 7.442 1.00 0.00 C ATOM 1731 CG PHE A 113 -7.555 1.583 8.595 1.00 0.00 C ATOM 1732 CD1 PHE A 113 -7.164 2.513 9.576 1.00 0.00 C ATOM 1733 CD2 PHE A 113 -8.819 0.973 8.670 1.00 0.00 C ATOM 1734 CE1 PHE A 113 -8.044 2.852 10.620 1.00 0.00 C ATOM 1735 CE2 PHE A 113 -9.690 1.295 9.726 1.00 0.00 C ATOM 1736 CZ PHE A 113 -9.306 2.237 10.697 1.00 0.00 C ATOM 0 H PHE A 113 -8.408 1.910 5.699 1.00 0.00 H new ATOM 0 HA PHE A 113 -6.197 3.283 7.016 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -6.983 0.378 6.927 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -5.636 1.035 7.836 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -6.186 2.968 9.527 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -9.121 0.259 7.918 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -7.751 3.582 11.360 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -10.657 0.818 9.791 1.00 0.00 H new ATOM 0 HZ PHE A 113 -9.981 2.488 11.502 1.00 0.00 H new ATOM 1746 N VAL A 114 -4.255 2.691 5.577 1.00 0.00 N ATOM 1747 CA VAL A 114 -3.045 2.501 4.798 1.00 0.00 C ATOM 1748 C VAL A 114 -1.900 2.216 5.772 1.00 0.00 C ATOM 1749 O VAL A 114 -1.703 2.941 6.749 1.00 0.00 O ATOM 1750 CB VAL A 114 -2.836 3.673 3.793 1.00 0.00 C ATOM 1751 CG1 VAL A 114 -1.402 3.720 3.265 1.00 0.00 C ATOM 1752 CG2 VAL A 114 -3.742 3.407 2.594 1.00 0.00 C ATOM 0 H VAL A 114 -4.105 3.333 6.355 1.00 0.00 H new ATOM 0 HA VAL A 114 -3.106 1.634 4.141 1.00 0.00 H new ATOM 0 HB VAL A 114 -3.056 4.611 4.302 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -1.298 4.551 2.567 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -0.712 3.857 4.098 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -1.172 2.786 2.753 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -3.625 4.208 1.864 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -3.469 2.456 2.136 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -4.780 3.366 2.924 1.00 0.00 H new ATOM 1762 N TYR A 115 -1.168 1.121 5.541 1.00 0.00 N ATOM 1763 CA TYR A 115 0.068 0.828 6.248 1.00 0.00 C ATOM 1764 C TYR A 115 1.082 1.907 5.914 1.00 0.00 C ATOM 1765 O TYR A 115 1.438 2.071 4.744 1.00 0.00 O ATOM 1766 CB TYR A 115 0.608 -0.574 5.927 1.00 0.00 C ATOM 1767 CG TYR A 115 -0.297 -1.707 6.365 1.00 0.00 C ATOM 1768 CD1 TYR A 115 -0.724 -1.757 7.701 1.00 0.00 C ATOM 1769 CD2 TYR A 115 -0.598 -2.776 5.501 1.00 0.00 C ATOM 1770 CE1 TYR A 115 -1.432 -2.864 8.189 1.00 0.00 C ATOM 1771 CE2 TYR A 115 -1.338 -3.875 5.972 1.00 0.00 C ATOM 1772 CZ TYR A 115 -1.774 -3.912 7.317 1.00 0.00 C ATOM 1773 OH TYR A 115 -2.564 -4.920 7.762 1.00 0.00 O ATOM 0 H TYR A 115 -1.424 0.413 4.853 1.00 0.00 H new ATOM 0 HA TYR A 115 -0.130 0.828 7.320 1.00 0.00 H new ATOM 0 HB2 TYR A 115 0.771 -0.650 4.852 1.00 0.00 H new ATOM 0 HB3 TYR A 115 1.579 -0.695 6.406 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -0.504 -0.932 8.362 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -0.260 -2.752 4.475 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -1.714 -2.911 9.231 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -1.574 -4.692 5.306 1.00 0.00 H new ATOM 0 HH TYR A 115 -3.381 -4.958 7.222 1.00 0.00 H new ATOM 1783 N THR A 116 1.523 2.633 6.940 1.00 0.00 N ATOM 1784 CA THR A 116 2.628 3.570 6.870 1.00 0.00 C ATOM 1785 C THR A 116 3.575 3.289 8.027 1.00 0.00 C ATOM 1786 O THR A 116 3.330 2.403 8.858 1.00 0.00 O ATOM 1787 CB THR A 116 2.133 5.036 6.872 1.00 0.00 C ATOM 1788 OG1 THR A 116 1.570 5.398 8.113 1.00 0.00 O ATOM 1789 CG2 THR A 116 1.055 5.287 5.824 1.00 0.00 C ATOM 0 H THR A 116 1.104 2.579 7.868 