USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 774 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: F 23 ASN : amide:sc= -2.41 K(o=-2.6,f=-9.1!) USER MOD Set 1.2: F 55 GLN : amide:sc= -0.151 K(o=-2.6,f=-1.4) USER MOD Set 2.1: E 39 SER OG : rot 180:sc= 0.0299 USER MOD Set 2.2: E 40 GLN : amide:sc= -0.146 X(o=-0.13,f=-0.047) USER MOD Set 2.3: E 43 ASN : amide:sc= -0.018 X(o=-0.13,f=-0.22) USER MOD Set 3.1: E 23 ASN : amide:sc= -3.39! C(o=-3.5!,f=-7.6!) USER MOD Set 3.2: E 55 GLN : amide:sc= -0.0789 X(o=-3.5,f=-3.9) USER MOD Single : C 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 35 MET CE :methyl -157:sc= -0.224 (180deg=-1.3) USER MOD Single : E 18 TYR OH : rot -93:sc= -0.131 USER MOD Single : E 21 ASN : amide:sc= -1.08 X(o=-1.1,f=-1.2) USER MOD Single : E 26 GLN : amide:sc= -0.806 X(o=-0.81,f=-0.74) USER MOD Single : E 32 HIS : no HE2:sc= 0.742 K(o=1.6,f=-5.5!) USER MOD Single : E 33 SER OG : rot 180:sc= 0 USER MOD Single : E 35 HIS : no HD1:sc= -1.42 X(o=-1.4,f=-1.3) USER MOD Single : E 41 SER OG : rot -91:sc= 0.681 USER MOD Single : E 49 LYS NZ :NH3+ 144:sc= 0.644 (180deg=0.0577) USER MOD Single : E 50 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.047) USER MOD Single : E 52 ASN : amide:sc= -0.234 X(o=-0.23,f=0) USER MOD Single : F 18 TYR OH : rot -67:sc= 0.0419 USER MOD Single : F 21 ASN : amide:sc= -0.662 X(o=-0.66,f=-0.66) USER MOD Single : F 26 GLN : amide:sc= -0.625 X(o=-0.62,f=-1) USER MOD Single : F 32 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : F 33 SER OG : rot 73:sc= 1.2 USER MOD Single : F 35 HIS : no HD1:sc= -0.184 K(o=-0.18,f=-0.98) USER MOD Single : F 39 SER OG : rot -68:sc= 1.2 USER MOD Single : F 40 GLN : amide:sc= -0.592 K(o=-0.59,f=-0.004) USER MOD Single : F 41 SER OG : rot -82:sc= 0.51 USER MOD Single : F 43 ASN : amide:sc= -0.0038 X(o=-0.0038,f=0) USER MOD Single : F 49 LYS NZ :NH3+ -173:sc= 1.08 (180deg=1.04) USER MOD Single : F 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : F 52 ASN : amide:sc= -0.118 K(o=-0.12,f=-0.71) USER MOD ----------------------------------------------------------------- ATOM 23 N LEU C 17 122.861 -7.772 -3.164 1.00 0.00 N ATOM 24 CA LEU C 17 122.146 -6.494 -3.189 1.00 0.00 C ATOM 25 C LEU C 17 121.244 -6.376 -1.965 1.00 0.00 C ATOM 26 O LEU C 17 120.509 -7.312 -1.638 1.00 0.00 O ATOM 27 CB LEU C 17 121.283 -6.374 -4.461 1.00 0.00 C ATOM 28 CG LEU C 17 122.061 -5.710 -5.613 1.00 0.00 C ATOM 29 CD1 LEU C 17 122.515 -4.300 -5.228 1.00 0.00 C ATOM 30 CD2 LEU C 17 123.274 -6.567 -6.002 1.00 0.00 C ATOM 0 HA LEU C 17 122.886 -5.694 -3.183 1.00 0.00 H new ATOM 0 HB2 LEU C 17 120.949 -7.365 -4.770 1.00 0.00 H new ATOM 0 HB3 LEU C 17 120.389 -5.791 -4.241 1.00 0.00 H new ATOM 0 HG LEU C 17 121.392 -5.632 -6.470 1.00 0.00 H new ATOM 0 HD11 LEU C 17 123.062 -3.854 -6.059 1.00 0.00 H new ATOM 0 HD12 LEU C 17 121.643 -3.688 -4.997 1.00 0.00 H new ATOM 0 HD13 LEU C 17 123.164 -4.353 -4.354 1.00 0.00 H new ATOM 0 HD21 LEU C 17 123.814 -6.085 -6.817 1.00 0.00 H new ATOM 0 HD22 LEU C 17 123.935 -6.673 -5.142 1.00 0.00 H new ATOM 0 HD23 LEU C 17 122.936 -7.552 -6.323 1.00 0.00 H new ATOM 42 N VAL C 18 121.292 -5.214 -1.312 1.00 0.00 N ATOM 43 CA VAL C 18 120.459 -4.953 -0.132 1.00 0.00 C ATOM 44 C VAL C 18 119.775 -3.608 -0.291 1.00 0.00 C ATOM 45 O VAL C 18 120.435 -2.621 -0.600 1.00 0.00 O ATOM 46 CB VAL C 18 121.308 -4.939 1.153 1.00 0.00 C ATOM 47 CG1 VAL C 18 120.386 -4.820 2.383 1.00 0.00 C ATOM 48 CG2 VAL C 18 122.134 -6.233 1.248 1.00 0.00 C ATOM 0 H VAL C 18 121.898 -4.438 -1.578 1.00 0.00 H new ATOM 0 HA VAL C 18 119.719 -5.749 -0.050 1.00 0.00 H new ATOM 0 HB VAL C 18 121.984 -4.085 1.125 1.00 0.00 H new ATOM 0 HG11 VAL C 18 120.990 -4.810 3.291 1.00 0.00 H new ATOM 0 HG12 VAL C 18 119.812 -3.896 2.319 1.00 0.00 H new ATOM 0 HG13 VAL C 18 119.704 -5.670 2.410 1.00 0.00 H new ATOM 0 HG21 VAL C 18 122.732 -6.217 2.159 1.00 0.00 H new ATOM 0 HG22 VAL C 18 121.463 -7.092 1.270 1.00 0.00 H new ATOM 0 HG23 VAL C 18 122.793 -6.309 0.383 1.00 0.00 H new ATOM 58 N PHE C 19 118.461 -3.569 -0.064 1.00 0.00 N ATOM 59 CA PHE C 19 117.705 -2.330 -0.170 1.00 0.00 C ATOM 60 C PHE C 19 117.477 -1.766 1.216 1.00 0.00 C ATOM 61 O PHE C 19 116.989 -2.463 2.109 1.00 0.00 O ATOM 62 CB PHE C 19 116.353 -2.571 -0.866 1.00 0.00 C ATOM 63 CG PHE C 19 116.396 -1.973 -2.254 1.00 0.00 C ATOM 64 CD1 PHE C 19 117.243 -2.531 -3.219 1.00 0.00 C ATOM 65 CD2 PHE C 19 115.612 -0.850 -2.571 1.00 0.00 C ATOM 66 CE1 PHE C 19 117.308 -1.979 -4.497 1.00 0.00 C ATOM 67 CE2 PHE C 19 115.684 -0.298 -3.855 1.00 0.00 C ATOM 68 CZ PHE C 19 116.533 -0.864 -4.817 1.00 0.00 C ATOM 0 H PHE C 19 117.903 -4.383 0.194 1.00 0.00 H new ATOM 0 HA PHE C 19 118.274 -1.620 -0.770 1.00 0.00 H new ATOM 0 HB2 PHE C 19 116.145 -3.639 -0.923 1.00 0.00 H new ATOM 0 HB3 PHE C 19 115.547 -2.120 -0.287 1.00 0.00 H new ATOM 0 HD1 PHE C 19 117.848 -3.391 -2.972 1.00 0.00 H new ATOM 0 HD2 PHE C 19 114.959 -0.416 -1.829 1.00 0.00 H new ATOM 0 HE1 PHE C 19 117.959 -2.415 -5.240 1.00 0.00 H new ATOM 0 HE2 PHE C 19 115.085 0.565 -4.105 1.00 0.00 H new ATOM 0 HZ PHE C 19 116.587 -0.436 -5.807 1.00 0.00 H new ATOM 78 N PHE C 20 117.845 -0.507 1.385 1.00 0.00 N ATOM 79 CA PHE C 20 117.693 0.165 2.676 1.00 0.00 C ATOM 80 C PHE C 20 117.142 1.574 2.510 1.00 0.00 C ATOM 81 O PHE C 20 117.273 2.191 1.444 1.00 0.00 O ATOM 82 CB PHE C 20 119.043 0.222 3.399 1.00 0.00 C ATOM 83 CG PHE C 20 120.013 1.062 2.617 1.00 0.00 C ATOM 84 CD1 PHE C 20 119.999 2.455 2.749 1.00 0.00 C ATOM 85 CD2 PHE C 20 120.917 0.448 1.755 1.00 0.00 C ATOM 86 CE1 PHE C 20 120.893 3.231 2.016 1.00 0.00 C ATOM 87 CE2 PHE C 20 121.807 1.220 1.024 1.00 0.00 C ATOM 88 CZ PHE C 20 121.799 2.616 1.151 1.00 0.00 C ATOM 0 H PHE C 20 118.250 0.073 0.651 1.00 0.00 H new ATOM 0 HA PHE C 20 116.982 -0.410 3.269 1.00 0.00 H new ATOM 0 HB2 PHE C 20 118.912 0.639 4.398 1.00 0.00 H new ATOM 0 HB3 PHE C 20 119.440 -0.785 3.523 1.00 0.00 H new ATOM 0 HD1 PHE C 20 119.296 2.928 3.419 1.00 0.00 H new ATOM 0 HD2 PHE C 20 120.925 -0.627 1.656 1.00 0.00 H new ATOM 0 HE1 PHE C 20 120.885 4.306 2.117 1.00 0.00 H new ATOM 0 HE2 PHE C 20 122.509 0.744 0.355 1.00 0.00 H new ATOM 0 HZ PHE C 20 122.493 3.215 0.580 1.00 0.00 H new ATOM 98 N ALA C 21 116.543 2.077 3.588 1.00 0.00 N ATOM 99 CA ALA C 21 115.987 3.416 3.605 1.00 0.00 C ATOM 100 C ALA C 21 116.591 4.187 4.772 1.00 0.00 C ATOM 101 O ALA C 21 116.675 3.664 5.887 1.00 0.00 O ATOM 102 CB ALA C 21 114.472 3.329 3.747 1.00 0.00 C ATOM 0 H ALA C 21 116.433 1.567 4.465 1.00 0.00 H new ATOM 0 HA ALA C 21 116.222 3.936 2.676 1.00 0.00 H new ATOM 0 HB1 ALA C 21 114.050 4.334 3.760 1.00 0.00 H new ATOM 0 HB2 ALA C 21 114.059 2.773 2.905 1.00 0.00 H new ATOM 0 HB3 ALA C 21 114.222 2.818 4.677 1.00 0.00 H new ATOM 108 N GLU C 22 117.024 5.421 4.505 1.00 0.00 N ATOM 109 CA GLU C 22 117.642 6.258 5.552 1.00 0.00 C ATOM 110 C GLU C 22 116.680 7.332 6.014 1.00 0.00 C ATOM 111 O GLU C 22 115.977 7.912 5.202 1.00 0.00 O ATOM 112 CB GLU C 22 118.905 6.972 5.042 1.00 0.00 C ATOM 113 CG GLU C 22 119.683 6.090 4.068 1.00 0.00 C ATOM 114 CD GLU C 22 121.168 6.445 4.120 1.00 0.00 C ATOM 115 OE1 GLU C 22 121.514 7.536 3.695 1.00 0.00 O ATOM 116 OE2 GLU C 22 121.939 5.623 4.584 1.00 0.00 O ATOM 0 H GLU C 22 116.963 5.864 3.588 1.00 0.00 H new ATOM 0 HA GLU C 22 117.901 5.584 6.369 1.00 0.00 H new ATOM 0 HB2 GLU C 22 118.626 7.903 4.550 1.00 0.00 H new ATOM 0 HB3 GLU C 22 119.542 7.236 5.886 1.00 0.00 H new ATOM 0 HG2 GLU C 22 119.542 5.040 4.322 1.00 0.00 H new ATOM 0 HG3 GLU C 22 119.302 6.227 3.056 1.00 0.00 H new ATOM 123 N ASP C 23 116.703 7.636 7.309 1.00 0.00 N ATOM 124 CA ASP C 23 115.862 8.701 7.844 1.00 0.00 C ATOM 125 C ASP C 23 116.574 10.019 7.567 1.00 0.00 C ATOM 126 O ASP C 23 117.637 10.286 8.129 1.00 0.00 O ATOM 127 CB ASP C 23 115.643 8.510 9.351 1.00 0.00 C ATOM 128 CG ASP C 23 114.677 9.574 9.879 1.00 0.00 C ATOM 129 OD1 ASP C 23 113.479 9.365 9.773 1.00 0.00 O ATOM 130 OD2 ASP C 23 115.150 10.582 10.378 1.00 0.00 O ATOM 0 H ASP C 23 117.288 7.166 8.000 1.00 0.00 H new ATOM 0 HA ASP C 23 114.880 8.689 7.372 1.00 0.00 H new ATOM 0 HB2 ASP C 23 115.243 7.515 9.545 1.00 0.00 H new ATOM 0 HB3 ASP C 23 116.595 8.579 9.877 1.00 0.00 H new ATOM 135 N VAL C 24 116.018 10.804 6.650 1.00 0.00 N ATOM 136 CA VAL C 24 116.640 12.072 6.244 1.00 0.00 C ATOM 137 C VAL C 24 115.730 13.271 6.512 1.00 0.00 C ATOM 138 O VAL C 24 116.185 14.419 6.460 1.00 0.00 O ATOM 139 CB VAL C 24 117.005 11.986 4.743 1.00 0.00 C ATOM 140 CG1 VAL C 24 117.751 10.657 4.487 1.00 0.00 C ATOM 141 CG2 VAL C 24 115.726 12.057 3.873 1.00 0.00 C ATOM 0 H VAL C 24 115.142 10.591 6.172 1.00 0.00 H new ATOM 0 HA VAL C 24 117.539 12.226 6.840 1.00 0.00 H new ATOM 0 HB VAL C 24 117.646 12.826 4.474 1.00 0.00 H new ATOM 0 HG11 VAL C 24 118.014 10.585 3.432 1.00 0.00 H new ATOM 0 HG12 VAL C 24 118.659 10.627 5.090 1.00 0.00 H new ATOM 0 HG13 VAL C 24 117.107 9.820 4.759 1.00 0.00 H new ATOM 0 HG21 VAL C 24 115.999 11.995 2.819 1.00 0.00 H new ATOM 0 HG22 VAL C 24 115.067 11.227 4.126 1.00 0.00 H new ATOM 0 HG23 VAL C 24 115.211 12.999 4.060 1.00 0.00 H new ATOM 183 N LYS C 28 111.392 14.816 2.821 1.00 0.00 N ATOM 184 CA LYS C 28 111.684 13.729 1.885 1.00 0.00 C ATOM 185 C LYS C 28 111.437 12.374 2.548 1.00 0.00 C ATOM 186 O LYS C 28 111.534 11.331 1.897 1.00 0.00 O ATOM 187 CB LYS C 28 113.148 13.806 1.437 1.00 0.00 C ATOM 188 CG LYS C 28 113.398 15.103 0.653 1.00 0.00 C ATOM 189 CD LYS C 28 114.701 14.989 -0.152 1.00 0.00 C ATOM 190 CE LYS C 28 115.907 14.917 0.796 1.00 0.00 C ATOM 191 NZ LYS C 28 117.166 14.986 -0.001 1.00 0.00 N ATOM 0 HA LYS C 28 111.027 13.833 1.021 1.00 0.00 H new ATOM 0 HB2 LYS C 28 113.804 13.766 2.307 1.00 0.00 H new ATOM 0 HB3 LYS C 28 113.391 12.944 0.815 1.00 0.00 H new ATOM 0 HG2 LYS C 28 112.562 15.298 -0.019 1.00 0.00 H new ATOM 0 HG3 LYS C 28 113.458 15.947 1.340 1.00 0.00 H new ATOM 0 HD2 LYS C 28 114.671 14.100 -0.782 1.00 0.00 H new ATOM 0 HD3 LYS C 28 114.803 15.847 -0.816 1.00 0.00 H new ATOM 0 HE2 LYS C 28 115.871 15.738 1.512 1.00 0.00 H new ATOM 0 HE3 LYS C 28 115.877 13.991 1.371 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 117.985 14.937 0.638 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 117.199 14.188 -0.667 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 117.193 15.881 -0.531 1.00 0.00 H new ATOM 205 N GLY C 29 111.142 12.402 3.853 1.00 0.00 N ATOM 206 CA GLY C 29 110.915 11.174 4.609 1.00 0.00 C ATOM 207 C GLY C 29 112.216 10.387 4.680 1.00 0.00 C ATOM 208 O GLY C 29 113.098 10.710 5.482 1.00 0.00 O ATOM 0 H GLY C 29 111.056 13.258 4.401 1.00 0.00 H new ATOM 0 HA2 GLY C 29 110.563 11.410 5.613 1.00 0.00 H new ATOM 0 HA3 GLY C 29 110.139 10.576 4.131 1.00 0.00 H new ATOM 212 N ALA C 30 112.336 9.374 3.816 1.00 0.00 N ATOM 213 CA ALA C 30 113.542 8.556 3.746 1.00 0.00 C ATOM 214 C ALA C 30 114.018 8.433 2.295 1.00 0.00 C ATOM 215 O ALA C 30 113.239 8.656 1.362 1.00 0.00 O ATOM 216 CB ALA C 30 113.277 7.168 4.330 1.00 0.00 C ATOM 0 H ALA C 30 111.608 9.104 3.155 1.00 0.00 H new ATOM 0 HA ALA C 30 114.323 9.040 4.332 1.00 0.00 H new ATOM 0 HB1 ALA C 30 114.186 6.569 4.271 1.00 0.00 H new ATOM 0 HB2 ALA C 30 