USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=11 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= -0.196 K(o=-1.5,f=-0.23) USER MOD Set 1.2: F 55 GLN : amide:sc= -1.32 K(o=-1.5,f=-0.23) USER MOD Set 2.1: E 23 ASN : amide:sc= -2.01 K(o=-7.4,f=-0.5) USER MOD Set 2.2: E 55 GLN : amide:sc= -5.39! K(o=-7.4!,f=-0.5) USER MOD Single : C 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 35 MET CE :methyl -158:sc= -0.145 (180deg=-1.41) USER MOD Single : E 18 TYR OH : rot 144:sc= 1.14 USER MOD Single : E 21 ASN : amide:sc= -1.74! X(o=-1.7!,f=-2.1) USER MOD Single : E 26 GLN : amide:sc= -0.273 X(o=-0.27,f=-0.23) USER MOD Single : E 32 HIS : no HE2:sc= 0.646 K(o=1.3,f=-4.6!) USER MOD Single : E 33 SER OG : rot 180:sc= 0 USER MOD Single : E 35 HIS : no HD1:sc= -1.58 X(o=-1.6,f=-1.4) USER MOD Single : E 39 SER OG : rot 180:sc= 0 USER MOD Single : E 40 GLN : amide:sc=-0.00175 X(o=-0.0018,f=0) USER MOD Single : E 41 SER OG : rot -92:sc= 0.959 USER MOD Single : E 43 ASN : amide:sc= -0.0176 X(o=-0.018,f=0) USER MOD Single : E 49 LYS NZ :NH3+ 158:sc= -4.78 (180deg=-6.55!) USER MOD Single : E 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : E 52 ASN : amide:sc= -0.0159 K(o=-0.016,f=-0.91) USER MOD Single : F 18 TYR OH : rot -74:sc= 0.124 USER MOD Single : F 21 ASN : amide:sc= -0.545 K(o=-0.54,f=-1.1) USER MOD Single : F 26 GLN : amide:sc= -1.09 K(o=-1.1,f=-0.33) USER MOD Single : F 32 HIS : no HD1:sc= -0.566 K(o=-0.57,f=-1.7!) USER MOD Single : F 33 SER OG : rot -59:sc= -0.693! USER MOD Single : F 35 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : F 39 SER OG : rot 180:sc= 0 USER MOD Single : F 40 GLN : amide:sc= -0.0904 K(o=-0.09,f=-1.1) USER MOD Single : F 41 SER OG : rot -67:sc= 0.826 USER MOD Single : F 43 ASN : amide:sc=-0.00365 X(o=-0.0037,f=0) USER MOD Single : F 49 LYS NZ :NH3+ 180:sc= 1.21 (180deg=1.21) USER MOD Single : F 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : F 52 ASN : amide:sc= 0.965 K(o=0.96,f=-0.77) USER MOD ----------------------------------------------------------------- ATOM 23 N LEU C 17 123.383 -7.909 -2.645 1.00 0.00 N ATOM 24 CA LEU C 17 122.780 -6.581 -2.746 1.00 0.00 C ATOM 25 C LEU C 17 121.755 -6.420 -1.632 1.00 0.00 C ATOM 26 O LEU C 17 121.117 -7.397 -1.226 1.00 0.00 O ATOM 27 CB LEU C 17 122.111 -6.380 -4.116 1.00 0.00 C ATOM 28 CG LEU C 17 122.958 -5.421 -4.983 1.00 0.00 C ATOM 29 