1.00 0.00 H new ATOM 0 HA THR A 116 3.161 3.434 5.929 1.00 0.00 H new ATOM 0 HB THR A 116 3.021 5.630 6.656 1.00 0.00 H new ATOM 0 HG1 THR A 116 1.270 6.330 8.077 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.742 6.330 5.867 1.00 0.00 H new ATOM 0 HG22 THR A 116 1.453 5.068 4.833 1.00 0.00 H new ATOM 0 HG23 THR A 116 0.198 4.643 6.022 1.00 0.00 H new ATOM 1797 N THR A 117 4.643 4.070 8.083 1.00 0.00 N ATOM 1798 CA THR A 117 5.569 4.127 9.189 1.00 0.00 C ATOM 1799 C THR A 117 5.766 5.602 9.560 1.00 0.00 C ATOM 1800 O THR A 117 5.581 6.492 8.720 1.00 0.00 O ATOM 1801 CB THR A 117 6.852 3.362 8.803 1.00 0.00 C ATOM 1802 OG1 THR A 117 7.865 3.623 9.759 1.00 0.00 O ATOM 1803 CG2 THR A 117 7.346 3.654 7.370 1.00 0.00 C ATOM 0 H THR A 117 4.893 4.705 7.325 1.00 0.00 H new ATOM 0 HA THR A 117 5.199 3.632 10.087 1.00 0.00 H new ATOM 0 HB THR A 117 6.604 2.301 8.807 1.00 0.00 H new ATOM 0 HG1 THR A 117 8.679 3.135 9.514 1.00 0.00 H new ATOM 0 HG21 THR A 117 8.251 3.080 7.173 1.00 0.00 H new ATOM 0 HG22 THR A 117 6.574 3.371 6.654 1.00 0.00 H new ATOM 0 HG23 THR A 117 7.562 4.718 7.269 1.00 0.00 H new ATOM 1811 N ALA A 118 6.147 5.843 10.818 1.00 0.00 N ATOM 1812 CA ALA A 118 6.498 7.125 11.414 1.00 0.00 C ATOM 1813 C ALA A 118 7.941 7.129 11.949 1.00 0.00 C ATOM 1814 O ALA A 118 8.430 8.176 12.367 1.00 0.00 O ATOM 1815 CB ALA A 118 5.505 7.442 12.536 1.00 0.00 C ATOM 0 H ALA A 118 6.222 5.084 11.495 1.00 0.00 H new ATOM 0 HA ALA A 118 6.443 7.894 10.644 1.00 0.00 H new ATOM 0 HB1 ALA A 118 5.760 8.400 12.988 1.00 0.00 H new ATOM 0 HB2 ALA A 118 4.496 7.492 12.126 1.00 0.00 H new ATOM 0 HB3 ALA A 118 5.551 6.660 13.294 1.00 0.00 H new ATOM 1821 N THR A 119 8.638 5.989 11.935 1.00 0.00 N ATOM 1822 CA THR A 119 9.972 5.821 12.508 1.00 0.00 C ATOM 1823 C THR A 119 10.837 5.140 11.453 1.00 0.00 C ATOM 1824 O THR A 119 11.204 3.975 11.570 1.00 0.00 O ATOM 1825 CB THR A 119 9.903 5.103 13.875 1.00 0.00 C ATOM 1826 OG1 THR A 119 11.192 4.691 14.292 1.00 0.00 O ATOM 1827 CG2 THR A 119 8.960 3.893 13.925 1.00 0.00 C ATOM 0 H THR A 119 8.277 5.134 11.512 1.00 0.00 H new ATOM 0 HA THR A 119 10.440 6.776 12.747 1.00 0.00 H new ATOM 0 HB THR A 119 9.489 5.850 14.552 1.00 0.00 H new ATOM 0 HG1 THR A 119 11.127 4.240 15.160 1.00 0.00 H new ATOM 0 HG21 THR A 119 8.980 3.457 14.924 1.00 0.00 H new ATOM 0 HG22 THR A 119 7.945 4.213 13.689 1.00 0.00 H new ATOM 0 HG23 THR A 119 9.284 3.149 13.198 1.00 0.00 H new ATOM 1835 N TYR A 120 11.135 5.879 10.394 1.00 0.00 N ATOM 1836 CA TYR A 120 11.771 5.378 9.186 1.00 0.00 C ATOM 1837 C TYR A 120 13.291 5.591 9.155 1.00 0.00 C ATOM 1838 O TYR A 120 13.908 5.303 8.135 1.00 0.00 O ATOM 1839 CB TYR A 120 11.023 5.953 7.977 1.00 0.00 C ATOM 1840 CG TYR A 120 10.268 7.255 8.201 1.00 0.00 C ATOM 1841 CD1 TYR A 120 10.938 8.492 8.150 1.00 0.00 C ATOM 1842 CD2 TYR A 120 8.887 7.221 8.469 1.00 0.00 C ATOM 1843 CE1 TYR A 120 10.218 9.689 8.317 1.00 0.00 C ATOM 1844 CE2 TYR A 120 8.167 8.415 8.634 1.00 0.00 C ATOM 1845 CZ TYR A 120 8.829 9.655 8.550 1.00 0.00 C ATOM 1846 OH TYR A 120 8.120 10.807 8.665 1.00 0.00 O ATOM 0 H TYR A 120 10.933 6.878 10.352 1.00 0.00 H new ATOM 0 HA TYR A 120 11.689 4.291 9.158 1.00 0.00 H new ATOM 0 HB2 TYR A 120 11.743 6.110 7.174 1.00 0.00 H new ATOM 0 HB3 TYR A 120 10.313 5.203 7.627 1.00 0.00 H new ATOM 0 HD1 TYR A 120 12.005 8.522 7.983 1.00 0.00 H new ATOM 0 HD2 TYR A 120 8.378 6.272 8.548 1.00 0.00 H new ATOM 0 HE1 TYR A 120 10.732 10.638 8.266 1.00 0.00 H new ATOM 0 HE2 TYR A 120 7.105 8.382 8.825 1.00 0.00 H new ATOM 0 HH TYR A 120 7.176 