112.973 7.264 5.372 1.00 0.00 H new ATOM 0 HB3 ALA C 30 112.484 6.680 3.764 1.00 0.00 H new ATOM 222 N ILE C 31 115.298 8.073 2.115 1.00 0.00 N ATOM 223 CA ILE C 31 115.874 7.919 0.775 1.00 0.00 C ATOM 224 C ILE C 31 116.123 6.448 0.494 1.00 0.00 C ATOM 225 O ILE C 31 116.722 5.751 1.315 1.00 0.00 O ATOM 226 CB ILE C 31 117.220 8.665 0.649 1.00 0.00 C ATOM 227 CG1 ILE C 31 117.076 10.118 1.117 1.00 0.00 C ATOM 228 CG2 ILE C 31 117.673 8.656 -0.819 1.00 0.00 C ATOM 229 CD1 ILE C 31 118.409 10.862 0.949 1.00 0.00 C ATOM 0 H ILE C 31 115.949 7.885 2.877 1.00 0.00 H new ATOM 0 HA ILE C 31 115.165 8.339 0.062 1.00 0.00 H new ATOM 0 HB ILE C 31 117.957 8.161 1.274 1.00 0.00 H new ATOM 0 HG12 ILE C 31 116.297 10.618 0.542 1.00 0.00 H new ATOM 0 HG13 ILE C 31 116.766 10.143 2.162 1.00 0.00 H new ATOM 0 HG21 ILE C 31 118.623 9.182 -0.910 1.00 0.00 H new ATOM 0 HG22 ILE C 31 117.795 7.627 -1.156 1.00 0.00 H new ATOM 0 HG23 ILE C 31 116.923 9.153 -1.434 1.00 0.00 H new ATOM 0 HD11 ILE C 31 118.295 11.893 1.284 1.00 0.00 H new ATOM 0 HD12 ILE C 31 119.178 10.370 1.544 1.00 0.00 H new ATOM 0 HD13 ILE C 31 118.701 10.852 -0.101 1.00 0.00 H new ATOM 241 N ILE C 32 115.698 5.998 -0.683 1.00 0.00 N ATOM 242 CA ILE C 32 115.916 4.616 -1.075 1.00 0.00 C ATOM 243 C ILE C 32 117.306 4.485 -1.672 1.00 0.00 C ATOM 244 O ILE C 32 117.609 5.060 -2.723 1.00 0.00 O ATOM 245 CB ILE C 32 114.837 4.138 -2.080 1.00 0.00 C ATOM 246 CG1 ILE C 32 113.649 3.540 -1.309 1.00 0.00 C ATOM 247 CG2 ILE C 32 115.398 3.070 -3.042 1.00 0.00 C ATOM 248 CD1 ILE C 32 114.088 2.276 -0.543 1.00 0.00 C ATOM 0 H ILE C 32 115.206 6.566 -1.373 1.00 0.00 H new ATOM 0 HA ILE C 32 115.837 3.980 -0.193 1.00 0.00 H new ATOM 0 HB ILE C 32 114.517 4.999 -2.667 1.00 0.00 H new ATOM 0 HG12 ILE C 32 113.252 4.277 -0.611 1.00 0.00 H new ATOM 0 HG13 ILE C 32 112.845 3.292 -2.002 1.00 0.00 H new ATOM 0 HG21 ILE C 32 114.616 2.756 -3.733 1.00 0.00 H new ATOM 0 HG22 ILE C 32 116.233 3.489 -3.604 1.00 0.00 H new ATOM 0 HG23 ILE C 32 115.742 2.209 -2.469 1.00 0.00 H new ATOM 0 HD11 ILE C 32 113.236 1.864 -0.002 1.00 0.00 H new ATOM 0 HD12 ILE C 32 114.463 1.535 -1.249 1.00 0.00 H new ATOM 0 HD13 ILE C 32 114.876 2.534 0.164 1.00 0.00 H new ATOM 260 N GLY C 33 118.123 3.696 -0.995 1.00 0.00 N ATOM 261 CA GLY C 33 119.478 3.425 -1.432 1.00 0.00 C ATOM 262 C GLY C 33 119.747 1.951 -1.243 1.00 0.00 C ATOM 263 O GLY C 33 119.158 1.323 -0.360 1.00 0.00 O ATOM 0 H GLY C 33 117.864 3.226 -0.127 1.00 0.00 H new ATOM 0 HA2 GLY C 33 119.603 3.703 -2.478 1.00 0.00 H new ATOM 0 HA3 GLY C 33 120.189 4.018 -0.857 1.00 0.00 H new ATOM 267 N LEU C 34 120.620 1.396 -2.071 1.00 0.00 N ATOM 268 CA LEU C 34 120.939 -0.024 -1.968 1.00 0.00 C ATOM 269 C LEU C 34 122.430 -0.248 -1.888 1.00 0.00 C ATOM 270 O LEU C 34 123.227 0.563 -2.350 1.00 0.00 O ATOM 271 CB LEU C 34 120.370 -0.819 -3.145 1.00 0.00 C ATOM 272 CG LEU C 34 120.675 -0.106 -4.463 1.00 0.00 C ATOM 273 CD1 LEU C 34 121.006 -1.156 -5.535 1.00 0.00 C ATOM 274 CD2 LEU C 34 119.461 0.755 -4.875 1.00 0.00 C ATOM 0 H LEU C 34 121.114 1.896 -2.811 1.00 0.00 H new ATOM 0 HA LEU C 34 120.475 -0.381 -1.048 1.00 0.00 H new ATOM 0 HB2 LEU C 34 120.799 -1.821 -3.158 1.00 0.00 H new ATOM 0 HB3 LEU C 34 119.293 -0.935 -3.027 1.00 0.00 H new ATOM 0 HG LEU C 34 121.534 0.555 -4.349 1.00 0.00 H new ATOM 0 HD11 LEU C 34 121.225 -0.656 -6.479 1.00 0.00 H new ATOM 0 HD12 LEU C 34 121.874 -1.735 -5.221 1.00 0.00 H new ATOM 0 HD13 LEU C 34 120.154 -1.823 -5.667 1.00 0.00 H new ATOM 0 HD21 LEU C 34 119.678 1.264 -5.814 1.00 0.00 H new ATOM 0 HD22 LEU C 34 118.588 0.115 -5.002 1.00 0.00 H new ATOM 0 HD23 LEU C 34 119.260 1.495 -4.100 1.00 0.00 H new ATOM 286 N MET C 35 122.776 -1.376 -1.297 1.00 0.00 N ATOM 287 CA MET C 35 124.173 -1.772 -1.133 1.00 0.00 C ATOM 288 C MET C 35 124.529 -2.805 -2.202 1.00 0.00 C ATOM 289 O MET C 35 123.679 -3.605 -2.587 1.00 0.00 O ATOM 290 CB MET C 35 124.396 -2.309 0.302 1.00 0.00 C ATOM 291 CG MET C 35 124.627 -3.827 0.318 1.00 0.00 C ATOM 292 SD MET C 35 124.566 -4.435 2.015 1.00 0.00 S ATOM 293 CE MET C 35 126.002 -3.527 2.614 1.00 0.00 C ATOM 0 H MET C 35 122.105 -2.044 -0.917 1.00 0.00 H new ATOM 0 HA MET C 35 124.833 -0.915 -1.264 1.00 0.00 H new ATOM 0 HB2 MET C 35 125.255 -1.807 0.748 1.00 0.00 H new ATOM 0 HB3 MET C 35 123.530 -2.067 0.918 1.00 0.00 H new ATOM 0 HG2 MET C 35 123.868 -4.326 -0.285 1.00 0.00 H new ATOM 0 HG3 MET C 35 125.593 -4.062 -0.128 1.00 0.00 H new ATOM 0 HE1 MET C 35 126.409 -4.028 3.492 1.00 0.00 H new ATOM 0 HE2 MET C 35 126.761 -3.491 1.833 1.00 0.00 H new ATOM 0 HE3 MET C 35 125.706 -2.512 2.880 1.00 0.00 H new ATOM 303 N VAL C 36 125.773 -2.762 -2.688 1.00 0.00 N ATOM 304 CA VAL C 36 126.220 -3.683 -3.738 1.00 0.00 C ATOM 305 C VAL C 36 127.467 -4.463 -3.301 1.00 0.00 C ATOM 306 O VAL C 36 128.517 -3.870 -3.040 1.00 0.00 O ATOM 307 CB VAL C 36 126.547 -2.891 -5.022 1.00 0.00 C ATOM 308 CG1 VAL C 36 126.652 -3.856 -6.211 1.00 0.00 C ATOM 309 CG2 VAL C 36 125.455 -1.842 -5.310 1.00 0.00 C ATOM 0 H VAL C 36 126.485 -2.103 -2.373 1.00 0.00 H new ATOM 0 HA VAL C 36 125.414 -4.392 -3.927 1.00 0.00 H new ATOM 0 HB VAL C 36 127.497 -2.377 -4.877 1.00 0.00 H new ATOM 0 HG11 VAL C 36 126.883 -3.294 -7.116 1.00 0.00 H new ATOM 0 HG12 VAL C 36 127.443 -4.581 -6.022 1.00 0.00 H new ATOM 0 HG13 VAL C 36 125.704 -4.379 -6.340 1.00 0.00 H new ATOM 0 HG21 VAL C 36 125.706 -1.296 -6.219 1.00 0.00 H new ATOM 0 HG22 VAL C 36 124.495 -2.342 -5.440 1.00 0.00 H new ATOM 0 HG23 VAL C 36 125.390 -1.145 -4.474 1.00 0.00 H new ATOM 319 N GLY C 37 127.338 -5.797 -3.278 1.00 0.00 N ATOM 320 CA GLY C 37 128.436 -6.698 -2.927 1.00 0.00 C ATOM 321 C GLY C 37 128.976 -6.509 -1.509 1.00 0.00 C ATOM 322 O GLY C 37 129.203 -5.391 -1.051 1.00 0.00 O ATOM 0 H GLY C 37 126.467 -6.278 -3.503 1.00 0.00 H new ATOM 0 HA2 GLY C 37 128.096 -7.727 -3.040 1.00 0.00 H new ATOM 0 HA3 GLY C 37 129.251 -6.552 -3.636 1.00 0.00 H new ATOM 367 N GLY E 14 131.509 -2.543 0.697 1.00 0.00 N ATOM 368 CA GLY E 14 130.807 -2.610 -0.586 1.00 0.00 C ATOM 369 C GLY E 14 130.456 -1.223 -1.120 1.00 0.00 C ATOM 370 O GLY E 14 130.618 -0.214 -0.426 1.00 0.00 O ATOM 0 HA2 GLY E 14 131.430 -3.131 -1.313 1.00 0.00 H new ATOM 0 HA3 GLY E 14 129.895 -3.195 -0.470 1.00 0.00 H new ATOM 374 N GLU E 15 129.946 -1.198 -2.356 1.00 0.00 N ATOM 375 CA GLU E 15 129.528 0.045 -3.008 1.00 0.00 C ATOM 376 C GLU E 15 128.057 0.285 -2.710 1.00 0.00 C ATOM 377 O GLU E 15 127.244 -0.622 -2.862 1.00 0.00 O ATOM 378 CB GLU E 15 129.753 -0.065 -4.528 1.00 0.00 C ATOM 379 CG GLU E 15 129.257 1.207 -5.239 1.00 0.00 C ATOM 380 CD GLU E 15 129.462 1.084 -6.751 1.00 0.00 C ATOM 381 OE1 GLU E 15 130.607 1.037 -7.173 1.00 0.00 O ATOM 382 OE2 GLU E 15 128.471 1.040 -7.465 1.00 0.00 O ATOM 0 H GLU E 15 129.813 -2.032 -2.928 1.00 0.00 H new ATOM 0 HA GLU E 15 130.116 0.881 -2.629 1.00 0.00 H new ATOM 0 HB2 GLU E 15 130.813 -0.215 -4.735 1.00 0.00 H new ATOM 0 HB3 GLU E 15 129.226 -0.936 -4.918 1.00 0.00 H new ATOM 0 HG2 GLU E 15 128.201 1.366 -5.020 1.00 0.00 H new ATOM 0 HG3 GLU E 15 129.795 2.076 -4.862 1.00 0.00 H new ATOM 389 N ILE E 16 127.720 1.503 -2.277 1.00 0.00 N ATOM 390 CA ILE E 16 126.333 1.834 -1.949 1.00 0.00 C ATOM 391 C ILE E 16 125.765 2.866 -2.935 1.00 0.00 C ATOM 392 O ILE E 16 126.360 3.919 -3.177 1.00 0.00 O ATOM 393 CB ILE E 16 126.243 2.322 -0.488 1.00 0.00 C ATOM 394 CG1 ILE E 16 126.891 1.246 0.447 1.00 0.00 C ATOM 395 CG2 ILE E 16 124.770 2.545 -0.124 1.00 0.00 C ATOM 396 CD1 ILE E 16 126.155 1.114 1.797 1.00 0.00 C ATOM 0 H ILE E 16 128.382 2.268 -2.147 1.00 0.00 H new ATOM 0 HA ILE E 16 125.721 0.937 -2.044 1.00 0.00 H new ATOM 0 HB ILE E 16 126.779 3.263 -0.365 1.00 0.00 H new ATOM 0 HG12 ILE E 16 126.889 0.281 -0.060 1.00 0.00 H new ATOM 0 HG13 ILE E 16 127.933 1.508 0.629 1.00 0.00 H new ATOM 0 HG21 ILE E 16 124.698 2.890 0.907 1.00 0.00 H new ATOM 0 HG22 ILE E 16 124.341 3.295 -0.788 1.00 0.00 H new ATOM 0 HG23 ILE E 16 124.223 1.609 -0.232 1.00 0.00 H new ATOM 0 HD11 ILE E 16 126.646 0.355 2.406 1.00 0.00 H new ATOM 0 HD12 ILE E 16 126.179 2.070 2.320 1.00 0.00 H new ATOM 0 HD13 ILE E 16 125.119 0.824 1.620 1.00 0.00 H new ATOM 408 N VAL E 17 124.614 2.502 -3.513 1.00 0.00 N ATOM 409 CA VAL E 17 123.903 3.312 -4.515 1.00 0.00 C ATOM 410 C VAL E 17 122.660 3.993 -3.933 1.00 0.00 C ATOM 411 O VAL E 17 121.971 3.432 -3.083 1.00 0.00 O ATOM 412 CB VAL E 17 123.474 2.391 -5.676 1.00 0.00 C ATOM 413 CG1 VAL E 17 122.538 3.135 -6.656 1.00 0.00 C ATOM 414 CG2 VAL E 17 124.718 1.904 -6.423 1.00 0.00 C ATOM 0 H VAL E 17 124.142 1.624 -3.296 1.00 0.00 H new ATOM 0 HA VAL E 17 124.579 4.095 -4.858 1.00 0.00 H new ATOM 0 HB VAL E 17 122.931 1.541 -5.263 1.00 0.00 H new ATOM 0 HG11 VAL E 17 122.250 2.464 -7.465 1.00 0.00 H new ATOM 0 HG12 VAL E 17 121.646 3.467 -6.125 1.00 0.00 H new ATOM 0 HG13 VAL E 17 123.057 4.000 -7.069 1.00 0.00 H new ATOM 0 HG21 VAL E 17 124.418 1.253 -7.244 1.00 0.00 H new ATOM 0 HG22 VAL E 17 125.263 2.761 -6.820 1.00 0.00 H new ATOM 0 HG23 VAL E 17 125.361 1.351 -5.738 1.00 0.00 H new ATOM 424 N TYR E 18 122.373 5.197 -4.444 1.00 0.00 N ATOM 425 CA TYR E 18 121.194 5.969 -4.038 1.00 0.00 C ATOM 426 C TYR E 18 120.405 6.367 -5.279 1.00 0.00 C ATOM 427 O TYR E 18 120.956 7.008 -6.176 1.00 0.00 O ATOM 428 CB TYR E 18 121.612 7.226 -3.266 1.00 0.00 C ATOM 429 CG TYR E 18 121.983 6.839 -1.865 1.00 0.00 C ATOM 430 CD1 TYR E 18 123.210 6.227 -1.613 1.00 0.00 C ATOM 431 CD2 TYR E 18 121.091 7.089 -0.819 1.00 0.00 C ATOM 432 CE1 TYR E 18 123.547 5.865 -0.314 1.00 0.00 C ATOM 433 CE2 TYR E 18 121.423 6.730 0.482 1.00 0.00 C ATOM 434 CZ TYR E 18 122.660 6.115 0.738 1.00 0.00 C ATOM 435 OH TYR E 18 123.007 5.751 2.019 1.00 0.00 O ATOM 0 H TYR E 18 122.949 5.661 -5.147 1.00 0.00 H new ATOM 0 HA TYR E 18 120.574 5.354 -3.386 1.00 0.00 H new ATOM 0 HB2 TYR E 18 122.456 7.707 -3.760 1.00 0.00 H new ATOM 0 HB3 TYR E 18 120.796 7.949 -3.253 1.00 0.00 H new ATOM 0 HD1 TYR E 18 123.896 6.035 -2.424 1.00 0.00 H new ATOM 0 HD2 TYR E 18 120.142 7.562 -1.022 1.00 0.00 H new ATOM 0 HE1 TYR E 18 124.496 5.389 -0.117 1.00 0.00 H new ATOM 0 HE2 TYR E 18 120.734 6.923 1.291 1.00 0.00 H new ATOM 0 HH TYR E 18 122.658 4.856 2.211 1.00 0.00 H new ATOM 445 N LEU E 19 119.118 5.990 -5.321 1.00 0.00 N ATOM 446 CA LEU E 19 118.258 6.319 -6.465 1.00 0.00 C ATOM 447 C LEU E 19 117.048 7.164 -6.010 1.00 0.00 C ATOM 448 O LEU E 19 115.893 6.762 -6.197 1.00 0.00 O ATOM 449 CB LEU E 19 117.759 5.028 -7.157 1.00 0.00 C ATOM 450 CG LEU E 19 118.933 4.108 -7.568 1.00 0.00 C ATOM 451 CD1 LEU E 19 118.409 2.724 -7.990 1.00 0.00 C ATOM 452 CD2 LEU E 19 119.723 4.725 -8.733 1.00 0.00 C ATOM 0 H LEU E 19 118.654 5.462 -4.582 1.00 0.00 H new ATOM 0 HA LEU E 19 118.848 6.899 -7.175 1.00 0.00 H new ATOM 0 HB2 LEU E 19 117.093 4.489 -6.484 1.00 0.00 H new ATOM 0 HB3 LEU E 19 117.176 5.290 -8.040 1.00 0.00 H new ATOM 0 HG LEU E 19 119.591 3.999 -6.706 1.00 0.00 H new ATOM 0 HD11 LEU E 19 119.248 2.089 -8.276 1.00 0.00 H new ATOM 0 HD12 LEU E 19 117.876 2.267 -7.156 1.00 0.00 H new ATOM 0 HD13 LEU E 19 117.732 2.834 -8.837 1.00 0.00 H new ATOM 0 HD21 LEU E 19 120.544 4.063 -9.007 1.00 0.00 H new ATOM 0 HD22 LEU E 19 119.063 