CD1 LEU C 17 123.825 -6.224 -5.966 1.00 0.00 C ATOM 30 CD2 LEU C 17 122.031 -4.465 -5.745 1.00 0.00 C ATOM 0 HA LEU C 17 123.561 -5.827 -2.645 1.00 0.00 H new ATOM 0 HB2 LEU C 17 122.002 -7.340 -4.621 1.00 0.00 H new ATOM 0 HB3 LEU C 17 121.108 -5.974 -3.984 1.00 0.00 H new ATOM 0 HG LEU C 17 123.617 -4.839 -4.339 1.00 0.00 H new ATOM 0 HD11 LEU C 17 124.418 -5.539 -6.572 1.00 0.00 H new ATOM 0 HD12 LEU C 17 124.490 -6.884 -5.409 1.00 0.00 H new ATOM 0 HD13 LEU C 17 123.183 -6.819 -6.615 1.00 0.00 H new ATOM 0 HD21 LEU C 17 122.629 -3.789 -6.356 1.00 0.00 H new ATOM 0 HD22 LEU C 17 121.363 -5.040 -6.387 1.00 0.00 H new ATOM 0 HD23 LEU C 17 121.441 -3.886 -5.034 1.00 0.00 H new ATOM 42 N VAL C 18 121.617 -5.195 -1.127 1.00 0.00 N ATOM 43 CA VAL C 18 120.677 -4.926 -0.034 1.00 0.00 C ATOM 44 C VAL C 18 119.968 -3.598 -0.248 1.00 0.00 C ATOM 45 O VAL C 18 120.614 -2.609 -0.570 1.00 0.00 O ATOM 46 CB VAL C 18 121.432 -4.883 1.309 1.00 0.00 C ATOM 47 CG1 VAL C 18 120.419 -4.836 2.470 1.00 0.00 C ATOM 48 CG2 VAL C 18 122.334 -6.128 1.448 1.00 0.00 C ATOM 0 H VAL C 18 122.137 -4.379 -1.451 1.00 0.00 H new ATOM 0 HA VAL C 18 119.937 -5.726 -0.018 1.00 0.00 H new ATOM 0 HB VAL C 18 122.057 -3.990 1.340 1.00 0.00 H new ATOM 0 HG11 VAL C 18 120.954 -4.806 3.419 1.00 0.00 H new ATOM 0 HG12 VAL C 18 119.798 -3.945 2.375 1.00 0.00 H new ATOM 0 HG13 VAL C 18 119.787 -5.724 2.438 1.00 0.00 H new ATOM 0 HG21 VAL C 18 122.864 -6.089 2.400 1.00 0.00 H new ATOM 0 HG22 VAL C 18 121.720 -7.028 1.411 1.00 0.00 H new ATOM 0 HG23 VAL C 18 123.056 -6.147 0.632 1.00 0.00 H new ATOM 58 N PHE C 19 118.650 -3.579 -0.029 1.00 0.00 N ATOM 59 CA PHE C 19 117.865 -2.357 -0.161 1.00 0.00 C ATOM 60 C PHE C 19 117.623 -1.789 1.222 1.00 0.00 C ATOM 61 O PHE C 19 117.153 -2.494 2.115 1.00 0.00 O ATOM 62 CB PHE C 19 116.511 -2.636 -0.844 1.00 0.00 C ATOM 63 CG PHE C 19 116.521 -2.063 -2.244 1.00 0.00 C ATOM 64 CD1 PHE C 19 117.384 -2.612 -3.200 1.00 0.00 C ATOM 65 CD2 PHE C 19 115.684 -0.980 -2.587 1.00 0.00 C ATOM 66 CE1 PHE C 19 117.418 -2.094 -4.494 1.00 0.00 C ATOM 67 CE2 PHE C 19 115.725 -0.465 -3.891 1.00 0.00 C ATOM 68 CZ PHE C 19 116.592 -1.023 -4.842 1.00 0.00 C ATOM 0 H PHE C 19 118.107 -4.399 0.241 1.00 0.00 H new ATOM 0 HA PHE C 19 118.416 -1.648 -0.779 1.00 0.00 H new ATOM 0 HB2 PHE C 19 116.325 -3.709 -0.881 1.00 0.00 H new ATOM 0 HB3 PHE C 19 115.702 -2.192 -0.264 1.00 