10.596 8.823 1.00 0.00 H new ATOM 1856 N ALA A 121 13.888 6.022 10.275 1.00 0.00 N ATOM 1857 CA ALA A 121 15.305 6.348 10.457 1.00 0.00 C ATOM 1858 C ALA A 121 15.712 7.602 9.660 1.00 0.00 C ATOM 1859 O ALA A 121 14.952 8.054 8.797 1.00 0.00 O ATOM 1860 CB ALA A 121 16.172 5.107 10.176 1.00 0.00 C ATOM 0 H ALA A 121 13.356 6.161 11.134 1.00 0.00 H new ATOM 0 HA ALA A 121 15.481 6.619 11.498 1.00 0.00 H new ATOM 0 HB1 ALA A 121 17.223 5.359 10.314 1.00 0.00 H new ATOM 0 HB2 ALA A 121 15.897 4.308 10.864 1.00 0.00 H new ATOM 0 HB3 ALA A 121 16.010 4.775 9.151 1.00 0.00 H new ATOM 1866 N PRO A 122 16.847 8.250 9.989 1.00 0.00 N ATOM 1867 CA PRO A 122 17.182 9.540 9.404 1.00 0.00 C ATOM 1868 C PRO A 122 17.478 9.485 7.914 1.00 0.00 C ATOM 1869 O PRO A 122 17.192 10.452 7.209 1.00 0.00 O ATOM 1870 CB PRO A 122 18.389 10.072 10.185 1.00 0.00 C ATOM 1871 CG PRO A 122 18.982 8.837 10.853 1.00 0.00 C ATOM 1872 CD PRO A 122 17.760 7.959 11.088 1.00 0.00 C ATOM 0 HA PRO A 122 16.319 10.201 9.483 1.00 0.00 H new ATOM 0 HB2 PRO A 122 19.111 10.551 9.523 1.00 0.00 H new ATOM 0 HB3 PRO A 122 18.089 10.817 10.922 1.00 0.00 H new ATOM 0 HG2 PRO A 122 19.716 8.345 10.215 1.00 0.00 H new ATOM 0 HG3 PRO A 122 19.487 9.085 11.787 1.00 0.00 H new ATOM 0 HD2 PRO A 122 18.033 6.904 11.101 1.00 0.00 H new ATOM 0 HD3 PRO A 122 17.298 8.181 12.050 1.00 0.00 H new ATOM 1880 N GLU A 123 18.050 8.390 7.435 1.00 0.00 N ATOM 1881 CA GLU A 123 18.513 8.234 6.072 1.00 0.00 C ATOM 1882 C GLU A 123 17.391 8.368 5.043 1.00 0.00 C ATOM 1883 O GLU A 123 17.592 8.957 3.976 1.00 0.00 O ATOM 1884 CB GLU A 123 19.216 6.878 5.943 1.00 0.00 C ATOM 1885 CG GLU A 123 18.387 5.686 6.459 1.00 0.00 C ATOM 1886 CD GLU A 123 18.834 5.200 7.828 1.00 0.00 C ATOM 1887 OE1 GLU A 123 18.862 6.042 8.750 1.00 0.00 O ATOM 1888 OE2 GLU A 123 19.115 3.984 7.935 1.00 0.00 O ATOM 0 H GLU A 123 18.208 7.560 8.007 1.00 0.00 H new ATOM 0 HA GLU A 123 19.211 9.043 5.856 1.00 0.00 H new ATOM 0 HB2 GLU A 123 19.463 6.708 4.895 1.00 0.00 H new ATOM 0 HB3 GLU A 123 20.158 6.916 6.491 1.00 0.00 H new ATOM 0 HG2 GLU A 123 17.337 5.974 6.507 1.00 0.00 H new ATOM 0 HG3 GLU A 123 18.460 4.864 5.746 1.00 0.00 H new ATOM 1895 N TRP A 124 16.205 7.838 5.347 1.00 0.00 N ATOM 1896 CA TRP A 124 15.143 7.717 4.361 1.00 0.00 C ATOM 1897 C TRP A 124 14.491 9.076 4.091 1.00 0.00 C ATOM 1898 O TRP A 124 13.765 9.215 3.107 1.00 0.00 O ATOM 1899 CB TRP A 124 14.146 6.625 4.787 1.00 0.00 C ATOM 1900 CG TRP A 124 14.677 5.211 4.835 1.00 0.00 C ATOM 1901 CD1 TRP A 124 15.931 4.811 4.512 1.00 0.00 C ATOM 1902 CD2 TRP A 124 13.982 3.985 5.235 1.00 0.00 C ATOM 1903 NE1 TRP A 124 16.072 3.457 4.730 1.00 0.00 N ATOM 1904 CE2 TRP A 124 14.912 2.904 5.211 1.00 0.00 C ATOM 1905 CE3 TRP A 124 12.659 3.667 5.616 1.00 0.00 C ATOM 1906 CZ2 TRP A 124 14.571 1.598 5.580 1.00 0.00 C ATOM 1907 CZ3 TRP A 124 12.296 2.356 5.980 1.00 0.00 C ATOM 1908 CH2 TRP A 124 13.251 1.324 5.965 1.00 0.00 C ATOM 0 H TRP A 124 15.961 7.486 6.273 1.00 0.00 H new ATOM 0 HA TRP A 124 15.564 7.397 3.408 1.00 0.00 H new ATOM 0 HB2 TRP A 124 13.762 6.879 5.775 1.00 0.00 H new ATOM 0 HB3 TRP A 124 13.300 6.649 4.101 1.00 0.00 H new ATOM 0 HD1 TRP A 124 16.709 5.460 4.137 1.00 0.00 H new ATOM 0 HE1 TRP A 124 16.930 2.933 4.556 1.00 0.00 H new ATOM 0 HE3 TRP A 124 11.911 4.446 5.628 1.00 0.00 H new ATOM 0 HZ2 TRP A 124 15.313 0.813 5.568 1.00 0.00 H new ATOM 0 HZ3 TRP A 124 11.279 2.142 6.272 1.00 0.00 H new ATOM 0 HH2 TRP A 124 12.968 0.321 6.250 1.00 0.00 H new ATOM 1919 N LEU A 125 14.798 10.107 4.890 1.00 0.00 