4.858 -9.590 1.00 0.00 H new ATOM 0 HD23 LEU E 19 120.123 5.692 -8.429 1.00 0.00 H new ATOM 464 N PRO E 20 117.285 8.332 -5.434 1.00 0.00 N ATOM 465 CA PRO E 20 116.187 9.241 -4.970 1.00 0.00 C ATOM 466 C PRO E 20 115.403 9.810 -6.147 1.00 0.00 C ATOM 467 O PRO E 20 114.249 10.224 -6.002 1.00 0.00 O ATOM 468 CB PRO E 20 116.922 10.362 -4.223 1.00 0.00 C ATOM 469 CG PRO E 20 118.302 10.367 -4.788 1.00 0.00 C ATOM 470 CD PRO E 20 118.614 8.920 -5.166 1.00 0.00 C ATOM 0 HA PRO E 20 115.458 8.721 -4.348 1.00 0.00 H new ATOM 0 HB2 PRO E 20 116.431 11.324 -4.374 1.00 0.00 H new ATOM 0 HB3 PRO E 20 116.937 10.176 -3.149 1.00 0.00 H new ATOM 0 HG2 PRO E 20 118.363 11.019 -5.660 1.00 0.00 H new ATOM 0 HG3 PRO E 20 119.020 10.742 -4.058 1.00 0.00 H new ATOM 0 HD2 PRO E 20 119.260 8.866 -6.042 1.00 0.00 H new ATOM 0 HD3 PRO E 20 119.127 8.397 -4.359 1.00 0.00 H new ATOM 478 N ASN E 21 116.063 9.844 -7.305 1.00 0.00 N ATOM 479 CA ASN E 21 115.470 10.384 -8.523 1.00 0.00 C ATOM 480 C ASN E 21 114.548 9.376 -9.213 1.00 0.00 C ATOM 481 O ASN E 21 113.892 9.727 -10.199 1.00 0.00 O ATOM 482 CB ASN E 21 116.588 10.791 -9.495 1.00 0.00 C ATOM 483 CG ASN E 21 117.503 11.841 -8.861 1.00 0.00 C ATOM 484 OD1 ASN E 21 117.054 12.671 -8.067 1.00 0.00 O ATOM 485 ND2 ASN E 21 118.769 11.859 -9.171 1.00 0.00 N ATOM 0 H ASN E 21 117.016 9.500 -7.422 1.00 0.00 H new ATOM 0 HA ASN E 21 114.868 11.248 -8.242 1.00 0.00 H new ATOM 0 HB2 ASN E 21 117.172 9.913 -9.773 1.00 0.00 H new ATOM 0 HB3 ASN E 21 116.152 11.188 -10.412 1.00 0.00 H new ATOM 0 HD21 ASN E 21 119.386 12.558 -8.757 1.00 0.00 H new ATOM 0 HD22 ASN E 21 119.143 11.174 -9.827 1.00 0.00 H new ATOM 492 N LEU E 22 114.488 8.131 -8.708 1.00 0.00 N ATOM 493 CA LEU E 22 113.630 7.119 -9.321 1.00 0.00 C ATOM 494 C LEU E 22 112.284 7.046 -8.630 1.00 0.00 C ATOM 495 O LEU E 22 112.193 6.993 -7.400 1.00 0.00 O ATOM 496 CB LEU E 22 114.311 5.744 -9.296 1.00 0.00 C ATOM 497 CG LEU E 22 115.566 5.760 -10.180 1.00 0.00 C ATOM 498 CD1 LEU E 22 116.193 4.354 -10.236 1.00 0.00 C ATOM 499 CD2 LEU E 22 115.232 6.237 -11.607 1.00 0.00 C ATOM 0 H LEU E 22 115.014 7.812 -7.894 1.00 0.00 H new ATOM 0 HA LEU E 22 113.465 7.412 -10.358 1.00 0.00 H new ATOM 0 HB2 LEU E 22 114.581 5.482 -8.273 1.00 0.00 H new ATOM 0 HB3 LEU E 22 113.618 4.980 -9.649 1.00 0.00 H new ATOM 0 HG LEU E 22 116.279 6.458 -9.741 1.00 0.00 H new ATOM 0 HD11 LEU E 22 117.082 4.377 -10.866 1.00 0.00 H new ATOM 0 HD12 LEU E 22 116.469 4.038 -9.230 1.00 0.00 H new ATOM 0 HD13 LEU E 22 115.472 3.650 -10.652 1.00 0.00 H new ATOM 0 HD21 LEU E 22 116.139 6.239 -12.212 1.00 0.00 H new ATOM 0 HD22 LEU E 22 114.500 5.564 -12.053 1.00 0.00 H new ATOM 0 HD23 LEU E 22 114.821 7.246 -11.567 1.00 0.00 H new ATOM 511 N ASN E 23 111.244 7.024 -9.455 1.00 0.00 N ATOM 512 CA ASN E 23 109.869 6.937 -8.970 1.00 0.00 C ATOM 513 C ASN E 23 109.605 5.522 -8.445 1.00 0.00 C ATOM 514 O ASN E 23 110.344 4.591 -8.785 1.00 0.00 O ATOM 515 CB ASN E 23 108.881 7.285 -10.099 1.00 0.00 C ATOM 516 CG ASN E 23 109.337 6.672 -11.421 1.00 0.00 C ATOM 517 OD1 ASN E 23 110.059 7.309 -12.186 1.00 0.00 O ATOM 518 ND2 ASN E 23 108.962 5.470 -11.733 1.00 0.00 N ATOM 0 H ASN E 23 111.327 7.065 -10.471 1.00 0.00 H new ATOM 0 HA ASN E 23 109.726 7.652 -8.160 1.00 0.00 H new ATOM 0 HB2 ASN E 23 107.887 6.917 -9.845 1.00 0.00 H new ATOM 0 HB3 ASN E 23 108.804 8.367 -10.201 1.00 0.00 H new ATOM 0 HD21 ASN E 23 109.266 5.053 -12.613 1.00 0.00 H new ATOM 0 HD22 ASN E 23 108.363 4.942 -11.098 1.00 0.00 H new ATOM 525 N PRO E 24 108.586 5.334 -7.625 1.00 0.00 N ATOM 526 CA PRO E 24 108.265 3.990 -7.055 1.00 0.00 C ATOM 527 C PRO E 24 108.149 2.917 -8.136 1.00 0.00 C ATOM 528 O PRO E 24 108.477 1.755 -7.895 1.00 0.00 O ATOM 529 CB PRO E 24 106.924 4.198 -6.340 1.00 0.00 C ATOM 530 CG PRO E 24 106.858 5.659 -6.039 1.00 0.00 C ATOM 531 CD PRO E 24 107.640 6.365 -7.146 1.00 0.00 C ATOM 0 HA PRO E 24 109.051 3.635 -6.389 1.00 0.00 H new ATOM 0 HB2 PRO E 24 106.090 3.889 -6.970 1.00 0.00 H new ATOM 0 HB3 PRO E 24 106.870 3.606 -5.427 1.00 0.00 H new ATOM 0 HG2 PRO E 24 105.824 6.004 -6.014 1.00 0.00 H new ATOM 0 HG3 PRO E 24 107.290 5.874 -5.061 1.00 0.00 H new ATOM 0 HD2 PRO E 24 106.982 6.706 -7.945 1.00 0.00 H new ATOM 0 HD3 PRO E 24 108.164 7.243 -6.768 1.00 0.00 H new ATOM 539 N ASP E 25 107.696 3.314 -9.330 1.00 0.00 N ATOM 540 CA ASP E 25 107.562 2.366 -10.433 1.00 0.00 C ATOM 541 C ASP E 25 108.940 1.882 -10.888 1.00 0.00 C ATOM 542 O ASP E 25 109.135 0.683 -11.099 1.00 0.00 O ATOM 543 CB ASP E 25 106.806 3.000 -11.610 1.00 0.00 C ATOM 544 CG ASP E 25 106.442 1.924 -12.636 1.00 0.00 C ATOM 545 OD1 ASP E 25 105.426 1.274 -12.449 1.00 0.00 O ATOM 546 OD2 ASP E 25 107.187 1.764 -13.590 1.00 0.00 O ATOM 0 H ASP E 25 107.421 4.271 -9.552 1.00 0.00 H new ATOM 0 HA ASP E 25 106.988 1.510 -10.079 1.00 0.00 H new ATOM 0 HB2 ASP E 25 105.902 3.492 -11.250 1.00 0.00 H new ATOM 0 HB3 ASP E 25 107.422 3.768 -12.078 1.00 0.00 H new ATOM 551 N GLN E 26 109.898 2.817 -11.038 1.00 0.00 N ATOM 552 CA GLN E 26 111.238 2.452 -11.463 1.00 0.00 C ATOM 553 C GLN E 26 111.946 1.638 -10.380 1.00 0.00 C ATOM 554 O GLN E 26 112.597 0.637 -10.686 1.00 0.00 O ATOM 555 CB GLN E 26 112.053 3.707 -11.803 1.00 0.00 C ATOM 556 CG GLN E 26 113.292 3.293 -12.595 1.00 0.00 C ATOM 557 CD GLN E 26 112.895 2.706 -13.951 1.00 0.00 C ATOM 558 OE1 GLN E 26 113.327 1.608 -14.304 1.00 0.00 O ATOM 559 NE2 GLN E 26 112.094 3.372 -14.737 1.00 0.00 N ATOM 0 H GLN E 26 109.760 3.814 -10.871 1.00 0.00 H new ATOM 0 HA GLN E 26 111.156 1.836 -12.358 1.00 0.00 H new ATOM 0 HB2 GLN E 26 111.449 4.403 -12.385 1.00 0.00 H new ATOM 0 HB3 GLN E 26 112.345 4.226 -10.890 1.00 0.00 H new ATOM 0 HG2 GLN E 26 113.941 4.156 -12.743 1.00 0.00 H new ATOM 0 HG3 GLN E 26 113.863 2.558 -12.028 1.00 0.00 H new ATOM 0 HE21 GLN E 26 111.735 4.282 -14.447 1.00 0.00 H new ATOM 0 HE22 GLN E 26 111.827 2.983 -15.641 1.00 0.00 H new ATOM 568 N LEU E 27 111.808 2.065 -9.114 1.00 0.00 N ATOM 569 CA LEU E 27 112.437 1.345 -8.003 1.00 0.00 C ATOM 570 C LEU E 27 111.865 -0.070 -7.916 1.00 0.00 C ATOM 571 O LEU E 27 112.608 -1.036 -7.755 1.00 0.00 O ATOM 572 CB LEU E 27 112.209 2.078 -6.668 1.00 0.00 C ATOM 573 CG LEU E 27 112.866 3.470 -6.694 1.00 0.00 C ATOM 574 CD1 LEU E 27 112.533 4.235 -5.405 1.00 0.00 C ATOM 575 CD2 LEU E 27 114.394 3.339 -6.814 1.00 0.00 C ATOM 0 H LEU E 27 111.275 2.891 -8.841 1.00 0.00 H new ATOM 0 HA LEU E 27 113.510 1.298 -8.190 1.00 0.00 H new ATOM 0 HB2 LEU E 27 111.140 2.178 -6.480 1.00 0.00 H new ATOM 0 HB3 LEU E 27 112.623 1.490 -5.849 1.00 0.00 H new ATOM 0 HG LEU E 27 112.479 4.014 -7.556 1.00 0.00 H new ATOM 0 HD11 LEU E 27 113.003 5.218 -5.434 1.00 0.00 H new ATOM 0 HD12 LEU E 27 111.453 4.351 -5.320 1.00 0.00 H new ATOM 0 HD13 LEU E 27 112.907 3.679 -4.545 1.00 0.00 H new ATOM 0 HD21 LEU E 27 114.844 4.332 -6.831 1.00 0.00 H new ATOM 0 HD22 LEU E 27 114.779 2.781 -5.961 1.00 0.00 H new ATOM 0 HD23 LEU E 27 114.643 2.812 -7.735 1.00 0.00 H new ATOM 587 N CYS E 28 110.540 -0.178 -8.047 1.00 0.00 N ATOM 588 CA CYS E 28 109.865 -1.476 -8.001 1.00 0.00 C ATOM 589 C CYS E 28 110.326 -2.354 -9.166 1.00 0.00 C ATOM 590 O CYS E 28 110.626 -3.540 -8.985 1.00 0.00 O ATOM 591 CB CYS E 28 108.347 -1.272 -8.068 1.00 0.00 C ATOM 592 SG CYS E 28 107.500 -2.814 -7.645 1.00 0.00 S ATOM 0 H CYS E 28 109.915 0.616 -8.185 1.00 0.00 H new ATOM 0 HA CYS E 28 110.120 -1.975 -7.066 1.00 0.00 H new ATOM 0 HB2 CYS E 28 108.047 -0.481 -7.380 1.00 0.00 H new ATOM 0 HB3 CYS E 28 108.058 -0.951 -9.069 1.00 0.00 H new ATOM 597 N ALA E 29 110.379 -1.751 -10.361 1.00 0.00 N ATOM 598 CA ALA E 29 110.805 -2.457 -11.573 1.00 0.00 C ATOM 599 C ALA E 29 112.239 -2.960 -11.424 1.00 0.00 C ATOM 600 O ALA E 29 112.548 -4.110 -11.748 1.00 0.00 O ATOM 601 CB ALA E 29 110.729 -1.501 -12.772 1.00 0.00 C ATOM 0 H ALA E 29 110.131 -0.773 -10.513 1.00 0.00 H new ATOM 0 HA ALA E 29 110.145 -3.310 -11.731 1.00 0.00 H new ATOM 0 HB1 ALA E 29 111.045 -2.024 -13.675 1.00 0.00 H new ATOM 0 HB2 ALA E 29 109.704 -1.152 -12.895 1.00 0.00 H new ATOM 0 HB3 ALA E 29 111.384 -0.647 -12.599 1.00 0.00 H new ATOM 607 N PHE E 30 113.102 -2.076 -10.928 1.00 0.00 N ATOM 608 CA PHE E 30 114.511 -2.391 -10.718 1.00 0.00 C ATOM 609 C PHE E 30 114.675 -3.469 -9.645 1.00 0.00 C ATOM 610 O PHE E 30 115.394 -4.442 -9.846 1.00 0.00 O ATOM 611 CB PHE E 30 115.242 -1.100 -10.308 1.00 0.00 C ATOM 612 CG PHE E 30 116.679 -1.382 -9.907 1.00 0.00 C ATOM 613 CD1 PHE E 30 117.577 -1.944 -10.823 1.00 0.00 C ATOM 614 CD2 PHE E 30 117.111 -1.066 -8.611 1.00 0.00 C ATOM 615 CE1 PHE E 30 118.903 -2.188 -10.440 1.00 0.00 C ATOM 616 CE2 PHE E 30 118.435 -1.307 -8.234 1.00 0.00 C ATOM 617 CZ PHE E 30 119.331 -1.867 -9.147 1.00 0.00 C ATOM 0 H PHE E 30 112.845 -1.126 -10.662 1.00 0.00 H new ATOM 0 HA PHE E 30 114.940 -2.783 -11.640 1.00 0.00 H new ATOM 0 HB2 PHE E 30 115.226 -0.392 -11.137 1.00 0.00 H new ATOM 0 HB3 PHE E 30 114.716 -0.630 -9.477 1.00 0.00 H new ATOM 0 HD1 PHE E 30 117.249 -2.189 -11.822 1.00 0.00 H new ATOM 0 HD2 PHE E 30 116.419 -0.635 -7.902 1.00 0.00 H new ATOM 0 HE1 PHE E 30 119.596 -2.625 -11.144 1.00 0.00 H new ATOM 0 HE2 PHE E 30 118.765 -1.060 -7.236 1.00 0.00 H new ATOM 0 HZ PHE E 30 120.354 -2.052 -8.855 1.00 0.00 H new ATOM 627 N ILE E 31 114.012 -3.266 -8.509 1.00 0.00 N ATOM 628 CA ILE E 31 114.081 -4.195 -7.377 1.00 0.00 C ATOM 629 C ILE E 31 113.637 -5.617 -7.751 1.00 0.00 C ATOM 630 O ILE E 31 114.235 -6.590 -7.283 1.00 0.00 O ATOM 631 CB ILE E 31 113.236 -3.612 -6.221 1.00 0.00 C ATOM 632 CG1 ILE E 31 114.034 -2.484 -5.560 1.00 0.00 C ATOM 633 CG2 ILE E 31 112.898 -4.663 -5.156 1.00 0.00 C ATOM 634 CD1 ILE E 31 113.136 -1.688 -4.612 1.00 0.00 C ATOM 0 H ILE E 31 113.413 -2.457 -8.345 1.00 0.00 H new ATOM 0 HA ILE E 31 115.120 -4.295 -7.062 1.00 0.00 H new ATOM 0 HB ILE E 31 112.297 -3.251 -6.640 1.00 0.00 H new ATOM 0 HG12 ILE E 31 114.878 -2.900 -5.010 1.00 0.00 H new ATOM 0 HG13 ILE E 31 114.445 -1.824 -6.324 1.00 0.00 H new ATOM 0 HG21 ILE E 31 112.304 -4.203 -4.367 1.00 0.00 H new ATOM 0 HG22 ILE E 31 112.330 -5.474 -5.612 1.00 0.00 H new ATOM 0 HG23 ILE E 31 113.820 -5.060 -4.731 1.00 0.00 H new ATOM 0 HD11 ILE E 31 113.714 -0.889 -4.148 1.00 0.00 H new ATOM 0 HD12 ILE E 31 112.306 -1.257 -5.173 1.00 0.00 H new ATOM 0 HD13 ILE E 31 112.746 -2.350 -3.839 1.00 0.00 H new ATOM 646 N HIS E 32 112.608 -5.745 -8.591 1.00 0.00 N ATOM 647 CA HIS E 32 112.142 -7.076 -8.990 1.00 0.00 C ATOM 648 C HIS E 32 113.209 -7.781 -9.826 1.00 0.00 C ATOM 649 O HIS E 32 113.565 -8.930 -9.557 1.00 0.00 O ATOM 650 CB HIS E 32 110.832 -6.968 -9.788 1.00 0.00 C ATOM 651 CG HIS E 32 109.657 -6.975 -8.842 1.00 0.00 C ATOM 652 ND1 HIS E 32 109.082 -5.809 -8.363 1.00 0.00 N ATOM 653 CD2 HIS E 32 108.945 -8.005 -8.277 1.00 0.00 C ATOM 654 CE1 HIS E 32 108.070 -6.162 -7.546 1.00 0.00 C ATOM 655 NE2 HIS E 32 107.944 -7.490 -7.458 1.00 0.00 N ATOM 0 H HIS E 32 112.092 -4.966 -9.000 1.00 0.00 H new ATOM 0 HA HIS E 32 111.956 -7.662 -8.090 1.00 0.00 H new ATOM 0 HB2 HIS E 32 110.830 -6.052 -10.379 1.00 0.00 H new ATOM 0 HB3 HIS E 32 110.752 -7.799 -10.488 1.00 0.00 H new ATOM 0 HD1 HIS E 32 109.372 -4.857 -8.588 1.00 0.00 H new ATOM 0 HD2 HIS E 32 109.133 -9.055 -8.443 1.00 0.00 H new ATOM 0 HE1 HIS E 32 107.438 -5.458 -7.026 1.00 0.00 H new ATOM 664 N SER E 33 113.708 -7.073 -10.839 1.00 0.00 N ATOM 665 CA SER E 33 114.736 -7.611 -11.732 1.00 0.00 C ATOM 666 C SER E 33 116.052 -7.849 -10.985 1.00 0.00 C ATOM 667 O SER E 33 116.726 -8.861 -11.199 1.00 0.00 O ATOM 668 CB SER E 33 114.957 -6.625 -12.881 1.00 0.00 C ATOM 669 OG SER E 33 115.800 -7.214 -13.865 1.00 0.00 O ATOM 0 H SER E 33 113.416 -6.122 -11.063 1.00 0.00 H new ATOM 0 HA SER E 33 114.398 -8.572 -12.121 1.00 0.00 H new ATOM 0 HB2 SER E 33 114.001 -6.350 -13.326 1.00 0.00 H new ATOM 0 HB3 SER E 33 115.409 -5.708 -12.504 1.00 0.00 H new ATOM 0 HG SER E 33 115.938 -6.580 -14.600 1.00 0.00 H new ATOM 675 N LEU E 34 116.399 -6.900 -10.116 1.00 0.00 N ATOM 676 CA LEU E 34 117.627 -6.964 -9.316 1.00 0.00 C ATOM 677 C LEU E 34 117.648 -8.238 -8.475 1.00 0.00 C ATOM 678 O LEU E 34 118.692 -8.878 -8.325 1.00 0.00 O ATOM 679 CB LEU E 34 117.678 -5.726 -8.406 1.00 0.00 C ATOM 680 CG LEU E 34 119.042 -5.612 -7.714 1.00 0.00 C ATOM 681 CD1 LEU E 34 120.142 -5.422 -8.773 1.00 0.00 C ATOM 682 CD2 LEU E 34 119.022 -4.408 -6.752 1.00 0.00 C ATOM 0 H LEU E 34 115.839 -6.065 -9.945 1.00 0.00 H new ATOM 0 HA LEU E 34 118.496 -6.980 -9.973 1.00 0.00 H new ATOM 0 HB2 LEU E 34 117.488 -4.829 -8.995 1.00 0.00 H new ATOM 0 HB3 LEU E 34 116.889 -5.788 -7.656 1.00 0.00 H new ATOM 0 HG LEU E 34 119.247 -6.522 -7.150 1.00 0.00 H new ATOM 0 HD11 LEU E 34 121.111 -5.341 -8.281 1.00 0.00 H new ATOM 0 HD12 LEU E 34 120.149 -6.278 -9.448 1.00 0.00 H new ATOM 0 HD13 LEU E 34 119.947 -4.513 -9.341 1.00 0.00 H new ATOM 0 HD21 LEU E 34 119.989 -4.322 -6.257 1.00 0.00 H new ATOM 0 HD22 LEU E 34 118.820 -3.496 -7.314 1.00 0.00 H new ATOM 0 HD23 LEU E 34 118.243 -4.553 -6.004 1.00 0.00 H new ATOM 694 N HIS E 35 116.482 -8.594 -7.935 1.00 0.00 N ATOM 695 CA HIS E 35 116.344 -9.789 -7.106 1.00 0.00 C ATOM 696 C HIS E 35 116.231 -11.056 -7.966 1.00 0.00 C ATOM 697 O HIS E 35 116.891 -12.060 -7.684 1.00 0.00 O ATOM 698 CB HIS E 35 115.097 -9.649 -6.224 1.00 0.00 C ATOM 699 CG HIS E 35 115.046 -10.781 -5.224 1.00 0.00 C ATOM 700 ND1 HIS E 35 115.832 -10.795 -4.083 1.00 0.00 N ATOM 701 CD2 HIS E 35 114.315 -11.944 -5.188 1.00 0.00 C ATOM 702 CE1 HIS E 35 115.559 -11.931 -3.414 1.00 0.00 C ATOM 703 NE2 HIS E 35 114.641 -12.667 -4.045 1.00 0.00 N ATOM 0 H HIS E 35 115.617 -8.068 -8.058 1.00 0.00 H new ATOM 0 HA HIS E 35 117.235 -9.884 -6.485 1.00 0.00 H new ATOM 0 HB2 HIS E 35 115.115 -8.692 -5.703 1.00 0.00 H new ATOM 0 HB3 HIS E 35 114.200 -9.658 -6.843 1.00 0.00 H new ATOM 0 HD2 HIS E 35 113.596 -12.250 -5.934 1.00 0.00 H new ATOM 0 HE1 HIS E 35 116.025 -12.212 -2.481 1.00 0.00 H new ATOM 0 HE2 HIS E 35 114.260 -13.567 -3.752 1.00 0.00 H new ATOM 712 N ASP E 36 115.368 -11.006 -8.988 1.00 0.00 N ATOM 713 CA ASP E 36 115.139 -12.160 -9.868 1.00 0.00 C ATOM 714 C ASP E 36 116.429 -12.620 -10.556 1.00 0.00 C ATOM 715 O ASP E 36 116.655 -13.823 -10.710 1.00 0.00 O ATOM 716 CB ASP E 36 114.085 -11.810 -10.926 1.00 0.00 C ATOM 717 CG ASP E 36 113.619 -13.080 -11.644 1.00 0.00 C ATOM 718 OD1 ASP E 36 112.742 -13.746 -11.119 1.00 0.00 O ATOM 719 OD2 ASP E 36 114.148 -13.370 -12.706 1.00 0.00 O ATOM 0 H ASP E 36 114.818 -10.181 -9.226 1.00 0.00 H new ATOM 0 HA ASP E 36 114.782 -12.981 -9.247 1.00 0.00 H new ATOM 0 HB2 ASP E 36 113.235 -11.317 -10.455 1.00 0.00 H new ATOM 0 HB3 ASP E 36 114.502 -11.107 -11.647 1.00 0.00 H new ATOM 724 N ASP E 37 117.264 -11.657 -10.970 1.00 0.00 N ATOM 725 CA ASP E 37 118.532 -11.964 -11.647 1.00 0.00 C ATOM 726 C ASP E 37 119.709 -11.296 -10.915 1.00 0.00 C ATOM 727 O ASP E 37 120.159 -10.213 -11.306 1.00 0.00 O ATOM 728 CB ASP E 37 118.477 -11.479 -13.106 1.00 0.00 C ATOM 729 CG ASP E 37 117.324 -12.157 -13.846 1.00 0.00 C ATOM 730 OD1 ASP E 37 116.220 -11.645 -13.772 1.00 0.00 O ATOM 731 OD2 ASP E 37 117.561 -13.179 -14.472 1.00 0.00 O ATOM 0 H ASP E 37 117.085 -10.660 -10.848 1.00 0.00 H new ATOM 0 HA ASP E 37 118.682 -13.043 -11.633 1.00 0.00 H new ATOM 0 HB2 ASP E 37 118.349 -10.397 -13.132 1.00 0.00 H new ATOM 0 HB3 ASP E 37 119.420 -11.701 -13.606 1.00 0.00 H new ATOM 736 N PRO E 38 120.214 -11.914 -9.859 1.00 0.00 N ATOM 737 CA PRO E 38 121.354 -11.353 -9.069 1.00 0.00 C ATOM 738 C PRO E 38 122.685 -11.474 -9.815 1.00 0.00 C ATOM 739 O PRO E 38 123.608 -10.686 -9.586 1.00 0.00 O ATOM 740 CB PRO E 38 121.353 -12.189 -7.789 1.00 0.00 C ATOM 741 CG PRO E 38 120.775 -13.504 -8.192 1.00 0.00 C ATOM 742 CD PRO E 38 119.764 -13.209 -9.304 1.00 0.00 C ATOM 0 HA PRO E 38 121.240 -10.286 -8.879 1.00 0.00 H new ATOM 0 HB2 PRO E 38 122.361 -12.305 -7.392 1.00 0.00 H new ATOM 0 HB3 PRO E 38 120.756 -11.717 -7.009 1.00 0.00 H new ATOM 0 HG2 PRO E 38 121.555 -14.179 -8.545 1.00 0.00 H new ATOM 0 HG3 PRO E 38 120.291 -13.991 -7.346 1.00 0.00 H new ATOM 0 HD2 PRO E 38 119.765 -13.991 -10.063 1.00 0.00 H new ATOM 0 HD3 PRO E 38 118.748 -13.145 -8.914 1.00 0.00 H new ATOM 750 N SER E 39 122.768 -12.463 -10.714 1.00 0.00 N ATOM 751 CA SER E 39 123.981 -12.687 -11.508 1.00 0.00 C ATOM 752 C SER E 39 124.323 -11.442 -12.329 1.00 0.00 C ATOM 753 O SER E 39 125.495 -11.089 -12.479 1.00 0.00 O ATOM 754 CB SER E 39 123.775 -13.883 -12.447 1.00 0.00 C ATOM 755 OG SER E 39 124.960 -14.104 -13.205 1.00 0.00 O ATOM 0 H SER E 39 122.011 -13.119 -10.909 1.00 0.00 H new ATOM 0 HA SER E 39 124.807 -12.896 -10.828 1.00 0.00 H new ATOM 0 HB2 SER E 39 123.529 -14.774 -11.869 1.00 0.00 H new ATOM 0 HB3 SER E 39 122.934 -13.694 -13.114 1.00 0.00 H new ATOM 0 HG SER E 39 124.828 -14.869 -13.803 1.00 0.00 H new ATOM 761 N GLN E 40 123.280 -10.781 -12.843 1.00 0.00 N ATOM 762 CA GLN E 40 123.443 -9.563 -13.642 1.00 0.00 C ATOM 763 C GLN E 40 123.152 -8.322 -12.801 1.00 0.00 C ATOM 764 O GLN E 40 122.938 -7.243 -13.349 1.00 0.00 O ATOM 765 CB GLN E 40 122.485 -9.572 -14.845 1.00 0.00 C ATOM 766 CG GLN E 40 122.681 -10.822 -15.712 1.00 0.00 C ATOM 767 CD GLN E 40 124.157 -11.036 -16.055 1.00 0.00 C ATOM 768 OE1 GLN E 40 124.737 -10.262 -16.813 1.00 0.00 O ATOM 769 NE2 GLN E 40 124.800 -12.042 -15.529 1.00 0.00 N ATOM 0 H GLN E 40 122.310 -11.071 -12.719 1.00 0.00 H new ATOM 0 HA GLN E 40 124.475 -9.536 -13.992 1.00 0.00 H new ATOM 0 HB2 GLN E 40 121.455 -9.532 -14.491 1.00 0.00 H new ATOM 0 HB3 GLN E 40 122.650 -8.680 -15.449 1.00 0.00 H new ATOM 0 HG2 GLN E 40 122.298 -11.696 -15.185 1.00 0.00 H new ATOM 0 HG3 GLN E 40 122.103 -10.724 -16.631 1.00 0.00 H new ATOM 0 HE21 GLN E 40 124.317 -12.683 -14.900 1.00 0.00 H new ATOM 0 HE22 GLN E 40 125.786 -12.187 -15.747 1.00 0.00 H new ATOM 778 N SER E 41 123.129 -8.479 -11.475 1.00 0.00 N ATOM 779 CA SER E 41 122.837 -7.356 -10.578 1.00 0.00 C ATOM 780 C SER E 41 123.700 -6.136 -10.909 1.00 0.00 C ATOM 781 O SER E 41 123.236 -4.995 -10.809 1.00 0.00 O ATOM 782 CB SER E 41 123.067 -7.780 -9.132 1.00 0.00 C ATOM 783 OG SER E 41 124.438 -8.108 -8.937 1.00 0.00 O ATOM 0 H SER E 41 123.307 -9.364 -11.001 1.00 0.00 H new ATOM 0 HA SER E 41 121.793 -7.074 -10.716 1.00 0.00 H new ATOM 0 HB2 SER E 41 122.777 -6.975 -8.457 1.00 0.00 H new ATOM 0 HB3 SER E 41 122.441 -8.639 -8.891 1.00 0.00 H new ATOM 0 HG SER E 41 124.574 -9.063 -9.109 1.00 0.00 H new ATOM 789 N ALA E 42 124.940 -6.388 -11.328 1.00 0.00 N ATOM 790 CA ALA E 42 125.848 -5.309 -11.704 1.00 0.00 C ATOM 791 C ALA E 42 125.374 -4.659 -13.004 1.00 0.00 C ATOM 792 O ALA E 42 125.298 -3.431 -13.105 1.00 0.00 O ATOM 793 CB ALA E 42 127.266 -5.859 -11.887 1.00 0.00 C ATOM 0 H ALA E 42 125.335 -7.324 -11.415 1.00 0.00 H new ATOM 0 HA ALA E 42 125.855 -4.560 -10.912 1.00 0.00 H new ATOM 0 HB1 ALA E 42 127.938 -5.048 -12.168 1.00 0.00 H new ATOM 0 HB2 ALA E 42 127.607 -6.305 -10.953 1.00 0.00 H new ATOM 0 HB3 ALA E 42 127.264 -6.616 -12.671 1.00 0.00 H new ATOM 799 N ASN E 43 125.048 -5.498 -13.992 1.00 0.00 N ATOM 800 CA ASN E 43 124.575 -5.009 -15.286 1.00 0.00 C ATOM 801 C ASN E 43 123.260 -4.247 -15.137 1.00 0.00 C ATOM 802 O ASN E 43 123.129 -3.136 -15.647 1.00 0.00 O ATOM 803 CB ASN E 43 124.388 -6.185 -16.258 1.00 0.00 C ATOM 804 CG ASN E 43 125.751 -6.711 -16.699 1.00 0.00 C ATOM 805 OD1 ASN E 43 126.128 -7.834 -16.367 1.00 0.00 O ATOM 806 ND2 ASN E 43 126.519 -5.955 -17.436 1.00 0.00 N ATOM 0 H ASN E 43 125.103 -6.514 -13.919 1.00 0.00 H new ATOM 0 HA ASN E 43 125.325 -4.326 -15.685 1.00 0.00 H new ATOM 0 HB2 ASN E 43 123.819 -6.980 -15.776 1.00 0.00 H new ATOM 0 HB3 ASN E 43 123.813 -5.863 -17.127 1.00 0.00 H new ATOM 0 HD21 ASN E 43 127.432 -6.295 -17.737 1.00 0.00 H new ATOM 0 HD22 ASN E 43 126.206 -5.024 -17.711 1.00 0.00 H new ATOM 813 N LEU E 44 122.297 -4.856 -14.433 1.00 0.00 N ATOM 814 CA LEU E 44 120.983 -4.238 -14.213 1.00 0.00 C ATOM 815 C LEU E 44 121.135 -2.899 -13.503 1.00 0.00 C ATOM 816 O LEU E 44 120.520 -1.901 -13.892 1.00 0.00 O ATOM 817 CB LEU E 44 120.105 -5.162 -13.356 1.00 0.00 C ATOM 818 CG LEU E 44 119.863 -6.499 -14.077 1.00 0.00 C ATOM 819 CD1 LEU E 44 119.198 -7.486 -13.108 1.00 0.00 C ATOM 820 CD2 LEU E 44 118.949 -6.279 -15.293 1.00 0.00 C ATOM 0 H LEU E 44 122.403 -5.776 -14.006 1.00 0.00 H new ATOM 0 HA LEU E 44 120.513 -4.079 -15.184 1.00 0.00 H new ATOM 0 HB2 LEU E 44 120.587 -5.343 -12.395 1.00 0.00 H new ATOM 0 HB3 LEU E 44 119.151 -4.677 -13.148 1.00 0.00 H new ATOM 0 HG LEU E 44 120.817 -6.904 -14.416 1.00 0.00 H new ATOM 0 HD11 LEU E 44 119.025 -8.435 -13.616 1.00 0.00 H new ATOM 0 HD12 LEU E 44 119.850 -7.648 -12.249 1.00 0.00 H new ATOM 0 HD13 LEU E 44 118.246 -7.077 -12.769 1.00 0.00 H new ATOM 0 HD21 LEU E 44 118.782 -7.230 -15.799 1.00 0.00 H new ATOM 0 HD22 LEU E 44 117.994 -5.871 -14.961 1.00 0.00 H new ATOM 0 HD23 LEU E 44 119.422 -5.580 -15.982 1.00 0.00 H new ATOM 832 N LEU E 45 121.971 -2.891 -12.467 1.00 0.00 N ATOM 833 CA LEU E 45 122.229 -1.681 -11.700 1.00 0.00 C ATOM 834 C LEU E 45 122.861 -0.619 -12.593 1.00 0.00 C ATOM 835 O LEU E 45 122.552 0.567 -12.464 1.00 0.00 O ATOM 836 CB LEU E 45 123.125 -2.022 -10.505 1.00 0.00 C ATOM 837 CG LEU E 45 123.536 -0.758 -9.728 1.00 0.00 C ATOM 838 CD1 LEU E 45 122.331 0.195 -9.505 1.00 0.00 C ATOM 839 CD2 LEU E 45 124.128 -1.183 -8.372 1.00 0.00 C ATOM 0 H LEU E 45 122.481 -3.712 -12.141 1.00 0.00 H new ATOM 0 HA LEU E 45 121.292 -1.274 -11.321 1.00 0.00 H new ATOM 0 HB2 LEU E 45 122.599 -2.705 -9.838 1.00 0.00 H new ATOM 0 HB3 LEU E 45 124.017 -2.541 -10.855 1.00 0.00 H new ATOM 0 HG LEU E 45 124.277 -0.214 -10.313 1.00 0.00 H new ATOM 0 HD11 LEU E 45 122.661 1.075 -8.953 1.00 0.00 H new ATOM 0 HD12 LEU E 45 121.926 0.502 -10.470 1.00 0.00 H new ATOM 0 HD13 LEU E 45 121.559 -0.322 -8.935 1.00 0.00 H new ATOM 0 HD21 LEU E 45 124.424 -0.297 -7.810 1.00 0.00 H new ATOM 0 HD22 LEU E 45 123.380 -1.738 -7.806 1.00 0.00 H new ATOM 0 HD23 LEU E 45 125.000 -1.815 -8.538 1.00 0.00 H new ATOM 851 N ALA E 46 123.712 -1.054 -13.527 1.00 0.00 N ATOM 852 CA ALA E 46 124.341 -0.122 -14.461 1.00 0.00 C ATOM 853 C ALA E 46 123.250 0.654 -15.200 1.00 0.00 C ATOM 854 O ALA E 46 123.412 1.835 -15.502 1.00 0.00 O ATOM 855 CB ALA E 46 125.209 -0.887 -15.471 1.00 0.00 C ATOM 0 H ALA E 46 123.977 -2.031 -13.654 1.00 0.00 H new ATOM 0 HA ALA E 46 124.978 0.569 -13.909 1.00 0.00 H new