N ATOM 1920 CA LEU A 125 14.361 11.486 4.660 1.00 0.00 C ATOM 1921 C LEU A 125 15.123 12.144 3.508 1.00 0.00 C ATOM 1922 O LEU A 125 14.723 13.223 3.063 1.00 0.00 O ATOM 1923 CB LEU A 125 14.566 12.347 5.920 1.00 0.00 C ATOM 1924 CG LEU A 125 13.548 12.187 7.056 1.00 0.00 C ATOM 1925 CD1 LEU A 125 12.114 12.491 6.605 1.00 0.00 C ATOM 1926 CD2 LEU A 125 13.627 10.830 7.741 1.00 0.00 C ATOM 0 H LEU A 125 15.368 10.001 5.729 1.00 0.00 H new ATOM 0 HA LEU A 125 13.302 11.432 4.407 1.00 0.00 H new ATOM 0 HB2 LEU A 125 15.556 12.128 6.321 1.00 0.00 H new ATOM 0 HB3 LEU A 125 14.570 13.394 5.616 1.00 0.00 H new ATOM 0 HG LEU A 125 13.827 12.935 7.798 1.00 0.00 H new ATOM 0 HD11 LEU A 125 11.433 12.363 7.446 1.00 0.00 H new ATOM 0 HD12 LEU A 125 12.056 13.518 6.244 1.00 0.00 H new ATOM 0 HD13 LEU A 125 11.832 11.808 5.803 1.00 0.00 H new ATOM 0 HD21 LEU A 125 12.882 10.779 8.535 1.00 0.00 H new ATOM 0 HD22 LEU A 125 13.435 10.043 7.012 1.00 0.00 H new ATOM 0 HD23 LEU A 125 14.621 10.695 8.167 1.00 0.00 H new ATOM 1938 N PHE A 126 16.207 11.535 3.027 1.00 0.00 N ATOM 1939 CA PHE A 126 17.032 12.081 1.954 1.00 0.00 C ATOM 1940 C PHE A 126 16.893 11.278 0.654 1.00 0.00 C ATOM 1941 O PHE A 126 17.415 11.694 -0.380 1.00 0.00 O ATOM 1942 CB PHE A 126 18.496 12.098 2.405 1.00 0.00 C ATOM 1943 CG PHE A 126 18.765 12.520 3.834 1.00 0.00 C ATOM 1944 CD1 PHE A 126 18.369 13.786 4.301 1.00 0.00 C ATOM 1945 CD2 PHE A 126 19.432 11.633 4.698 1.00 0.00 C ATOM 1946 CE1 PHE A 126 18.643 14.155 5.630 1.00 0.00 C ATOM 1947 CE2 PHE A 126 19.692 11.992 6.028 1.00 0.00 C ATOM 1948 CZ PHE A 126 19.307 13.262 6.492 1.00 0.00 C ATOM 0 H PHE A 126 16.539 10.637 3.378 1.00 0.00 H new ATOM 0 HA PHE A 126 16.689 13.094 1.746 1.00 0.00 H new ATOM 0 HB2 PHE A 126 18.907 11.098 2.263 1.00 0.00 H new ATOM 0 HB3 PHE A 126 19.047 12.766 1.744 1.00 0.00 H new ATOM 0 HD1 PHE A 126 17.857 14.472 3.642 1.00 0.00 H new ATOM 0 HD2 PHE A 126 19.747 10.666 4.333 1.00 0.00 H new ATOM 0 HE1 PHE A 126 18.343 15.128 5.991 1.00 0.00 H new ATOM 0 HE2 PHE A 126 20.185 11.297 6.692 1.00 0.00 H new ATOM 0 HZ PHE A 126 19.521 13.553 7.510 1.00 0.00 H new ATOM 1958 N LEU A 127 16.219 10.121 0.688 1.00 0.00 N ATOM 1959 CA LEU A 127 16.016 9.293 -0.500 1.00 0.00 C ATOM 1960 C LEU A 127 14.983 9.955 -1.422 1.00 0.00 C ATOM 1961 O LEU A 127 14.102 10.672 -0.925 1.00 0.00 O ATOM 1962 CB LEU A 127 15.538 7.884 -0.109 1.00 0.00 C ATOM 1963 CG LEU A 127 16.549 7.058 0.708 1.00 0.00 C ATOM 1964 CD1 LEU A 127 15.917 5.711 1.080 1.00 0.00 C ATOM 1965 CD2 LEU A 127 17.862 6.812 -0.039 1.00 0.00 C ATOM 0 H LEU A 127 15.803 9.737 1.536 1.00 0.00 H new ATOM 0 HA LEU A 127 16.967 9.201 -1.024 1.00 0.00 H new ATOM 0 HB2 LEU A 127 14.617 7.976 0.467 1.00 0.00 H new ATOM 0 HB3 LEU A 127 15.293 7.335 -1.018 1.00 0.00 H new ATOM 0 HG LEU A 127 16.791 7.636 1.600 1.00 0.00 H new ATOM 0 HD11 LEU A 127 16.629 5.122 1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 127 15.020 5.882 1.675 1.00 0.00 H new ATOM 0 HD13 LEU A 127 15.653 5.170 0.171 1.00 0.00 H new ATOM 0 HD21 LEU A 127 18.533 6.225 0.588 1.00 0.00 H new ATOM 0 HD22 LEU A 127 17.659 6.268 -0.962 1.00 0.00 H new ATOM 0 HD23 LEU A 127 18.330 7.767 -0.276 1.00 0.00 H new ATOM 1977 N PRO A 128 15.046 9.717 -2.741 1.00 0.00 N ATOM 1978 CA PRO A 128 14.111 10.296 -3.694 1.00 0.00 C ATOM 1979 C PRO A 128 12.754 9.581 -3.629 1.00 0.00 C ATOM 1980 O PRO A 128 12.658 8.443 -3.159 1.00 0.00 O ATOM 1981 CB PRO A 128 14.792 10.134 -5.054 1.00 0.00 C ATOM 1982 CG PRO A 128 15.594 8.845 -4.891 1.00 0.00 C ATOM 1983 CD