ATOM 0 HB1 ALA E 46 125.672 -0.181 -16.161 1.00 0.00 H new ATOM 0 HB2 ALA E 46 125.985 -1.438 -14.940 1.00 0.00 H new ATOM 0 HB3 ALA E 46 124.587 -1.586 -16.030 1.00 0.00 H new ATOM 861 N GLU E 47 122.134 -0.034 -15.461 1.00 0.00 N ATOM 862 CA GLU E 47 120.987 0.565 -16.149 1.00 0.00 C ATOM 863 C GLU E 47 120.221 1.483 -15.223 1.00 0.00 C ATOM 864 O GLU E 47 119.763 2.547 -15.639 1.00 0.00 O ATOM 865 CB GLU E 47 120.007 -0.514 -16.616 1.00 0.00 C ATOM 866 CG GLU E 47 120.770 -1.724 -17.108 1.00 0.00 C ATOM 867 CD GLU E 47 119.848 -2.657 -17.897 1.00 0.00 C ATOM 868 OE1 GLU E 47 118.963 -3.235 -17.287 1.00 0.00 O ATOM 869 OE2 GLU E 47 120.036 -2.775 -19.098 1.00 0.00 O ATOM 0 H GLU E 47 122.001 -1.012 -15.204 1.00 0.00 H new ATOM 0 HA GLU E 47 121.385 1.119 -16.999 1.00 0.00 H new ATOM 0 HB2 GLU E 47 119.347 -0.798 -15.796 1.00 0.00 H new ATOM 0 HB3 GLU E 47 119.375 -0.123 -17.413 1.00 0.00 H new ATOM 0 HG2 GLU E 47 121.600 -1.406 -17.738 1.00 0.00 H new ATOM 0 HG3 GLU E 47 121.200 -2.259 -16.261 1.00 0.00 H new ATOM 876 N ALA E 48 120.066 1.054 -13.963 1.00 0.00 N ATOM 877 CA ALA E 48 119.325 1.838 -12.994 1.00 0.00 C ATOM 878 C ALA E 48 120.057 3.137 -12.726 1.00 0.00 C ATOM 879 O ALA E 48 119.442 4.153 -12.419 1.00 0.00 O ATOM 880 CB ALA E 48 119.107 1.072 -11.699 1.00 0.00 C ATOM 0 H ALA E 48 120.443 0.177 -13.604 1.00 0.00 H new ATOM 0 HA ALA E 48 118.341 2.054 -13.411 1.00 0.00 H new ATOM 0 HB1 ALA E 48 118.548 1.693 -10.999 1.00 0.00 H new ATOM 0 HB2 ALA E 48 118.544 0.161 -11.905 1.00 0.00 H new ATOM 0 HB3 ALA E 48 120.072 0.812 -11.263 1.00 0.00 H new ATOM 886 N LYS E 49 121.378 3.088 -12.882 1.00 0.00 N ATOM 887 CA LYS E 49 122.193 4.269 -12.706 1.00 0.00 C ATOM 888 C LYS E 49 121.979 5.192 -13.902 1.00 0.00 C ATOM 889 O LYS E 49 121.831 6.405 -13.737 1.00 0.00 O ATOM 890 CB LYS E 49 123.659 3.884 -12.530 1.00 0.00 C ATOM 891 CG LYS E 49 123.897 3.534 -11.060 1.00 0.00 C ATOM 892 CD LYS E 49 125.016 2.506 -10.956 1.00 0.00 C ATOM 893 CE LYS E 49 125.196 2.102 -9.506 1.00 0.00 C ATOM 894 NZ LYS E 49 126.398 1.227 -9.379 1.00 0.00 N ATOM 0 H LYS E 49 121.896 2.245 -13.128 1.00 0.00 H new ATOM 0 HA LYS E 49 121.899 4.801 -11.801 1.00 0.00 H new ATOM 0 HB2 LYS E 49 123.906 3.034 -13.166 1.00 0.00 H new ATOM 0 HB3 LYS E 49 124.306 4.708 -12.833 1.00 0.00 H new ATOM 0 HG2 LYS E 49 124.160 4.431 -10.500 1.00 0.00 H new ATOM 0 HG3 LYS E 49 122.983 3.138 -10.617 1.00 0.00 H new ATOM 0 HD2 LYS E 49 124.779 1.631 -11.562 1.00 0.00 H new ATOM 0 HD3 LYS E 49 125.944 2.922 -11.347 1.00 0.00 H new ATOM 0 HE2 LYS E 49 125.311 2.988 -8.882 1.00 0.00 H new ATOM 0 HE3 LYS E 49 124.310 1.575 -9.152 1.00 0.00 H new ATOM 0 HZ1 LYS E 49 126.881 1.428 -8.480 1.00 0.00 H new ATOM 0 HZ2 LYS E 49 126.105 0.229 -9.399 1.00 0.00 H new ATOM 0 HZ3 LYS E 49 127.048 1.413 -10.170 1.00 0.00 H new ATOM 908 N LYS E 50 121.876 4.594 -15.104 1.00 0.00 N ATOM 909 CA LYS E 50 121.571 5.374 -16.305 1.00 0.00 C ATOM 910 C LYS E 50 120.185 5.979 -16.107 1.00 0.00 C ATOM 911 O LYS E 50 119.888 7.070 -16.587 1.00 0.00 O ATOM 912 CB LYS E 50 121.567 4.490 -17.564 1.00 0.00 C ATOM 913 CG LYS E 50 122.991 4.030 -17.900 1.00 0.00 C ATOM 914 CD LYS E 50 122.960 3.149 -19.160 1.00 0.00 C ATOM 915 CE LYS E 50 124.282 2.387 -19.303 1.00 0.00 C ATOM 916 NZ LYS E 50 125.396 3.352 -19.544 1.00 0.00 N ATOM 0 H LYS E 50 121.998 3.594 -15.262 1.00 0.00 H new ATOM 0 HA LYS E 50 122.331 6.142 -16.447 1.00 0.00 H new ATOM 0 HB2 LYS E 50 120.926 3.623 -17.405 1.00 0.00 H new ATOM 0 HB3 LYS E 50 121.150 5.045 -18.404 1.00 0.00 H new ATOM 0 HG2 LYS E 50 123.635 4.894 -18.063 1.00 0.00 H new ATOM 0 HG3 LYS E 50 123.412 3.472 -17.063 1.00 0.00 H new ATOM 0 HD2 LYS E 50 122.130 2.445 -19.100 1.00 0.00 H new ATOM 0 HD3 LYS E 50 122.791 3.767 -20.041 1.00 0.00 H new ATOM 0 HE2 LYS E 50 124.478 1.808 -18.401 1.00 0.00 H new ATOM 0 HE3 LYS E 50 124.217 1.678 -20.129 1.00 0.00 H new ATOM 0 HZ1 LYS E 50 126.269 2.828 -19.758 1.00 0.00 H new ATOM 0 HZ2 LYS E 50 125.155 3.967 -20.348 1.00 0.00 H new ATOM 0 HZ3 LYS E 50 125.541 3.934 -18.694 1.00 0.00 H new ATOM 930 N LEU E 51 119.365 5.232 -15.353 1.00 0.00 N ATOM 931 CA LEU E 51 118.009 5.632 -15.005 1.00 0.00 C ATOM 932 C LEU E 51 118.067 6.763 -13.977 1.00 0.00 C ATOM 933 O LEU E 51 117.320 7.741 -14.067 1.00 0.00 O ATOM 934 CB LEU E 51 117.286 4.418 -14.399 1.00 0.00 C ATOM 935 CG LEU E 51 115.946 4.112 -15.084 1.00 0.00 C ATOM 936 CD1 LEU E 51 115.024 5.353 -15.120 1.00 0.00 C ATOM 937 CD2 LEU E 51 116.197 3.589 -16.509 1.00 0.00 C ATOM 0 H LEU E 51 119.634 4.327 -14.968 1.00 0.00 H new ATOM 0 HA LEU E 51 117.475 5.979 -15.890 1.00 0.00 H new ATOM 0 HB2 LEU E 51 117.933 3.544 -14.472 1.00 0.00 H new ATOM 0 HB3 LEU E 51 117.112 4.598 -13.338 1.00 0.00 H new ATOM 0 HG LEU E 51 115.437 3.345 -14.501 1.00 0.00 H new ATOM 0 HD11 LEU E 51 114.086 5.095 -15.612 1.00 0.00 H new ATOM 0 HD12 LEU E 51 114.820 5.684 -14.102 1.00 0.00 H new ATOM 0 HD13 LEU E 51 115.515 6.155 -15.671 1.00 0.00 H new ATOM 0 HD21 LEU E 51 115.243 3.373 -16.991 1.00 0.00 H new ATOM 0 HD22 LEU E 51 116.732 4.344 -17.085 1.00 0.00 H new ATOM 0 HD23 LEU E 51 116.794 2.678 -16.462 1.00 0.00 H new ATOM 949 N ASN E 52 118.991 6.618 -13.007 1.00 0.00 N ATOM 950 CA ASN E 52 119.192 7.625 -11.961 1.00 0.00 C ATOM 951 C ASN E 52 119.479 8.964 -12.631 1.00 0.00 C ATOM 952 O ASN E 52 118.995 10.016 -12.203 1.00 0.00 O ATOM 953 CB ASN E 52 120.374 7.225 -11.045 1.00 0.00 C ATOM 954 CG ASN E 52 120.522 8.239 -9.914 1.00 0.00 C ATOM 955 OD1 ASN E 52 121.570 8.868 -9.773 1.00 0.00 O ATOM 956 ND2 ASN E 52 119.524 8.448 -9.104 1.00 0.00 N ATOM 0 H ASN E 52 119.608 5.810 -12.931 1.00 0.00 H new ATOM 0 HA ASN E 52 118.296 7.699 -11.344 1.00 0.00 H new ATOM 0 HB2 ASN E 52 120.205 6.230 -10.633 1.00 0.00 H new ATOM 0 HB3 ASN E 52 121.295 7.178 -11.626 1.00 0.00 H new ATOM 0 HD21 ASN E 52 119.611 9.133 -8.353 1.00 0.00 H new ATOM 0 HD22 ASN E 52 118.655 7.927 -9.220 1.00 0.00 H new ATOM 963 N ASP E 53 120.250 8.881 -13.715 1.00 0.00 N ATOM 964 CA ASP E 53 120.608 10.049 -14.518 1.00 0.00 C ATOM 965 C ASP E 53 119.450 10.431 -15.453 1.00 0.00 C ATOM 966 O ASP E 53 119.258 11.606 -15.774 1.00 0.00 O ATOM 967 CB ASP E 53 121.864 9.747 -15.346 1.00 0.00 C ATOM 968 CG ASP E 53 122.326 11.006 -16.083 1.00 0.00 C ATOM 969 OD1 ASP E 53 123.019 11.806 -15.475 1.00 0.00 O ATOM 970 OD2 ASP E 53 121.978 11.152 -17.245 1.00 0.00 O ATOM 0 H ASP E 53 120.643 8.005 -14.060 1.00 0.00 H new ATOM 0 HA ASP E 53 120.809 10.885 -13.848 1.00 0.00 H new ATOM 0 HB2 ASP E 53 122.660 9.385 -14.695 1.00 0.00 H new ATOM 0 HB3 ASP E 53 121.654 8.953 -16.063 1.00 0.00 H new ATOM 975 N ALA E 54 118.692 9.420 -15.893 1.00 0.00 N ATOM 976 CA ALA E 54 117.557 9.631 -16.798 1.00 0.00 C ATOM 977 C ALA E 54 116.462 10.465 -16.131 1.00 0.00 C ATOM 978 O ALA E 54 115.655 11.096 -16.821 1.00 0.00 O ATOM 979 CB ALA E 54 116.968 8.279 -17.233 1.00 0.00 C ATOM 0 H ALA E 54 118.845 8.445 -15.636 1.00 0.00 H new ATOM 0 HA ALA E 54 117.925 10.172 -17.670 1.00 0.00 H new ATOM 0 HB1 ALA E 54 116.126 8.448 -17.904 1.00 0.00 H new ATOM 0 HB2 ALA E 54 117.733 7.698 -17.749 1.00 0.00 H new ATOM 0 HB3 ALA E 54 116.627 7.731 -16.355 1.00 0.00 H new ATOM 985 N GLN E 55 116.435 10.453 -14.793 1.00 0.00 N ATOM 986 CA GLN E 55 115.428 11.200 -14.028 1.00 0.00 C ATOM 987 C GLN E 55 116.101 12.168 -13.054 1.00 0.00 C ATOM 988 O GLN E 55 115.440 12.793 -12.219 1.00 0.00 O ATOM 989 CB GLN E 55 114.524 10.221 -13.266 1.00 0.00 C ATOM 990 CG GLN E 55 113.873 9.254 -14.268 1.00 0.00 C ATOM 991 CD GLN E 55 112.781 8.403 -13.607 1.00 0.00 C ATOM 992 OE1 GLN E 55 112.136 7.601 -14.281 1.00 0.00 O ATOM 993 NE2 GLN E 55 112.529 8.523 -12.331 1.00 0.00 N ATOM 0 H GLN E 55 117.098 9.935 -14.217 1.00 0.00 H new ATOM 0 HA GLN E 55 114.820 11.781 -14.721 1.00 0.00 H new ATOM 0 HB2 GLN E 55 115.107 9.665 -12.531 1.00 0.00 H new ATOM 0 HB3 GLN E 55 113.757 10.767 -12.717 1.00 0.00 H new ATOM 0 HG2 GLN E 55 113.443 9.821 -15.094 1.00 0.00 H new ATOM 0 HG3 GLN E 55 114.636 8.601 -14.692 1.00 0.00 H new ATOM 0 HE21 GLN E 55 113.060 9.186 -11.766 1.00 0.00 H new ATOM 0 HE22 GLN E 55 111.801 7.954 -11.899 1.00 0.00 H new ATOM 1002 N ALA E 56 117.425 12.267 -13.176 1.00 0.00 N ATOM 1003 CA ALA E 56 118.237 13.121 -12.334 1.00 0.00 C ATOM 1004 C ALA E 56 117.759 14.573 -12.370 1.00 0.00 C ATOM 1005 O ALA E 56 117.061 14.990 -13.300 1.00 0.00 O ATOM 1006 CB ALA E 56 119.694 13.041 -12.799 1.00 0.00 C ATOM 0 H ALA E 56 117.961 11.748 -13.871 1.00 0.00 H new ATOM 0 HA ALA E 56 118.149 12.772 -11.305 1.00 0.00 H new ATOM 0 HB1 ALA E 56 120.312 13.681 -12.170 1.00 0.00 H new ATOM 0 HB2 ALA E 56 120.044 12.011 -12.724 1.00 0.00 H new ATOM 0 HB3 ALA E 56 119.764 13.373 -13.835 1.00 0.00 H new ATOM 1013 N GLY F 14 120.224 10.395 9.550 1.00 0.00 N ATOM 1014 CA GLY F 14 119.324 9.822 10.554 1.00 0.00 C ATOM 1015 C GLY F 14 119.465 8.312 10.628 1.00 0.00 C ATOM 1016 O GLY F 14 120.440 7.742 10.130 1.00 0.00 O ATOM 0 HA2 GLY F 14 119.541 10.257 11.530 1.00 0.00 H new ATOM 0 HA3 GLY F 14 118.293 10.081 10.311 1.00 0.00 H new ATOM 1020 N GLU F 15 118.480 7.674 11.258 1.00 0.00 N ATOM 1021 CA GLU F 15 118.482 6.230 11.404 1.00 0.00 C ATOM 1022 C GLU F 15 118.381 5.576 10.045 1.00 0.00 C ATOM 1023 O GLU F 15 117.679 6.068 9.162 1.00 0.00 O ATOM 1024 CB GLU F 15 117.296 5.774 12.247 1.00 0.00 C ATOM 1025 CG GLU F 15 117.493 4.305 12.647 1.00 0.00 C ATOM 1026 CD GLU F 15 116.311 3.758 13.474 1.00 0.00 C ATOM 1027 OE1 GLU F 15 115.381 4.504 13.760 1.00 0.00 O ATOM 1028 OE2 GLU F 15 116.359 2.585 13.813 1.00 0.00 O ATOM 0 H GLU F 15 117.673 8.139 11.673 1.00 0.00 H new ATOM 0 HA GLU F 15 119.411 5.941 11.895 1.00 0.00 H new ATOM 0 HB2 GLU F 15 117.207 6.397 13.137 1.00 0.00 H new ATOM 0 HB3 GLU F 15 116.370 5.889 11.684 1.00 0.00 H new ATOM 0 HG2 GLU F 15 117.616 3.700 11.749 1.00 0.00 H new ATOM 0 HG3 GLU F 15 118.413 4.208 13.224 1.00 0.00 H new ATOM 1035 N ILE F 16 119.069 4.458 9.896 1.00 0.00 N ATOM 1036 CA ILE F 16 119.055 3.712 8.651 1.00 0.00 C ATOM 1037 C ILE F 16 118.448 2.330 8.878 1.00 0.00 C ATOM 1038 O ILE F 16 118.647 1.716 9.930 1.00 0.00 O ATOM 1039 CB ILE F 16 120.472 3.584 8.112 1.00 0.00 C ATOM 1040 CG1 ILE F 16 121.051 4.979 7.805 1.00 0.00 C ATOM 1041 CG2 ILE F 16 120.453 2.735 6.833 1.00 0.00 C ATOM 1042 CD1 ILE F 16 122.531 4.861 7.414 1.00 0.00 C ATOM 0 H ILE F 16 119.648 4.045 10.627 1.00 0.00 H new ATOM 0 HA ILE F 16 118.446 4.245 7.920 1.00 0.00 H new ATOM 0 HB ILE F 16 121.100 3.102 8.861 1.00 0.00 H new ATOM 0 HG12 ILE F 16 120.489 5.445 6.995 1.00 0.00 H new ATOM 0 HG13 ILE F 16 120.947 5.624 8.677 1.00 0.00 H new ATOM 0 HG21 ILE F 16 121.467 2.641 6.444 1.00 0.00 H new ATOM 0 HG22 ILE F 16 120.058 1.745 7.060 1.00 0.00 H new ATOM 0 HG23 ILE F 16 119.821 3.216 6.087 1.00 0.00 H new ATOM 0 HD11 ILE F 16 122.931 5.852 7.199 1.00 0.00 H new ATOM 0 HD12 ILE F 16 123.090 4.415 8.236 1.00 0.00 H new ATOM 0 HD13 ILE F 16 122.624 4.232 6.529 1.00 0.00 H new ATOM 1054 N VAL F 17 117.692 1.871 7.883 1.00 0.00 N ATOM 1055 CA VAL F 17 117.014 0.579 7.942 1.00 0.00 C ATOM 1056 C VAL F 17 117.384 -0.282 6.731 1.00 0.00 C ATOM 1057 O VAL F 17 117.058 0.073 5.598 1.00 0.00 O ATOM 1058 