PRO A 128 16.027 8.887 -3.427 1.00 0.00 C ATOM 0 HA PRO A 128 13.891 11.343 -3.487 1.00 0.00 H new ATOM 0 HB2 PRO A 128 14.064 10.056 -5.862 1.00 0.00 H new ATOM 0 HB3 PRO A 128 15.436 10.982 -5.286 1.00 0.00 H new ATOM 0 HG2 PRO A 128 14.989 7.964 -5.107 1.00 0.00 H new ATOM 0 HG3 PRO A 128 16.451 8.816 -5.564 1.00 0.00 H new ATOM 0 HD2 PRO A 128 16.056 7.885 -3.000 1.00 0.00 H new ATOM 0 HD3 PRO A 128 17.029 9.305 -3.328 1.00 0.00 H new ATOM 1991 N TYR A 129 11.707 10.247 -4.120 1.00 0.00 N ATOM 1992 CA TYR A 129 10.336 9.751 -4.078 1.00 0.00 C ATOM 1993 C TYR A 129 9.886 9.207 -5.432 1.00 0.00 C ATOM 1994 O TYR A 129 10.588 9.319 -6.445 1.00 0.00 O ATOM 1995 CB TYR A 129 9.391 10.855 -3.575 1.00 0.00 C ATOM 1996 CG TYR A 129 9.744 11.412 -2.211 1.00 0.00 C ATOM 1997 CD1 TYR A 129 9.985 10.528 -1.148 1.00 0.00 C ATOM 1998 CD2 TYR A 129 9.864 12.800 -2.004 1.00 0.00 C ATOM 1999 CE1 TYR A 129 10.406 11.023 0.092 1.00 0.00 C ATOM 2000 CE2 TYR A 129 10.242 13.305 -0.750 1.00 0.00 C ATOM 2001 CZ TYR A 129 10.549 12.408 0.291 1.00 0.00 C ATOM 2002 OH TYR A 129 10.990 12.864 1.490 1.00 0.00 O ATOM 0 H TYR A 129 11.793 11.161 -4.565 1.00 0.00 H new ATOM 0 HA TYR A 129 10.299 8.916 -3.378 1.00 0.00 H new ATOM 0 HB2 TYR A 129 9.390 11.671 -4.297 1.00 0.00 H new ATOM 0 HB3 TYR A 129 8.376 10.459 -3.540 1.00 0.00 H new ATOM 0 HD1 TYR A 129 9.846 9.466 -1.287 1.00 0.00 H new ATOM 0 HD2 TYR A 129 9.663 13.482 -2.817 1.00 0.00 H new ATOM 0 HE1 TYR A 129 10.622 10.339 0.899 1.00 0.00 H new ATOM 0 HE2 TYR A 129 10.297 14.371 -0.585 1.00 0.00 H new ATOM 0 HH TYR A 129 11.895 13.227 1.389 1.00 0.00 H new ATOM 2012 N HIS A 130 8.701 8.602 -5.430 1.00 0.00 N ATOM 2013 CA HIS A 130 8.049 7.957 -6.557 1.00 0.00 C ATOM 2014 C HIS A 130 6.604 8.432 -6.625 1.00 0.00 C ATOM 2015 O HIS A 130 6.110 9.046 -5.674 1.00 0.00 O ATOM 2016 CB HIS A 130 8.115 6.437 -6.358 1.00 0.00 C ATOM 2017 CG HIS A 130 9.526 5.923 -6.427 1.00 0.00 C ATOM 2018 ND1 HIS A 130 10.164 5.524 -7.575 1.00 0.00 N ATOM 2019 CD2 HIS A 130 10.435 5.884 -5.404 1.00 0.00 C ATOM 2020 CE1 HIS A 130 11.431 5.231 -7.256 1.00 0.00 C ATOM 2021 NE2 HIS A 130 11.655 5.467 -5.949 1.00 0.00 N ATOM 0 H HIS A 130 8.136 8.548 -4.582 1.00 0.00 H new ATOM 0 HA HIS A 130 8.546 8.212 -7.493 1.00 0.00 H new ATOM 0 HB2 HIS A 130 7.681 6.178 -5.392 1.00 0.00 H new ATOM 0 HB3 HIS A 130 7.512 5.945 -7.121 1.00 0.00 H new ATOM 0 HD2 HIS A 130 10.246 6.129 -4.369 1.00 0.00 H new ATOM 0 HE1 HIS A 130 12.170 4.858 -7.950 1.00 0.00 H new ATOM 0 HE2 HIS A 130 12.540 5.362 -5.453 1.00 0.00 H new ATOM 2029 N GLU A 131 5.903 8.090 -7.706 1.00 0.00 N ATOM 2030 CA GLU A 131 4.478 8.373 -7.875 1.00 0.00 C ATOM 2031 C GLU A 131 3.648 7.086 -7.854 1.00 0.00 C ATOM 2032 O GLU A 131 2.434 7.138 -7.691 1.00 0.00 O ATOM 2033 CB GLU A 131 4.268 9.129 -9.191 1.00 0.00 C ATOM 2034 CG GLU A 131 3.256 10.280 -9.068 1.00 0.00 C ATOM 2035 CD GLU A 131 2.807 10.795 -10.441 1.00 0.00 C ATOM 2036 OE1 GLU A 131 2.647 9.982 -11.384 1.00 0.00 O ATOM 2037 OE2 GLU A 131 2.670 12.032 -10.598 1.00 0.00 O ATOM 0 H GLU A 131 6.315 7.601 -8.501 1.00 0.00 H new ATOM 0 HA GLU A 131 4.141 8.990 -7.042 1.00 0.00 H new ATOM 0 HB2 GLU A 131 5.224 9.528 -9.531 1.00 0.00 H new ATOM 0 HB3 GLU A 131 3.924 8.431 -9.954 1.00 0.00 H new ATOM 0 HG2 GLU A 131 2.386 9.940 -8.505 1.00 0.00 H new ATOM 0 HG3 GLU A 131 3.703 11.097 -8.502 1.00 0.00 H new ATOM 2044 N SER A 132 4.260 5.910 -7.996 1.00 0.00 N ATOM 2045 CA SER A 132 3.595 4.629 -7.791 1.00 0.00 C ATOM 2046 C SER A 132 4.622 3.558 -7.426 1.00 0.00 C ATOM 2047 O SER A 132 5.834 3.768 -7.518 1.00 0.00 O ATOM 2048 CB SER A 132 2.808 4.263 -9.061 1.00 0.00 C ATOM 2049 OG SER A 132 1.705 5.140 -9.213 1.00 0.00 O ATOM 0 H SER A 132 5.242 5.822 -8.259 1.00 0.00 H new ATOM 0 HA SER A 132 2.892 4.698 -6.961 1.00 0.00 H new ATOM 0 HB2 SER A 132 3.458 4.327 -9.934 1.00 0.00 H new ATOM 0 HB3 SER A 132 2.459 3.232 -8.999 1.00 0.00 H new ATOM 0 HG SER A 132 1.650 5.734 -8.435 1.00 0.00 H new ATOM 2055 N TYR A 133 4.120 2.406 -7.009 1.00 0.00 N ATOM 2056 CA TYR A 133 4.759 1.097 -6.998 1.00 0.00 C ATOM 2057 C TYR A 133 4.161 0.304 -8.159 1.00 0.00 C ATOM 2058 O TYR A 133 3.619 0.912 -9.084 1.00 0.00 O ATOM 2059 CB TYR A 133 4.616 0.393 -5.642 1.00 0.00 C ATOM 2060 CG TYR A 133 5.648 -0.694 -5.321 1.00 0.00 C ATOM 2061 CD1 TYR A 133 6.983 -0.650 -5.792 1.00 0.00 C ATOM 2062 CD2 TYR A 133 5.274 -1.745 -4.463 1.00 0.00 C ATOM 2063 CE1 TYR A 133 7.938 -1.585 -5.347 1.00 0.00 C ATOM 2064 CE2 TYR A 133 6.218 -2.686 -4.017 1.00 0.00 C ATOM 2065 CZ TYR A 133 7.564 -2.585 -4.422 1.00 0.00 C ATOM 2066 OH TYR A 133 8.470 -3.440 -3.882 1.00 0.00 O ATOM 0 H TYR A 133 3.172 2.358 -6.637 1.00 0.00 H new ATOM 0 HA TYR A 133 5.837 1.189 -7.134 1.00 0.00 H new ATOM 0 HB2 TYR A 133 4.663 1.150 -4.859 1.00 0.00 H new ATOM 0 HB3 TYR A 133 3.623 -0.055 -5.593 1.00 0.00 H new ATOM 0 HD1 TYR A 133 7.273 0.111 -6.502 1.00 0.00 H new ATOM 0 HD2 TYR A 133 4.246 -1.830 -4.142 1.00 0.00 H new ATOM 0 HE1 TYR A 133 8.953 -1.537 -5.712 1.00 0.00 H new ATOM 0 HE2 TYR A 133 5.911 -3.488 -3.362 1.00 0.00 H new ATOM 0 HH TYR A 133 9.366 -3.047 -3.940 1.00 0.00 H new ATOM 2076 N ASP A 134 4.285 -1.029 -8.112 1.00 0.00 N ATOM 2077 CA ASP A 134 3.966 -2.030 -9.131 1.00 0.00 C ATOM 2078 C ASP A 134 5.043 -2.125 -10.199 1.00 0.00 C ATOM 2079 O ASP A 134 5.544 -1.119 -10.695 1.00 0.00 O ATOM 2080 CB ASP A 134 2.633 -1.657 -9.804 1.00 0.00 C ATOM 2081 CG ASP A 134 1.932 -2.778 -10.541 1.00 0.00 C ATOM 2082 OD1 ASP A 134 2.583 -3.767 -10.947 1.00 0.00 O ATOM 2083 OD2 ASP A 134 0.698 -2.631 -10.649 1.00 0.00 O ATOM 0 H ASP A 134 4.649 -1.476 -7.271 1.00 0.00 H new ATOM 0 HA ASP A 134 3.898 -2.998 -8.634 1.00 0.00 H new ATOM 0 HB2 ASP A 134 1.958 -1.271 -9.041 1.00 0.00 H new ATOM 0 HB3 ASP A 134 2.817 -0.845 -10.507 1.00 0.00 H new ATOM 2088 N SER A 135 5.417 -3.366 -10.528 1.00 0.00 N ATOM 2089 CA SER A 135 6.329 -3.705 -11.617 1.00 0.00 C ATOM 2090 C SER A 135 5.884 -3.048 -12.931 1.00 0.00 C ATOM 2091 O SER A 135 6.727 -2.696 -13.757 1.00 0.00 O ATOM 2092 CB SER A 135 6.492 -5.218 -11.788 1.00 0.00 C ATOM 2093 OG SER A 135 7.826 -5.529 -12.167 1.00 0.00 O ATOM 0 H SER A 135 5.080 -4.187 -10.025 1.00 0.00 H new ATOM 0 HA SER A 135 7.308 -3.308 -11.348 1.00 0.00 H new ATOM 0 HB2 SER A 135 6.244 -5.725 -10.856 1.00 0.00 H new ATOM 0 HB3 SER A 135 5.797 -5.583 -12.544 1.00 0.00 H new ATOM 0 HG SER A 135 7.919 -6.499 -12.272 1.00 0.00 H new ATOM 2099 N GLU A 136 4.573 -2.854 -13.133 1.00 0.00 N ATOM 2100 CA GLU A 136 4.028 -2.175 -14.305 1.00 0.00 C ATOM 2101 C GLU A 136 4.378 -0.676 -14.344 1.00 0.00 C ATOM 2102 O GLU A 136 4.241 -0.043 -15.398 1.00 0.00 O ATOM 2103 CB GLU A 136 2.502 -2.368 -14.362 1.00 0.00 C ATOM 2104 CG GLU A 136 2.127 -3.839 -14.598 1.00 0.00 C ATOM 2105 CD GLU A 136 0.658 -4.049 -14.980 1.00 0.00 C ATOM 2106 OE1 GLU A 136 0.095 -3.278 -15.795 1.00 0.00 O ATOM 2107 OE2 GLU A 136 0.097 -5.117 -14.660 1.00 0.00 O ATOM 0 H GLU A 136 3.858 -3.169 -12.477 1.00 0.00 H new ATOM 0 HA GLU A 136 4.491 -2.628 -15.182 1.00 0.00 H new ATOM 0 HB2 GLU A 136 2.056 -2.023 -13.429 1.00 0.00 H new