CB VAL F 17 115.504 0.863 7.972 1.00 0.00 C ATOM 1059 CG1 VAL F 17 114.689 -0.387 7.606 1.00 0.00 C ATOM 1060 CG2 VAL F 17 115.110 1.350 9.376 1.00 0.00 C ATOM 0 H VAL F 17 117.533 2.383 7.015 1.00 0.00 H new ATOM 0 HA VAL F 17 117.317 0.024 8.830 1.00 0.00 H new ATOM 0 HB VAL F 17 115.283 1.632 7.232 1.00 0.00 H new ATOM 0 HG11 VAL F 17 113.626 -0.150 7.637 1.00 0.00 H new ATOM 0 HG12 VAL F 17 114.958 -0.716 6.602 1.00 0.00 H new ATOM 0 HG13 VAL F 17 114.904 -1.183 8.319 1.00 0.00 H new ATOM 0 HG21 VAL F 17 114.039 1.553 9.404 1.00 0.00 H new ATOM 0 HG22 VAL F 17 115.352 0.581 10.109 1.00 0.00 H new ATOM 0 HG23 VAL F 17 115.659 2.262 9.612 1.00 0.00 H new ATOM 1070 N TYR F 18 118.048 -1.420 6.989 1.00 0.00 N ATOM 1071 CA TYR F 18 118.456 -2.345 5.922 1.00 0.00 C ATOM 1072 C TYR F 18 117.434 -3.459 5.767 1.00 0.00 C ATOM 1073 O TYR F 18 116.968 -4.027 6.759 1.00 0.00 O ATOM 1074 CB TYR F 18 119.846 -2.937 6.239 1.00 0.00 C ATOM 1075 CG TYR F 18 120.927 -2.088 5.593 1.00 0.00 C ATOM 1076 CD1 TYR F 18 120.835 -0.692 5.628 1.00 0.00 C ATOM 1077 CD2 TYR F 18 122.012 -2.697 4.946 1.00 0.00 C ATOM 1078 CE1 TYR F 18 121.812 0.091 5.021 1.00 0.00 C ATOM 1079 CE2 TYR F 18 122.994 -1.908 4.338 1.00 0.00 C ATOM 1080 CZ TYR F 18 122.894 -0.513 4.374 1.00 0.00 C ATOM 1081 OH TYR F 18 123.862 0.266 3.775 1.00 0.00 O ATOM 0 H TYR F 18 118.313 -1.721 7.927 1.00 0.00 H new ATOM 0 HA TYR F 18 118.512 -1.794 4.983 1.00 0.00 H new ATOM 0 HB2 TYR F 18 119.997 -2.976 7.318 1.00 0.00 H new ATOM 0 HB3 TYR F 18 119.907 -3.961 5.872 1.00 0.00 H new ATOM 0 HD1 TYR F 18 120.002 -0.220 6.128 1.00 0.00 H new ATOM 0 HD2 TYR F 18 122.089 -3.774 4.917 1.00 0.00 H new ATOM 0 HE1 TYR F 18 121.734 1.168 5.050 1.00 0.00 H new ATOM 0 HE2 TYR F 18 123.830 -2.376 3.840 1.00 0.00 H new ATOM 0 HH TYR F 18 123.473 0.741 3.011 1.00 0.00 H new ATOM 1091 N LEU F 19 117.074 -3.740 4.508 1.00 0.00 N ATOM 1092 CA LEU F 19 116.069 -4.768 4.200 1.00 0.00 C ATOM 1093 C LEU F 19 116.626 -5.846 3.247 1.00 0.00 C ATOM 1094 O LEU F 19 116.314 -5.847 2.050 1.00 0.00 O ATOM 1095 CB LEU F 19 114.824 -4.093 3.579 1.00 0.00 C ATOM 1096 CG LEU F 19 114.426 -2.841 4.392 1.00 0.00 C ATOM 1097 CD1 LEU F 19 113.400 -2.017 3.608 1.00 0.00 C ATOM 1098 CD2 LEU F 19 113.825 -3.265 5.740 1.00 0.00 C ATOM 0 H LEU F 19 117.461 -3.272 3.688 1.00 0.00 H new ATOM 0 HA LEU F 19 115.794 -5.269 5.128 1.00 0.00 H new ATOM 0 HB2 LEU F 19 115.032 -3.813 2.546 1.00 0.00 H new ATOM 0 HB3 LEU F 19 113.993 -4.799 3.557 1.00 0.00 H new ATOM 0 HG LEU F 19 115.314 -2.235 4.569 1.00 0.00 H new ATOM 0 HD11 LEU F 19 113.123 -1.135 4.186 1.00 0.00 H new ATOM 0 HD12 LEU F 19 113.833 -1.706 2.657 1.00 0.00 H new ATOM 0 HD13 LEU F 19 112.513 -2.622 3.422 1.00 0.00 H new ATOM 0 HD21 LEU F 19 113.546 -2.378 6.309 1.00 0.00 H new ATOM 0 HD22 LEU F 19 112.941 -3.878 5.567 1.00 0.00 H new ATOM 0 HD23 LEU F 19 114.561 -3.840 6.302 1.00 0.00 H new ATOM 1110 N PRO F 20 117.429 -6.771 3.752 1.00 0.00 N ATOM 1111 CA PRO F 20 118.013 -7.874 2.931 1.00 0.00 C ATOM 1112 C PRO F 20 117.064 -9.076 2.821 1.00 0.00 C ATOM 1113 O PRO F 20 116.652 -9.454 1.722 1.00 0.00 O ATOM 1114 CB PRO F 20 119.292 -8.234 3.695 1.00 0.00 C ATOM 1115 CG PRO F 20 119.010 -7.908 5.131 1.00 0.00 C ATOM 1116 CD PRO F 20 117.877 -6.869 5.156 1.00 0.00 C ATOM 0 HA PRO F 20 118.198 -7.578 1.898 1.00 0.00 H new ATOM 0 HB2 PRO F 20 119.537 -9.289 3.574 1.00 0.00 H new ATOM 0 HB3 PRO F 20 120.144 -7.664 3.324 1.00 0.00 H new ATOM 0 HG2 PRO F 20 118.719 -8.805 5.678 1.00 0.00 H new ATOM 0 HG3 PRO F 20 119.902 -7.514 5.617 1.00 0.00 H new ATOM 0 HD2 PRO F 20 117.064 -7.185 5.810 1.00 0.00 H new ATOM 0 HD3 PRO F 20 118.230 -5.907 5.527 1.00 0.00 H new ATOM 1124 N ASN F 21 116.732 -9.668 3.973 1.00 0.00 N ATOM 1125 CA ASN F 21 115.837 -10.830 4.030 1.00 0.00 C ATOM 1126 C ASN F 21 114.455 -10.504 3.456 1.00 0.00 C ATOM 1127 O ASN F 21 113.747 -11.400 2.988 1.00 0.00 O ATOM 1128 CB ASN F 21 115.688 -11.310 5.482 1.00 0.00 C ATOM 1129 CG ASN F 21 117.038 -11.766 6.042 1.00 0.00 C ATOM 1130 OD1 ASN F 21 117.809 -12.437 5.354 1.00 0.00 O ATOM 1131 ND2 ASN F 21 117.369 -11.443 7.261 1.00 0.00 N ATOM 0 H ASN F 21 117.072 -9.360 4.884 1.00 0.00 H new ATOM 0 HA ASN F 21 116.281 -11.619 3.424 1.00 0.00 H new ATOM 0 HB2 ASN F 21 115.287 -10.505 6.097 1.00 0.00 H new ATOM 0 HB3 ASN F 21 114.973 -12.132 5.527 1.00 0.00 H new ATOM 0 HD21 ASN F 21 118.265 -11.746 7.643 1.00 0.00 H new ATOM 0 HD22 ASN F 21 116.732 -10.888 7.832 1.00 0.00 H new ATOM 1138 N LEU F 22 114.082 -9.219 3.505 1.00 0.00 N ATOM 1139 CA LEU F 22 112.785 -8.753 2.998 1.00 0.00 C ATOM 1140 C LEU F 22 112.568 -9.222 1.554 1.00 0.00 C ATOM 1141 O LEU F 22 113.536 -9.371 0.801 1.00 0.00 O ATOM 1142 CB LEU F 22 112.764 -7.217 3.053 1.00 0.00 C ATOM 1143 CG LEU F 22 111.354 -6.691 3.400 1.00 0.00 C ATOM 1144 CD1 LEU F 22 111.290 -6.294 4.893 1.00 0.00 C ATOM 1145 CD2 LEU F 22 111.045 -5.472 2.513 1.00 0.00 C ATOM 0 H LEU F 22 114.665 -8.478 3.894 1.00 0.00 H new ATOM 0 HA LEU F 22 111.986 -9.166 3.613 1.00 0.00 H new ATOM 0 HB2 LEU F 22 113.479 -6.867 3.797 1.00 0.00 H new ATOM 0 HB3 LEU F 22 113.080 -6.811 2.092 1.00 0.00 H new ATOM 0 HG LEU F 22 110.615 -7.471 3.219 1.00 0.00 H new ATOM 0 HD11 LEU F 22 110.292 -5.924 5.129 1.00 0.00 H new ATOM 0 HD12 LEU F 22 111.510 -7.165 5.511 1.00 0.00 H new ATOM 0 HD13 LEU F 22 112.023 -5.513 5.093 1.00 0.00 H new ATOM 0 HD21 LEU F 22 110.051 -5.092 2.750 1.00 0.00 H new ATOM 0 HD22 LEU F 22 111.784 -4.692 2.696 1.00 0.00 H new ATOM 0 HD23 LEU F 22 111.080 -5.767 1.464 1.00 0.00 H new ATOM 1157 N ASN F 23 111.303 -9.448 1.167 1.00 0.00 N ATOM 1158 CA ASN F 23 111.003 -9.894 -0.196 1.00 0.00 C ATOM 1159 C ASN F 23 110.813 -8.676 -1.103 1.00 0.00 C ATOM 1160 O ASN F 23 110.343 -7.632 -0.642 1.00 0.00 O ATOM 1161 CB ASN F 23 109.753 -10.790 -0.226 1.00 0.00 C ATOM 1162 CG ASN F 23 108.610 -10.172 0.577 1.00 0.00 C ATOM 1163 OD1 ASN F 23 108.723 -10.000 1.792 1.00 0.00 O ATOM 1164 ND2 ASN F 23 107.506 -9.840 -0.030 1.00 0.00 N ATOM 0 H ASN F 23 110.487 -9.331 1.768 1.00 0.00 H new ATOM 0 HA ASN F 23 111.842 -10.487 -0.560 1.00 0.00 H new ATOM 0 HB2 ASN F 23 109.436 -10.941 -1.258 1.00 0.00 H new ATOM 0 HB3 ASN F 23 109.997 -11.772 0.180 1.00 0.00 H new ATOM 0 HD21 ASN F 23 106.734 -9.437 0.501 1.00 0.00 H new ATOM 0 HD22 ASN F 23 107.414 -9.983 -1.036 1.00 0.00 H new ATOM 1171 N PRO F 24 111.184 -8.766 -2.367 1.00 0.00 N ATOM 1172 CA PRO F 24 111.057 -7.614 -3.312 1.00 0.00 C ATOM 1173 C PRO F 24 109.629 -7.088 -3.398 1.00 0.00 C ATOM 1174 O PRO F 24 109.416 -5.877 -3.507 1.00 0.00 O ATOM 1175 CB PRO F 24 111.526 -8.172 -4.663 1.00 0.00 C ATOM 1176 CG PRO F 24 112.325 -9.387 -4.337 1.00 0.00 C ATOM 1177 CD PRO F 24 111.759 -9.950 -3.036 1.00 0.00 C ATOM 0 HA PRO F 24 111.649 -6.760 -2.982 1.00 0.00 H new ATOM 0 HB2 PRO F 24 110.678 -8.420 -5.301 1.00 0.00 H new ATOM 0 HB3 PRO F 24 112.127 -7.440 -5.202 1.00 0.00 H new ATOM 0 HG2 PRO F 24 112.256 -10.122 -5.139 1.00 0.00 H new ATOM 0 HG3 PRO F 24 113.380 -9.137 -4.224 1.00 0.00 H new ATOM 0 HD2 PRO F 24 111.002 -10.711 -3.224 1.00 0.00 H new ATOM 0 HD3 PRO F 24 112.536 -10.416 -2.429 1.00 0.00 H new ATOM 1185 N ASP F 25 108.650 -7.997 -3.327 1.00 0.00 N ATOM 1186 CA ASP F 25 107.247 -7.591 -3.369 1.00 0.00 C ATOM 1187 C ASP F 25 106.968 -6.679 -2.175 1.00 0.00 C ATOM 1188 O ASP F 25 106.264 -5.672 -2.300 1.00 0.00 O ATOM 1189 CB ASP F 25 106.320 -8.818 -3.342 1.00 0.00 C ATOM 1190 CG ASP F 25 106.537 -9.682 -4.593 1.00 0.00 C ATOM 1191 OD1 ASP F 25 106.379 -9.164 -5.691 1.00 0.00 O ATOM 1192 OD2 ASP F 25 106.858 -10.850 -4.435 1.00 0.00 O ATOM 0 H ASP F 25 108.802 -9.002 -3.242 1.00 0.00 H new ATOM 0 HA ASP F 25 107.051 -7.054 -4.297 1.00 0.00 H new ATOM 0 HB2 ASP F 25 106.514 -9.408 -2.447 1.00 0.00 H new ATOM 0 HB3 ASP F 25 105.280 -8.495 -3.292 1.00 0.00 H new ATOM 1197 N GLN F 26 107.574 -7.021 -1.027 1.00 0.00 N ATOM 1198 CA GLN F 26 107.434 -6.214 0.171 1.00 0.00 C ATOM 1199 C GLN F 26 108.130 -4.867 -0.034 1.00 0.00 C ATOM 1200 O GLN F 26 107.615 -3.831 0.387 1.00 0.00 O ATOM 1201 CB GLN F 26 108.024 -6.942 1.379 1.00 0.00 C ATOM 1202 CG GLN F 26 107.721 -6.158 2.658 1.00 0.00 C ATOM 1203 CD GLN F 26 106.230 -6.237 2.991 1.00 0.00 C ATOM 1204 OE1 GLN F 26 105.696 -7.325 3.211 1.00 0.00 O ATOM 1205 NE2 GLN F 26 105.523 -5.142 3.042 1.00 0.00 N ATOM 0 H GLN F 26 108.160 -7.848 -0.914 1.00 0.00 H new ATOM 0 HA GLN F 26 106.375 -6.042 0.362 1.00 0.00 H new ATOM 0 HB2 GLN F 26 107.606 -7.946 1.450 1.00 0.00 H new ATOM 0 HB3 GLN F 26 109.101 -7.054 1.257 1.00 0.00 H new ATOM 0 HG2 GLN F 26 108.307 -6.559 3.485 1.00 0.00 H new ATOM 0 HG3 GLN F 26 108.018 -5.117 2.533 1.00 0.00 H new ATOM 0 HE21 GLN F 26 105.965 -4.241 2.860 1.00 0.00 H new ATOM 0 HE22 GLN F 26 104.528 -5.187 3.264 1.00 0.00 H new ATOM 1214 N LEU F 27 109.300 -4.891 -0.702 1.00 0.00 N ATOM 1215 CA LEU F 27 110.050 -3.657 -0.975 1.00 0.00 C ATOM 1216 C LEU F 27 109.205 -2.706 -1.817 1.00 0.00 C ATOM 1217 O LEU F 27 109.222 -1.497 -1.596 1.00 0.00 O ATOM 1218 CB LEU F 27 111.365 -3.951 -1.725 1.00 0.00 C ATOM 1219 CG LEU F 27 112.463 -4.445 -0.761 1.00 0.00 C ATOM 1220 CD1 LEU F 27 113.690 -4.895 -1.570 1.00 0.00 C ATOM 1221 CD2 LEU F 27 112.879 -3.307 0.187 1.00 0.00 C ATOM 0 H LEU F 27 109.739 -5.741 -1.057 1.00 0.00 H new ATOM 0 HA LEU F 27 110.288 -3.199 -0.015 1.00 0.00 H new ATOM 0 HB2 LEU F 27 111.187 -4.704 -2.493 1.00 0.00 H new ATOM 0 HB3 LEU F 27 111.705 -3.049 -2.235 1.00 0.00 H new ATOM 0 HG LEU F 27 112.075 -5.280 -0.178 1.00 0.00 H new ATOM 0 HD11 LEU F 27 114.466 -5.244 -0.889 1.00 0.00 H new ATOM 0 HD12 LEU F 27 113.406 -5.705 -2.242 1.00 0.00 H new ATOM 0 HD13 LEU F 27 114.069 -4.056 -2.153 1.00 0.00 H new ATOM 0 HD21 LEU F 27 113.655 -3.663 0.865 1.00 0.00 H new ATOM 0 HD22 LEU F 27 113.263 -2.470 -0.396 1.00 0.00 H new ATOM 0 HD23 LEU F 27 112.014 -2.980 0.765 1.00 0.00 H new ATOM 1233 N CYS F 28 108.465 -3.264 -2.777 1.00 0.00 N ATOM 1234 CA CYS F 28 107.605 -2.455 -3.641 1.00 0.00 C ATOM 1235 C CYS F 28 106.528 -1.774 -2.800 1.00 0.00 C ATOM 1236 O CYS F 28 106.282 -0.572 -2.941 1.00 0.00 O ATOM 1237 CB CYS F 28 106.959 -3.343 -4.713 1.00 0.00 C ATOM 1238 SG CYS F 28 106.338 -2.315 -6.068 1.00 0.00 S ATOM 0 H CYS F 28 108.444 -4.264 -2.974 1.00 0.00 H new ATOM 0 HA CYS F 28 108.205 -1.691 -4.135 1.00 0.00 H new ATOM 0 HB2 CYS F 28 107.688 -4.059 -5.092 1.00 0.00 H new ATOM 0 HB3 CYS F 28 106.142 -3.919 -4.278 1.00 0.00 H new ATOM 1243 N ALA F 29 105.912 -2.552 -1.906 1.00 0.00 N ATOM 1244 CA ALA F 29 104.881 -2.024 -1.016 1.00 0.00 C ATOM 1245 C ALA F 29 105.489 -0.978 -0.086 1.00 0.00 C ATOM 1246 O ALA F 29 104.895 0.075 0.166 1.00 0.00 O ATOM 1247 CB ALA F 29 104.288 -3.163 -0.181 1.00 0.00 C ATOM 0 H ALA F 29 106.110 -3.545 -1.781 1.00 0.00 H new ATOM 0 HA ALA F 29 104.095 -1.564 -1.614 1.00 0.00 H new ATOM 0 HB1 ALA F 29 103.519 -2.766 0.482 1.00 0.00 H new ATOM 0 HB2 ALA F 29 103.847 -3.908 -0.843 1.00 0.00 H new ATOM 0 HB3 ALA F 29 105.075 -3.627 0.413 1.00 0.00 H new ATOM 1253 N PHE F 30 106.682 -1.295 0.416 1.00 0.00 N ATOM 1254 CA PHE F 30 107.409 -0.413 1.326 1.00 0.00 C ATOM 1255 C PHE F 30 107.720 0.924 0.654 1.00 0.00 C ATOM 1256 O