ATOM 0 HB3 GLU A 136 2.086 -1.753 -15.160 1.00 0.00 H new ATOM 0 HG2 GLU A 136 2.760 -4.243 -15.388 1.00 0.00 H new ATOM 0 HG3 GLU A 136 2.343 -4.409 -13.694 1.00 0.00 H new ATOM 2114 N GLY A 137 4.821 -0.091 -13.229 1.00 0.00 N ATOM 2115 CA GLY A 137 5.177 1.314 -13.112 1.00 0.00 C ATOM 2116 C GLY A 137 6.555 1.594 -13.724 1.00 0.00 C ATOM 2117 O GLY A 137 7.411 0.704 -13.787 1.00 0.00 O ATOM 0 H GLY A 137 4.944 -0.605 -12.356 1.00 0.00 H new ATOM 0 HA2 GLY A 137 4.425 1.925 -13.611 1.00 0.00 H new ATOM 0 HA3 GLY A 137 5.178 1.605 -12.061 1.00 0.00 H new ATOM 2121 N PRO A 138 6.829 2.842 -14.145 1.00 0.00 N ATOM 2122 CA PRO A 138 8.045 3.179 -14.883 1.00 0.00 C ATOM 2123 C PRO A 138 9.311 3.119 -14.019 1.00 0.00 C ATOM 2124 O PRO A 138 10.405 3.015 -14.570 1.00 0.00 O ATOM 2125 CB PRO A 138 7.815 4.599 -15.415 1.00 0.00 C ATOM 2126 CG PRO A 138 6.846 5.207 -14.402 1.00 0.00 C ATOM 2127 CD PRO A 138 5.973 4.014 -14.010 1.00 0.00 C ATOM 0 HA PRO A 138 8.218 2.455 -15.679 1.00 0.00 H new ATOM 0 HB2 PRO A 138 8.746 5.163 -15.468 1.00 0.00 H new ATOM 0 HB3 PRO A 138 7.391 4.588 -16.419 1.00 0.00 H new ATOM 0 HG2 PRO A 138 7.369 5.625 -13.542 1.00 0.00 H new ATOM 0 HG3 PRO A 138 6.257 6.013 -14.839 1.00 0.00 H new ATOM 0 HD2 PRO A 138 5.606 4.116 -12.989 1.00 0.00 H new ATOM 0 HD3 PRO A 138 5.099 3.938 -14.657 1.00 0.00 H new ATOM 2135 N HIS A 139 9.177 3.169 -12.693 1.00 0.00 N ATOM 2136 CA HIS A 139 10.240 3.260 -11.712 1.00 0.00 C ATOM 2137 C HIS A 139 10.988 1.927 -11.647 1.00 0.00 C ATOM 2138 O HIS A 139 10.663 1.066 -10.830 1.00 0.00 O ATOM 2139 CB HIS A 139 9.673 3.670 -10.347 1.00 0.00 C ATOM 2140 CG HIS A 139 8.697 4.823 -10.377 1.00 0.00 C ATOM 2141 ND1 HIS A 139 8.905 6.107 -10.826 1.00 0.00 N ATOM 2142 CD2 HIS A 139 7.406 4.748 -9.946 1.00 0.00 C ATOM 2143 CE1 HIS A 139 7.761 6.793 -10.656 1.00 0.00 C ATOM 2144 NE2 HIS A 139 6.815 6.011 -10.101 1.00 0.00 N ATOM 0 H HIS A 139 8.257 3.145 -12.254 1.00 0.00 H new ATOM 0 HA HIS A 139 10.951 4.032 -12.008 1.00 0.00 H new ATOM 0 HB2 HIS A 139 9.178 2.807 -9.903 1.00 0.00 H new ATOM 0 HB3 HIS A 139 10.503 3.934 -9.691 1.00 0.00 H new ATOM 0 HD1 HIS A 139 9.773 6.473 -11.218 1.00 0.00 H new ATOM 0 HD2 HIS A 139 6.921 3.867 -9.552 1.00 0.00 H new ATOM 0 HE1 HIS A 139 7.620 7.829 -10.927 1.00 0.00 H new ATOM 2152 N GLY A 140 11.940 1.754 -12.558 1.00 0.00 N ATOM 2153 CA GLY A 140 12.780 0.577 -12.787 1.00 0.00 C ATOM 2154 C GLY A 140 13.653 0.202 -11.590 1.00 0.00 C ATOM 2155 O GLY A 140 14.871 0.361 -11.633 1.00 0.00 O ATOM 0 H GLY A 140 12.166 2.500 -13.216 1.00 0.00 H new ATOM 0 HA2 GLY A 140 12.142 -0.270 -13.039 1.00 0.00 H new ATOM 0 HA3 GLY A 140 13.421 0.761 -13.649 1.00 0.00 H new ATOM 2159 N LEU A 141 12.999 -0.262 -10.528 1.00 0.00 N ATOM 2160 CA LEU A 141 13.483 -0.722 -9.236 1.00 0.00 C ATOM 2161 C LEU A 141 12.252 -1.176 -8.457 1.00 0.00 C ATOM 2162 O LEU A 141 11.926 -0.604 -7.418 1.00 0.00 O ATOM 2163 CB LEU A 141 14.233 0.371 -8.447 1.00 0.00 C ATOM 2164 CG LEU A 141 13.605 1.793 -8.436 1.00 0.00 C ATOM 2165 CD1 LEU A 141 13.268 2.298 -7.031 1.00 0.00 C ATOM 2166 CD2 LEU A 141 14.536 2.809 -9.095 1.00 0.00 C ATOM 0 H LEU A 141 11.982 -0.331 -10.563 1.00 0.00 H new ATOM 0 HA LEU A 141 14.205 -1.525 -9.384 1.00 0.00 H new ATOM 0 HB2 LEU A 141 14.330 0.036 -7.414 1.00 0.00 H new ATOM 0 HB3 LEU A 141 15.241 0.450 -8.853 1.00 0.00 H new ATOM 0 HG LEU A 141 12.676 1.699 -8.998 1.00 0.00 H new ATOM 0 HD11 LEU A 141 12.834 3.295 -7.097 1.00 0.00 H new ATOM 0 HD12 LEU A 141 12.553 1.621 -6.563 1.00 0.00 H new ATOM 0 HD13 LEU A 141 14.177 2.337 -6.431 1.00 0.00 H new ATOM 0 HD21 LEU A 141 14.072 3.795 -9.074 1.00 0.00 H new ATOM 0 HD22 LEU A 141 15.481 2.841 -8.553 1.00 0.00 H new ATOM 0 HD23 LEU A 141 14.720 2.517 -10.129 1.00 0.00 H new ATOM 2178 N ARG A 142 11.485 -2.132 -8.983 1.00 0.00 N ATOM 2179 CA ARG A 142 10.250 -2.558 -8.325 1.00 0.00 C ATOM 2180 C ARG A 142 10.586 -3.701 -7.374 1.00 0.00 C ATOM 2181 O ARG A 142 11.767 -3.893 -7.093 1.00 0.00 O ATOM 2182 CB ARG A 142 9.099 -2.847 -9.292 1.00 0.00 C ATOM 2183 CG ARG A 142 8.957 -1.741 -10.346 1.00 0.00 C ATOM 2184 CD ARG A 142 9.771 -2.133 -11.572 1.00 0.00 C ATOM 2185 NE ARG A 142 9.403 -1.363 -12.764 1.00 0.00 N ATOM 2186 CZ ARG A 142 9.935 -1.536 -13.975 1.00 0.00 C ATOM 2187 NH1 ARG A 142 10.849 -2.476 -14.211 1.00 0.00 N ATOM 2188 NH2 ARG A 142 9.563 -0.737 -14.963 1.00 0.00 N ATOM 0 H ARG A 142 11.694 -2.621 -9.853 1.00 0.00 H new ATOM 0 HA ARG A 142 9.850 -1.730 -7.740 1.00 0.00 H new ATOM 0 HB2 ARG A 142 9.270 -3.803 -9.787 1.00 0.00 H new ATOM 0 HB3 ARG A 142 8.168 -2.940 -8.733 1.00 0.00 H new ATOM 0 HG2 ARG A 142 7.909 -1.606 -10.615 1.00 0.00 H new ATOM 0 HG3 ARG A 142 9.309 -0.790 -9.946 1.00 0.00 H new ATOM 0 HD2 ARG A 142 10.830 -1.986 -11.362 1.00 0.00 H new ATOM 0 HD3 ARG A 142 9.630 -3.195 -11.772 1.00 0.00 H new ATOM 0 HE ARG A 142 8.688 -0.643 -12.660 1.00 0.00 H new ATOM 0 HH11 ARG A 142 11.159 -3.087 -13.455 1.00 0.00 H new ATOM 0 HH12 ARG A 142 11.238 -2.585 -15.147 1.00 0.00 H new ATOM 0 HH21 ARG A 142 8.878 -0.001 -14.793 1.00 0.00 H new ATOM 0 HH22 ARG A 142 9.962 -0.858 -15.894 1.00 0.00 H new ATOM 2202 N TYR A 143 9.597 -4.424 -6.834 1.00 0.00 N ATOM 2203 CA TYR A 143 9.910 -5.467 -5.852 1.00 0.00 C ATOM 2204 C TYR A 143 10.815 -6.490 -6.518 1.00 0.00 C ATOM 2205 O TYR A 143 10.518 -6.913 -7.640 1.00 0.00 O ATOM 2206 CB TYR A 143 8.671 -6.201 -5.307 1.00 0.00 C ATOM 2207 CG TYR A 143 8.952 -7.083 -4.095 1.00 0.00 C ATOM 2208 CD1 TYR A 143 9.625 -6.598 -2.951 1.00 0.00 C ATOM 2209 CD2 TYR A 143 8.504 -8.414 -4.102 1.00 0.00 C ATOM 2210 CE1 TYR A 143 9.842 -7.440 -1.844 1.00 0.00 C ATOM 2211 CE2 TYR A 143 8.711 -9.260 -3.002 1.00 0.00 C ATOM 2212 CZ TYR A 143 9.384 -8.775 -1.864 1.00 0.00 C ATOM 2213 OH TYR A 143 9.572 -9.591 -0.795 1.00 0.00 O ATOM 0 H TYR A 143 8.607 -4.312 -7.051 1.00 0.00 H new ATOM 0 HA TYR A 143 10.385 -4.974 -5.004 1.00 0.00 H new ATOM 0 HB2 TYR A 143 7.914 -5.464 -5.039 1.00 0.00 H new ATOM 0 HB3 TYR A 143 8.249 -6.817 -6.101 1.00 0.00 H new ATOM 0 HD1 TYR A 143 9.975 -5.576 -2.926 1.00 0.00 H new ATOM 0 HD2 TYR A 143 7.989 -8.794 -4.972 1.00 0.00 H new ATOM 0 HE1 TYR A 143 10.361 -7.063 -0.975 1.00 0.00 H new ATOM 0 HE2 TYR A 143 8.355 -10.279 -3.028 1.00 0.00 H new ATOM 0 HH TYR A 143 9.191 -10.473 -0.986 1.00 0.00 H new ATOM 2223 N ASN A 144 11.853 -6.931 -5.810 1.00 0.00 N ATOM 2224 CA ASN A 144 12.820 -7.884 -6.327 1.00 0.00 C ATOM 2225 C ASN A 144 12.695 -9.157 -5.501 1.00 0.00 C ATOM 2226 O ASN A 144 13.515 -9.405 -4.612 1.00 0.00 O ATOM 2227 CB ASN A 144 14.232 -7.278 -6.333 1.00 0.00 C ATOM 2228 CG ASN A 144 14.486 -6.376 -7.538 1.00 0.00 C ATOM 2229 OD1 ASN A 144 13.599 -6.096 -8.337 1.00 0.00 O ATOM 2230 ND2 ASN A 144 15.716 -5.940 -7.740 1.00 0.00 N ATOM 0 H ASN A 144 12.044 -6.631 -4.854 1.00 0.00 H new ATOM 0 HA ASN A 144 12.621 -8.134 -7.369 1.00 0.00 H new ATOM 0 HB2 ASN A 144 14.379 -6.704 -5.418 1.00 0.00 H new ATOM 0 HB3 ASN A 144 14.967 -8.083 -6.326 1.00 0.00 H new ATOM 0 HD21 ASN A 144 15.927 -5.371 -8.560 1.00 0.00 H new ATOM 0 HD22 ASN A 144 16.455 -6.172 -7.076 1.00 0.00 H new