PHE F 30 107.378 1.979 1.187 1.00 0.00 O ATOM 1257 CB PHE F 30 108.716 -1.111 1.755 1.00 0.00 C ATOM 1258 CG PHE F 30 109.616 -0.161 2.526 1.00 0.00 C ATOM 1259 CD1 PHE F 30 109.160 0.431 3.713 1.00 0.00 C ATOM 1260 CD2 PHE F 30 110.911 0.128 2.052 1.00 0.00 C ATOM 1261 CE1 PHE F 30 109.988 1.305 4.421 1.00 0.00 C ATOM 1262 CE2 PHE F 30 111.734 1.002 2.767 1.00 0.00 C ATOM 1263 CZ PHE F 30 111.271 1.590 3.950 1.00 0.00 C ATOM 0 H PHE F 30 107.169 -2.166 0.204 1.00 0.00 H new ATOM 0 HA PHE F 30 106.792 -0.211 2.201 1.00 0.00 H new ATOM 0 HB2 PHE F 30 108.483 -1.978 2.373 1.00 0.00 H new ATOM 0 HB3 PHE F 30 109.241 -1.480 0.874 1.00 0.00 H new ATOM 0 HD1 PHE F 30 108.168 0.211 4.080 1.00 0.00 H new ATOM 0 HD2 PHE F 30 111.267 -0.325 1.138 1.00 0.00 H new ATOM 0 HE1 PHE F 30 109.635 1.761 5.334 1.00 0.00 H new ATOM 0 HE2 PHE F 30 112.728 1.224 2.407 1.00 0.00 H new ATOM 0 HZ PHE F 30 111.908 2.266 4.500 1.00 0.00 H new ATOM 1273 N ILE F 31 108.362 0.867 -0.516 1.00 0.00 N ATOM 1274 CA ILE F 31 108.721 2.080 -1.252 1.00 0.00 C ATOM 1275 C ILE F 31 107.476 2.889 -1.604 1.00 0.00 C ATOM 1276 O ILE F 31 107.495 4.124 -1.533 1.00 0.00 O ATOM 1277 CB ILE F 31 109.536 1.718 -2.507 1.00 0.00 C ATOM 1278 CG1 ILE F 31 110.866 1.089 -2.053 1.00 0.00 C ATOM 1279 CG2 ILE F 31 109.830 2.982 -3.337 1.00 0.00 C ATOM 1280 CD1 ILE F 31 111.644 0.547 -3.252 1.00 0.00 C ATOM 0 H ILE F 31 108.642 -0.002 -0.971 1.00 0.00 H new ATOM 0 HA ILE F 31 109.345 2.706 -0.615 1.00 0.00 H new ATOM 0 HB ILE F 31 108.969 1.020 -3.123 1.00 0.00 H new ATOM 0 HG12 ILE F 31 111.466 1.833 -1.530 1.00 0.00 H new ATOM 0 HG13 ILE F 31 110.670 0.283 -1.346 1.00 0.00 H new ATOM 0 HG21 ILE F 31 110.407 2.711 -4.221 1.00 0.00 H new ATOM 0 HG22 ILE F 31 108.891 3.442 -3.644 1.00 0.00 H new ATOM 0 HG23 ILE F 31 110.401 3.688 -2.734 1.00 0.00 H new ATOM 0 HD11 ILE F 31 112.580 0.107 -2.909 1.00 0.00 H new ATOM 0 HD12 ILE F 31 111.049 -0.214 -3.758 1.00 0.00 H new ATOM 0 HD13 ILE F 31 111.858 1.361 -3.945 1.00 0.00 H new ATOM 1292 N HIS F 32 106.390 2.194 -1.952 1.00 0.00 N ATOM 1293 CA HIS F 32 105.131 2.865 -2.275 1.00 0.00 C ATOM 1294 C HIS F 32 104.652 3.659 -1.055 1.00 0.00 C ATOM 1295 O HIS F 32 104.171 4.788 -1.184 1.00 0.00 O ATOM 1296 CB HIS F 32 104.070 1.830 -2.684 1.00 0.00 C ATOM 1297 CG HIS F 32 102.812 2.529 -3.137 1.00 0.00 C ATOM 1298 ND1 HIS F 32 102.756 3.255 -4.317 1.00 0.00 N ATOM 1299 CD2 HIS F 32 101.560 2.620 -2.581 1.00 0.00 C ATOM 1300 CE1 HIS F 32 101.508 3.746 -4.431 1.00 0.00 C ATOM 1301 NE2 HIS F 32 100.738 3.389 -3.400 1.00 0.00 N ATOM 0 H HIS F 32 106.358 1.177 -2.017 1.00 0.00 H new ATOM 0 HA HIS F 32 105.289 3.547 -3.110 1.00 0.00 H new ATOM 0 HB2 HIS F 32 104.455 1.201 -3.487 1.00 0.00 H new ATOM 0 HB3 HIS F 32 103.848 1.173 -1.843 1.00 0.00 H new ATOM 0 HD2 HIS F 32 101.259 2.164 -1.649 1.00 0.00 H new ATOM 0 HE1 HIS F 32 101.170 4.355 -5.256 1.00 0.00 H new ATOM 0 HE2 HIS F 32 99.759 3.628 -3.246 1.00 0.00 H new ATOM 1310 N SER F 33 104.807 3.050 0.127 1.00 0.00 N ATOM 1311 CA SER F 33 104.407 3.688 1.381 1.00 0.00 C ATOM 1312 C SER F 33 105.268 4.927 1.670 1.00 0.00 C ATOM 1313 O SER F 33 104.743 5.953 2.112 1.00 0.00 O ATOM 1314 CB SER F 33 104.513 2.687 2.538 1.00 0.00 C ATOM 1315 OG SER F 33 103.785 1.509 2.209 1.00 0.00 O ATOM 0 H SER F 33 105.206 2.118 0.238 1.00 0.00 H new ATOM 0 HA SER F 33 103.371 4.012 1.283 1.00 0.00 H new ATOM 0 HB2 SER F 33 105.558 2.442 2.727 1.00 0.00 H new ATOM 0 HB3 SER F 33 104.119 3.128 3.453 1.00 0.00 H new ATOM 0 HG SER F 33 104.274 1.002 1.527 1.00 0.00 H new ATOM 1321 N LEU F 34 106.590 4.835 1.411 1.00 0.00 N ATOM 1322 CA LEU F 34 107.500 5.972 1.641 1.00 0.00 C ATOM 1323 C LEU F 34 107.052 7.180 0.811 1.00 0.00 C ATOM 1324 O LEU F 34 107.071 8.317 1.289 1.00 0.00 O ATOM 1325 CB LEU F 34 108.955 5.615 1.249 1.00 0.00 C ATOM 1326 CG LEU F 34 109.471 4.391 2.030 1.00 0.00 C ATOM 1327 CD1 LEU F 34 110.915 4.066 1.594 1.00 0.00 C ATOM 1328 CD2 LEU F 34 109.438 4.684 3.535 1.00 0.00 C ATOM 0 H LEU F 34 107.044 3.997 1.048 1.00 0.00 H new ATOM 0 HA LEU F 34 107.466 6.211 2.704 1.00 0.00 H new ATOM 0 HB2 LEU F 34 109.004 5.412 0.179 1.00 0.00 H new ATOM 0 HB3 LEU F 34 109.604 6.469 1.441 1.00 0.00 H new ATOM 0 HG LEU F 34 108.831 3.535 1.818 1.00 0.00 H new ATOM 0 HD11 LEU F 34 111.276 3.200 2.149 1.00 0.00 H new ATOM 0 HD12 LEU F 34 110.932 3.846 0.527 1.00 0.00 H new ATOM 0 HD13 LEU F 34 111.558 4.922 1.799 1.00 0.00 H new ATOM 0 HD21 LEU F 34 109.804 3.816 4.083 1.00 0.00 H new ATOM 0 HD22 LEU F 34 110.072 5.544 3.752 1.00 0.00 H new ATOM 0 HD23 LEU F 34 108.415 4.901 3.841 1.00 0.00 H new ATOM 1340 N HIS F 35 106.656 6.909 -0.437 1.00 0.00 N ATOM 1341 CA HIS F 35 106.200 7.955 -1.357 1.00 0.00 C ATOM 1342 C HIS F 35 104.809 8.477 -0.974 1.00 0.00 C ATOM 1343 O HIS F 35 104.509 9.656 -1.181 1.00 0.00 O ATOM 1344 CB HIS F 35 106.169 7.401 -2.789 1.00 0.00 C ATOM 1345 CG HIS F 35 105.900 8.516 -3.769 1.00 0.00 C ATOM 1346 ND1 HIS F 35 104.618 8.974 -4.033 1.00 0.00 N ATOM 1347 CD2 HIS F 35 106.737 9.272 -4.552 1.00 0.00 C ATOM 1348 CE1 HIS F 35 104.720 9.962 -4.942 1.00 0.00 C ATOM 1349 NE2 HIS F 35 105.990 10.183 -5.292 1.00 0.00 N ATOM 0 H HIS F 35 106.642 5.970 -0.834 1.00 0.00 H new ATOM 0 HA HIS F 35 106.899 8.789 -1.294 1.00 0.00 H new ATOM 0 HB2 HIS F 35 107.120 6.922 -3.023 1.00 0.00 H new ATOM 0 HB3 HIS F 35 105.397 6.636 -2.875 1.00 0.00 H new ATOM 0 HD2 HIS F 35 107.812 9.174 -4.588 1.00 0.00 H new ATOM 0 HE1 HIS F 35 103.878 10.509 -5.340 1.00 0.00 H new ATOM 0 HE2 HIS F 35 106.338 10.872 -5.959 1.00 0.00 H new ATOM 1358 N ASP F 36 103.960 7.585 -0.443 1.00 0.00 N ATOM 1359 CA ASP F 36 102.589 7.949 -0.058 1.00 0.00 C ATOM 1360 C ASP F 36 102.568 9.138 0.908 1.00 0.00 C ATOM 1361 O ASP F 36 101.708 10.016 0.794 1.00 0.00 O ATOM 1362 CB ASP F 36 101.894 6.746 0.594 1.00 0.00 C ATOM 1363 CG ASP F 36 100.411 7.054 0.822 1.00 0.00 C ATOM 1364 OD1 ASP F 36 99.640 6.886 -0.109 1.00 0.00 O ATOM 1365 OD2 ASP F 36 100.070 7.457 1.923 1.00 0.00 O ATOM 0 H ASP F 36 104.198 6.608 -0.271 1.00 0.00 H new ATOM 0 HA ASP F 36 102.057 8.241 -0.964 1.00 0.00 H new ATOM 0 HB2 ASP F 36 101.997 5.868 -0.043 1.00 0.00 H new ATOM 0 HB3 ASP F 36 102.374 6.509 1.543 1.00 0.00 H new ATOM 1370 N ASP F 37 103.516 9.158 1.849 1.00 0.00 N ATOM 1371 CA ASP F 37 103.601 10.246 2.829 1.00 0.00 C ATOM 1372 C ASP F 37 105.013 10.304 3.440 1.00 0.00 C ATOM 1373 O ASP F 37 105.431 9.355 4.110 1.00 0.00 O ATOM 1374 CB ASP F 37 102.557 10.035 3.940 1.00 0.00 C ATOM 1375 CG ASP F 37 102.249 11.355 4.656 1.00 0.00 C ATOM 1376 OD1 ASP F 37 103.186 12.036 5.055 1.00 0.00 O ATOM 1377 OD2 ASP F 37 101.078 11.665 4.804 1.00 0.00 O ATOM 0 H ASP F 37 104.231 8.439 1.953 1.00 0.00 H new ATOM 0 HA ASP F 37 103.398 11.190 2.323 1.00 0.00 H new ATOM 0 HB2 ASP F 37 101.642 9.626 3.512 1.00 0.00 H new ATOM 0 HB3 ASP F 37 102.927 9.304 4.659 1.00 0.00 H new ATOM 1382 N PRO F 38 105.755 11.382 3.220 1.00 0.00 N ATOM 1383 CA PRO F 38 107.144 11.528 3.766 1.00 0.00 C ATOM 1384 C PRO F 38 107.221 11.334 5.285 1.00 0.00 C ATOM 1385 O PRO F 38 108.168 10.730 5.786 1.00 0.00 O ATOM 1386 CB PRO F 38 107.550 12.959 3.383 1.00 0.00 C ATOM 1387 CG PRO F 38 106.668 13.336 2.241 1.00 0.00 C ATOM 1388 CD PRO F 38 105.363 12.567 2.427 1.00 0.00 C ATOM 0 HA PRO F 38 107.805 10.763 3.358 1.00 0.00 H new ATOM 0 HB2 PRO F 38 107.417 13.642 4.222 1.00 0.00 H new ATOM 0 HB3 PRO F 38 108.601 13.005 3.098 1.00 0.00 H new ATOM 0 HG2 PRO F 38 106.486 14.411 2.230 1.00 0.00 H new ATOM 0 HG3 PRO F 38 107.136 13.082 1.290 1.00 0.00 H new ATOM 0 HD2 PRO F 38 104.617 13.167 2.948 1.00 0.00 H new ATOM 0 HD3 PRO F 38 104.929 12.280 1.469 1.00 0.00 H new ATOM 1396 N SER F 39 106.230 11.858 6.012 1.00 0.00 N ATOM 1397 CA SER F 39 106.221 11.742 7.475 1.00 0.00 C ATOM 1398 C SER F 39 106.125 10.279 7.921 1.00 0.00 C ATOM 1399 O SER F 39 106.725 9.891 8.928 1.00 0.00 O ATOM 1400 CB SER F 39 105.049 12.541 8.062 1.00 0.00 C ATOM 1401 OG SER F 39 103.820 11.912 7.723 1.00 0.00 O ATOM 0 H SER F 39 105.434 12.360 5.620 1.00 0.00 H new ATOM 0 HA SER F 39 107.162 12.149 7.846 1.00 0.00 H new ATOM 0 HB2 SER F 39 105.148 12.606 9.146 1.00 0.00 H new ATOM 0 HB3 SER F 39 105.064 13.561 7.678 1.00 0.00 H new ATOM 0 HG SER F 39 103.671 11.985 6.757 1.00 0.00 H new ATOM 1407 N GLN F 40 105.362 9.479 7.171 1.00 0.00 N ATOM 1408 CA GLN F 40 105.177 8.060 7.496 1.00 0.00 C ATOM 1409 C GLN F 40 106.445 7.237 7.287 1.00 0.00 C ATOM 1410 O GLN F 40 106.579 6.176 7.888 1.00 0.00 O ATOM 1411 CB GLN F 40 104.045 7.453 6.653 1.00 0.00 C ATOM 1412 CG GLN F 40 102.693 7.960 7.159 1.00 0.00 C ATOM 1413 CD GLN F 40 101.560 7.375 6.318 1.00 0.00 C ATOM 1414 OE1 GLN F 40 101.375 6.159 6.286 1.00 0.00 O ATOM 1415 NE2 GLN F 40 100.784 8.172 5.635 1.00 0.00 N ATOM 0 H GLN F 40 104.863 9.788 6.337 1.00 0.00 H new ATOM 0 HA GLN F 40 104.920 8.022 8.555 1.00 0.00 H new ATOM 0 HB2 GLN F 40 104.175 7.722 5.605 1.00 0.00 H new ATOM 0 HB3 GLN F 40 104.080 6.365 6.710 1.00 0.00 H new ATOM 0 HG2 GLN F 40 102.560 7.681 8.204 1.00 0.00 H new ATOM 0 HG3 GLN F 40 102.665 9.049 7.113 1.00 0.00 H new ATOM 0 HE21 GLN F 40 100.938 9.180 5.662 1.00 0.00 H new ATOM 0 HE22 GLN F 40 100.024 7.787 5.074 1.00 0.00 H new ATOM 1424 N SER F 41 107.351 7.698 6.413 1.00 0.00 N ATOM 1425 CA SER F 41 108.580 6.941 6.114 1.00 0.00 C ATOM 1426 C SER F 41 109.281 6.465 7.391 1.00 0.00 C ATOM 1427 O SER F 41 109.733 5.323 7.462 1.00 0.00 O ATOM 1428 CB SER F 41 109.544 7.798 5.286 1.00 0.00 C ATOM 1429 OG SER F 41 110.095 8.827 6.099 1.00 0.00 O ATOM 0 H SER F 41 107.261 8.578 5.906 1.00 0.00 H new ATOM 0 HA SER F 41 108.288 6.061 5.541 1.00 0.00 H new ATOM 0 HB2 SER F 41 110.342 7.176 4.881 1.00 0.00 H new ATOM 0 HB3 SER F 41 109.019 8.235 4.437 1.00 0.00 H new ATOM 0 HG SER F 41 109.464 9.575 6.153 1.00 0.00 H new ATOM 1435 N ALA F 42 109.346 7.340 8.389 1.00 0.00 N ATOM 1436 CA ALA F 42 109.978 7.005 9.669 1.00 0.00 C ATOM 1437 C ALA F 42 109.260 5.827 10.340 1.00 0.00 C ATOM 1438 O ALA F 42 109.901 4.849 10.735 1.00 0.00 O ATOM 1439 CB ALA F 42 109.951 8.225 10.598 1.00 0.00 C ATOM 0 H ALA F 42 108.970 8.287 8.340 1.00 0.00 H new ATOM 0 HA ALA F 42 111.011 6.716 9.477 1.00 0.00 H new ATOM 0 HB1 ALA F 42 110.422 7.970 11.547 1.00 0.00 H new ATOM 0 HB2 ALA F 42 110.494 9.048 10.133 1.00 0.00 H new ATOM 0 HB3 ALA F 42 108.918 8.525 10.774 1.00 0.00 H new ATOM 1445 N ASN F 43 107.929 5.921 10.454 1.00 0.00 N ATOM 1446 CA ASN F 43 107.140 4.845 11.065 1.00 0.00 C ATOM 1447 C ASN F 43 107.246 3.573 10.225 1.00 0.00 C ATOM 1448 O ASN F 43 107.411 2.473 10.759 1.00 0.00 O ATOM 1449 CB ASN F 43 105.670 5.265 11.179 1.00 0.00 C ATOM 1450 CG ASN F 43 105.532 6.407 12.180 1.00 0.00 C ATOM 1451 OD1 ASN F 43 105.161 7.521 11.811 1.00 0.00 O ATOM 1452 ND2 ASN F 43 105.807 6.192 13.436 1.00 0.00 N ATOM 0 H ASN F 43 107.382 6.721 10.135 1.00 0.00 H new ATOM 0 HA ASN F 43 107.534 4.650 12.062 1.00 0.00 H new ATOM 0 HB2 ASN F 43 105.295 5.577 10.204 1.00 0.00 H new ATOM 0 HB3 ASN F 43 105.064 4.416 11.496 1.00 0.00 H new ATOM 0 HD21 ASN F 43 105.715 6.948 14.115 1.00 0.00 H new ATOM 0 HD22 ASN F 43 106.114 5.268 13.740 1.00 0.00 H new ATOM 1459 N LEU F 44 107.165 3.749 8.905 1.00 0.00 N ATOM 1460 CA LEU F 44 107.266 2.636 7.962 1.00 0.00 C ATOM 1461 C LEU F 44 108.624 1.966 8.100 1.00 0.00 C ATOM 1462 O LEU F 44 108.740 0.749 7.955 1.00 0.00 O ATOM 1463 CB LEU F 44 107.087 3.147 6.529 1.00 0.00 C ATOM 1464 CG LEU F 44 105.663 3.699 6.337 1.00 0.00 C ATOM 1465 CD1 LEU F 44 105.624 4.601 5.096 1.00 0.00 C ATOM 1466 CD2 LEU F 44 104.677 2.533 6.162 1.00 0.00 C ATOM 0 H LEU F 44 107.029 4.658 8.464 1.00 0.00 H new ATOM 0 HA LEU F 44 106.482 1.911 8.183 1.00 0.00 H new ATOM 0 HB2 LEU F 44 107.819 3.927 6.319 1.00 0.00 H new ATOM 0 HB3 LEU F 44 107.270 2.339 5.821 1.00 0.00 H new ATOM 0 HG LEU F 44 105.379 4.281 7.214 1.00 0.00 H new ATOM 0 HD11 LEU F 44 104.615 4.991 4.961 1.00 0.00 H new ATOM 0 HD12 LEU F 44 106.319 5.430 5.227 1.00 0.00 H new ATOM 0 HD13 LEU F 44 105.910 4.023 4.217 1.00 0.00 H new ATOM 0 HD21 LEU F 44 103.669 2.926 6.026 1.00 0.00 H new ATOM 0 HD22 LEU F 44 104.959 1.946 5.288 1.00 0.00 H new ATOM 0 HD23 LEU F 44 104.703 1.899 7.048 1.00 0.00 H new ATOM 1478 N LEU F 45 109.644 2.777 8.398 1.00 0.00 N ATOM 1479 CA LEU F 45 111.000 2.270 8.581 1.00 0.00 C ATOM 1480 C LEU F 45 111.033 1.309 9.763 1.00 0.00 C ATOM 1481 O LEU F 45 111.710 0.286 9.715 1.00 0.00 O ATOM 1482 CB LEU F 45 111.980 3.433 8.833 1.00 0.00 C ATOM 1483 CG LEU F 45 112.967 3.554 7.664 1.00 0.00 C ATOM 1484 CD1 LEU F 45 112.245 4.116 6.426 1.00 0.00 C ATOM 1485 CD2 LEU F 45 114.124 4.496 8.046 1.00 0.00 C ATOM 0 H LEU F 45 109.553 3.786 8.517 1.00 0.00 H new ATOM 0 HA LEU F 45 111.303 1.745 7.675 1.00 0.00 H new ATOM 0 HB2 LEU F 45 111.428 4.365 8.951 1.00 0.00 H new ATOM 0 HB3 LEU F 45 112.524 3.265 9.763 1.00 0.00 H new ATOM 0 HG LEU F 45 113.365 2.565 7.438 1.00 0.00 H new ATOM 0 HD11 LEU F 45 112.951 4.199 5.600 1.00 0.00 H new ATOM 0 HD12 LEU F 45 111.433 3.446 6.143 1.00 0.00 H new ATOM 0 HD13 LEU F 45 111.839 5.101 6.657 1.00 0.00 H new ATOM 0 HD21 LEU F 45 114.819 4.576 7.210 1.00 0.00 H new ATOM 0 HD22 LEU F 45 113.727 5.483 8.283 1.00 0.00 H new ATOM 0 HD23 LEU F 45 114.646 4.097 8.916 1.00 0.00 H new ATOM 1497 N ALA F 46 110.286 1.651 10.815 1.00 0.00 N ATOM 1498 CA ALA F 46 110.227 0.813 12.006 1.00 0.00 C ATOM 1499 C ALA F 46 109.617 -0.545 11.666 1.00 0.00 C ATOM 1500 O ALA F 46 110.223 -1.580 11.929 1.00 0.00 O ATOM 1501 CB ALA F 46 109.393 1.503 13.095 1.00 0.00 C ATOM 0 H ALA F 46 109.719 2.497 10.863 1.00 0.00 H new ATOM 0 HA ALA F 46 111.240 0.661 12.377 1.00 0.00 H new ATOM 0 HB1 ALA F 46 109.355 0.869 13.981 1.00 0.00 H new ATOM 0 HB2 ALA F 46 109.850 2.459 13.352 1.00 0.00 H new ATOM 0 HB3 ALA F 46 108.381 1.672 12.726 1.00 0.00 H new ATOM 1507 N GLU F 47 108.421 -0.528 11.071 1.00 0.00 N ATOM 1508 CA GLU F 47 107.744 -1.771 10.698 1.00 0.00 C ATOM 1509 C GLU F 47 108.555 -2.549 9.674 1.00 0.00 C ATOM 1510 O GLU F 47 108.713 -3.756 9.804 1.00 0.00 O ATOM 1511 CB GLU F 47 106.375 -1.480 10.098 1.00 0.00 C ATOM 1512 CG GLU F 47 105.449 -0.872 11.155 1.00 0.00 C ATOM 1513 CD GLU F 47 104.054 -0.663 10.566 1.00 0.00 C ATOM 1514 OE1 GLU F 47 103.922 0.182 9.697 1.00 0.00 O ATOM 1515 OE2 GLU F 47 103.138 -1.354 10.989 1.00 0.00 O ATOM 0 H GLU F 47 107.907 0.322 10.840 1.00 0.00 H new ATOM 0 HA GLU F 47 107.636 -2.362 11.607 1.00 0.00 H new ATOM 0 HB2 GLU F 47 106.478 -0.794 9.257 1.00 0.00 H new ATOM 0 HB3 GLU F 47 105.939 -2.400 9.708 1.00 0.00 H new ATOM 0 HG2 GLU F 47 105.392 -1.529 12.023 1.00 0.00 H new ATOM 0 HG3 GLU F 47 105.853 0.079 11.501 1.00 0.00 H new ATOM 1522 N ALA F 48 109.070 -1.844 8.658 1.00 0.00 N ATOM 1523 CA ALA F 48 109.874 -2.469 7.600 1.00 0.00 C ATOM 1524 C ALA F 48 111.100 -3.147 8.203 1.00 0.00 C ATOM 1525 O ALA F 48 111.451 -4.274 7.842 1.00 0.00 O ATOM 1526 CB ALA F 48 110.321 -1.396 6.599 1.00 0.00 C ATOM 0 H ALA F 48 108.944 -0.838 8.547 1.00 0.00 H new ATOM 0 HA ALA F 48 109.270 -3.219 7.089 1.00 0.00 H new ATOM 0 HB1 ALA F 48 110.918 -1.858 5.813 1.00 0.00 H new ATOM 0 HB2 ALA F 48 109.444 -0.922 6.158 1.00 0.00 H new ATOM 0 HB3 ALA F 48 110.919 -0.644 7.114 1.00 0.00 H new ATOM 1532 N LYS F 49 111.719 -2.447 9.146 1.00 0.00 N ATOM 1533 CA LYS F 49 112.881 -2.957 9.844 1.00 0.00 C ATOM 1534 C LYS F 49 112.481 -4.126 10.754 1.00 0.00 C ATOM 1535 O LYS F 49 113.248 -5.080 10.913 1.00 0.00 O ATOM 1536 CB LYS F 49 113.525 -1.834 10.666 1.00 0.00 C ATOM 1537 CG LYS F 49 114.900 -2.286 11.186 1.00 0.00 C ATOM 1538 CD LYS F 49 114.998 -2.026 12.694 1.00 0.00 C ATOM 1539 CE LYS F 49 115.120 -0.522 12.968 1.00 0.00 C ATOM 1540 NZ LYS F 49 116.559 -0.128 12.974 1.00 0.00 N ATOM 0 H LYS F 49 111.428 -1.516 9.443 1.00 0.00 H new ATOM 0 HA LYS F 49 113.605 -3.320 9.115 1.00 0.00 H new ATOM 0 HB2 LYS F 49 113.635 -0.940 10.052 1.00 0.00 H new ATOM 0 HB3 LYS F 49 112.879 -1.569 11.503 1.00 0.00 H new ATOM 0 HG2 LYS F 49 115.046 -3.347 10.981 1.00 0.00 H new ATOM 0 HG3 LYS F 49 115.691 -1.748 10.663 1.00 0.00 H new ATOM 0 HD2 LYS F 49 114.116 -2.424 13.197 1.00 0.00 H new ATOM 0 HD3 LYS F 49 115.862 -2.549 13.105 1.00 0.00 H new ATOM 0 HE2 LYS F 49 114.582 0.041 12.206 1.00 0.00 H new ATOM 0 HE3 LYS F 49 114.662 -0.279 13.927 1.00 0.00 H new ATOM 0 HZ1 LYS F 49 116.646 0.863 13.276 1.00 0.00 H new ATOM 0 HZ2 LYS F 49 117.083 -0.738 13.633 1.00 0.00 H new ATOM 0 HZ3 LYS F 49 116.952 -0.234 12.017 1.00 0.00 H new ATOM 1554 N LYS F 50 111.263 -4.063 11.334 1.00 0.00 N ATOM 1555 CA LYS F 50 110.784 -5.143 12.196 1.00 0.00 C ATOM 1556 C LYS F 50 110.451 -6.335 11.330 1.00 0.00 C ATOM 1557 O LYS F 50 110.643 -7.487 11.718 1.00 0.00 O ATOM 1558 CB LYS F 50 109.531 -4.697 12.963 1.00 0.00 C ATOM 1559 CG LYS F 50 109.909 -3.670 14.044 1.00 0.00 C ATOM 1560 CD LYS F 50 108.659 -2.912 14.530 1.00 0.00 C ATOM 1561 CE LYS F 50 107.570 -3.901 14.964 1.00 0.00 C ATOM 1562 NZ LYS F 50 106.555 -3.191 15.795 1.00 0.00 N ATOM 0 H LYS F 50 110.611 -3.287 11.219 1.00 0.00 H new ATOM 0 HA LYS F 50 111.557 -5.404 12.919 1.00 0.00 H new ATOM 0 HB2 LYS F 50 108.809 -4.261 12.273 1.00 0.00 H new ATOM 0 HB3 LYS F 50 109.051 -5.560 13.423 1.00 0.00 H new ATOM 0 HG2 LYS F 50 110.384 -4.176 14.884 1.00 0.00 H new ATOM 0 HG3 LYS F 50 110.637 -2.964 13.644 1.00 0.00 H new ATOM 0 HD2 LYS F 50 108.922 -2.261 15.364 1.00 0.00 H new ATOM 0 HD3 LYS F 50 108.281 -2.272 13.733 1.00 0.00 H new ATOM 0 HE2 LYS F 50 107.094 -4.342 14.088 1.00 0.00 H new ATOM 0 HE3 LYS F 50 108.013 -4.719 15.532 1.00 0.00 H new ATOM 0 HZ1 LYS F 50 105.817 -3.862 16.089 1.00 0.00 H new ATOM 0 HZ2 LYS F 50 107.015 -2.791 16.638 1.00 0.00 H new ATOM 0 HZ3 LYS F 50 106.125 -2.425 15.238 1.00 0.00 H new ATOM 1576 N LEU F 51 109.952 -6.024 10.142 1.00 0.00 N ATOM 1577 CA LEU F 51 109.581 -7.030 9.171 1.00 0.00 C ATOM 1578 C LEU F 51 110.825 -7.782 8.728 1.00 0.00 C ATOM 1579 O LEU F 51 110.805 -9.002 8.578 1.00 0.00 O ATOM 1580 CB LEU F 51 108.922 -6.345 7.976 1.00 0.00 C ATOM 1581 CG LEU F 51 108.069 -7.344 7.203 1.00 0.00 C ATOM 1582 CD1 LEU F 51 106.892 -7.792 8.083 1.00 0.00 C ATOM 1583 CD2 LEU F 51 107.552 -6.660 5.937 1.00 0.00 C ATOM 0 H LEU F 51 109.795 -5.066 9.829 1.00 0.00 H new ATOM 0 HA LEU F 51 108.879 -7.738 9.611 1.00 0.00 H new ATOM 0 HB2 LEU F 51 108.303 -5.515 8.318 1.00 0.00 H new ATOM 0 HB3 LEU F 51 109.686 -5.924 7.322 1.00 0.00 H new ATOM 0 HG LEU F 51 108.657 -8.220 6.931 1.00 0.00 H new ATOM 0 HD11 LEU F 51 106.279 -8.507 7.534 1.00 0.00 H new ATOM 0 HD12 LEU F 51 107.274 -8.262 8.989 1.00 0.00 H new ATOM 0 HD13 LEU F 51 106.287 -6.925 8.351 1.00 0.00 H new ATOM 0 HD21 LEU F 51 106.939 -7.360 5.370 1.00 0.00 H new ATOM 0 HD22 LEU F 51 106.952 -5.792 6.211 1.00 0.00 H new ATOM 0 HD23 LEU F 51 108.396 -6.340 5.326 1.00 0.00 H new ATOM 1595 N ASN F 52 111.918 -7.031 8.561 1.00 0.00 N ATOM 1596 CA ASN F 52 113.203 -7.609 8.183 1.00 0.00 C ATOM 1597 C ASN F 52 113.606 -8.631 9.253 1.00 0.00 C ATOM 1598 O ASN F 52 114.113 -9.709 8.935 1.00 0.00 O ATOM 1599 CB ASN F 52 114.233 -6.464 8.020 1.00 0.00 C ATOM 1600 CG ASN F 52 115.620 -6.835 8.542 1.00 0.00 C ATOM 1601 OD1 ASN F 52 116.182 -7.862 8.167 1.00 0.00 O ATOM 1602 ND2 ASN F 52 116.206 -6.034 9.385 1.00 0.00 N ATOM 0 H ASN F 52 111.934 -6.018 8.683 1.00 0.00 H new ATOM 0 HA ASN F 52 113.150 -8.134 7.229 1.00 0.00 H new ATOM 0 HB2 ASN F 52 114.307 -6.195 6.966 1.00 0.00 H new ATOM 0 HB3 ASN F 52 113.875 -5.581 8.550 1.00 0.00 H new ATOM 0 HD21 ASN F 52 117.137 -6.257 9.738 1.00 0.00 H new ATOM 0 HD22 ASN F 52 115.734 -5.183 9.692 1.00 0.00 H new ATOM 1609 N ASP F 53 113.324 -8.289 10.517 1.00 0.00 N ATOM 1610 CA ASP F 53 113.604 -9.182 11.641 1.00 0.00 C ATOM 1611 C ASP F 53 112.601 -10.345 11.653 1.00 0.00 C ATOM 1612 O ASP F 53 112.943 -11.472 12.021 1.00 0.00 O ATOM 1613 CB ASP F 53 113.517 -8.411 12.962 1.00 0.00 C ATOM 1614 CG ASP F 53 113.947 -9.308 14.124 1.00 0.00 C ATOM 1615 OD1 ASP F 53 115.142 -9.405 14.362 1.00 0.00 O ATOM 1616 OD2 ASP F 53 113.079 -9.886 14.759 1.00 0.00 O ATOM 0 H ASP F 53 112.902 -7.399 10.783 1.00 0.00 H new ATOM 0 HA ASP F 53 114.612 -9.581 11.527 1.00 0.00 H new ATOM 0 HB2 ASP F 53 114.154 -7.528 12.919 1.00 0.00 H new ATOM 0 HB3 ASP F 53 112.497 -8.061 13.121 1.00 0.00 H new ATOM 1621 N ALA F 54 111.357 -10.045 11.256 1.00 0.00 N ATOM 1622 CA ALA F 54 110.283 -11.042 11.222 1.00 0.00 C ATOM 1623 C ALA F 54 110.501 -12.077 10.113 1.00 0.00 C ATOM 1624 O ALA F 54 110.168 -13.252 10.286 1.00 0.00 O ATOM 1625 CB ALA F 54 108.936 -10.341 11.006 1.00 0.00 C ATOM 0 H ALA F 54 111.070 -9.114 10.953 1.00 0.00 H new ATOM 0 HA ALA F 54 110.287 -11.567 12.177 1.00 0.00 H new ATOM 0 HB1 ALA F 54 108.139 -11.084 10.981 1.00 0.00 H new ATOM 0 HB2 ALA F 54 108.755 -9.642 11.822 1.00 0.00 H new ATOM 0 HB3 ALA F 54 108.956 -9.798 10.061 1.00 0.00 H new ATOM 1631 N GLN F 55 111.058 -11.629 8.980 1.00 0.00 N ATOM 1632 CA GLN F 55 111.315 -12.518 7.839 1.00 0.00 C ATOM 1633 C GLN F 55 112.740 -13.064 7.890 1.00 0.00 C ATOM 1634 O GLN F 55 113.108 -13.943 7.108 1.00 0.00 O ATOM 1635 CB GLN F 55 111.100 -11.772 6.514 1.00 0.00 C ATOM 1636 CG GLN F 55 109.637 -11.324 6.408 1.00 0.00 C ATOM 1637 CD GLN F 55 109.327 -10.866 4.984 1.00 0.00 C ATOM 1638 OE1 GLN F 55 109.036 -11.691 4.118 1.00 0.00 O ATOM 1639 NE2 GLN F 55 109.371 -9.598 4.683 1.00 0.00 N ATOM 0 H GLN F 55 111.338 -10.660 8.829 1.00 0.00 H new ATOM 0 HA GLN F 55 110.613 -13.350 7.899 1.00 0.00 H new ATOM 0 HB2 GLN F 55 111.761 -10.907 6.461 1.00 0.00 H new ATOM 0 HB3 GLN F 55 111.354 -12.419 5.675 1.00 0.00 H new ATOM 0 HG2 GLN F 55 108.977 -12.146 6.685 1.00 0.00 H new ATOM 0 HG3 GLN F 55 109.446 -10.511 7.109 1.00 0.00 H new ATOM 0 HE21 GLN F 55 109.612 -8.912 5.398 1.00 0.00 H new ATOM 0 HE22 GLN F 55 109.165 -9.292 3.732 1.00 0.00 H new ATOM 1648 N ALA F 56 113.526 -12.521 8.813 1.00 0.00 N ATOM 1649 CA ALA F 56 114.911 -12.917 8.988 1.00 0.00 C ATOM 1650 C ALA F 56 115.031 -14.397 9.353 1.00 0.00 C ATOM 1651 O ALA F 56 114.043 -15.043 9.714 1.00 0.00 O ATOM 1652 CB ALA F 56 115.549 -12.063 10.091 1.00 0.00 C ATOM 0 H ALA F 56 113.217 -11.794 9.459 1.00 0.00 H new ATOM 0 HA ALA F 56 115.431 -12.761 8.043 1.00 0.00 H new ATOM 0 HB1 ALA F 56 116.590 -12.359 10.224 1.00 0.00 H new ATOM 0 HB2 ALA F 56 115.504 -11.011 9.809 1.00 0.00 H new ATOM 0 HB3 ALA F 56 115.007 -12.211 11.025 1.00 0.00 H new