0.00 H new ATOM 0 HD1 PHE C 19 118.025 -3.439 -2.934 1.00 0.00 H new ATOM 0 HD2 PHE C 19 115.018 -0.552 -1.852 1.00 0.00 H new ATOM 0 HE1 PHE C 19 118.084 -2.522 -5.229 1.00 0.00 H new ATOM 0 HE2 PHE C 19 115.088 0.363 -4.163 1.00 0.00 H new ATOM 0 HZ PHE C 19 116.621 -0.624 -5.845 1.00 0.00 H new ATOM 78 N PHE C 20 117.959 -0.520 1.391 1.00 0.00 N ATOM 79 CA PHE C 20 117.788 0.145 2.683 1.00 0.00 C ATOM 80 C PHE C 20 117.251 1.563 2.515 1.00 0.00 C ATOM 81 O PHE C 20 117.426 2.187 1.464 1.00 0.00 O ATOM 82 CB PHE C 20 119.126 0.180 3.427 1.00 0.00 C ATOM 83 CG PHE C 20 120.107 1.041 2.683 1.00 0.00 C ATOM 84 CD1 PHE C 20 120.112 2.423 2.888 1.00 0.00 C ATOM 85 CD2 PHE C 20 120.999 0.459 1.783 1.00 0.00 C ATOM 86 CE1 PHE C 20 121.011 3.224 2.191 1.00 0.00 C ATOM 87 CE2 PHE C 20 121.896 1.257 1.087 1.00 0.00 C ATOM 88 CZ PHE C 20 121.904 2.645 1.289 1.00 0.00 C ATOM 0 H PHE C 20 118.350 0.071 0.658 1.00 0.00 H new ATOM 0 HA PHE C 20 117.060 -0.423 3.262 1.00 0.00 H new ATOM 0 HB2 PHE C 20 118.981 0.568 4.435 1.00 0.00 H new ATOM 0 HB3 PHE C 20 119.521 -0.831 3.529 1.00 0.00 H new ATOM 0 HD1 PHE C 20 119.419 2.869 3.586 1.00 0.00 H new ATOM 0 HD2 PHE C 20 120.992 -0.610 1.628 1.00 0.00 H new ATOM 0 HE1 PHE C 20 121.018 4.293 2.348 1.00 0.00 H new ATOM 0 HE2 PHE C 20 122.588 0.809 0.389 1.00 0.00 H new ATOM 0 HZ PHE C 20 122.602 3.266 0.746 1.00 0.00 H new ATOM 98 N ALA C 21 116.617 2.066 3.574 1.00 0.00 N ATOM 99 CA ALA C 21 116.072 3.414 3.576 1.00 0.00 C ATOM 100 C ALA C 21 116.686 4.201 4.727 1.00 0.00 C ATOM 101 O ALA C 21 116.751 3.701 5.853 1.00 0.00 O ATOM 102 CB ALA C 21 114.555 3.346 3.733 1.00 0.00 C ATOM 0 H ALA C 21 116.470 1.553 4.443 1.00 0.00 H new ATOM 0 HA ALA C 21 116.309 3.913 2.636 1.00 0.00 H new ATOM 0 HB1 ALA C 21 114.144 4.355 3.735 1.00 0.00 H new ATOM 0 HB2 ALA C 21 114.128 2.782 2.904 1.00 0.00 H new ATOM 0 HB3 ALA C 21 114.308 2.852 4.673 1.00 0.00 H new ATOM 108 N GLU C 22 117.140 5.425 4.439 1.00 0.00 N ATOM 109 CA GLU C 22 117.753 6.276 5.472 1.00 0.00 C ATOM 110 C GLU C 22 116.834 7.437 5.825 1.00 0.00 C ATOM 111 O GLU C 22 116.292 8.084 4.939 1.00 0.00 O ATOM 112 CB GLU C 22 119.118 6.823 5.011 1.00 0.00 C ATOM 113 CG GLU C 22 119.073 7.274 3.549 1.00 0.00 C ATOM 114 CD GLU C 22 120.329 8.088 3.218 1.00 0.00 C ATOM 115 OE1 GLU C 22 121.401 7.507 3.205 1.00 0.00 O ATOM 116 OE2 GLU C 22 120.200 9.280 2.995 1.00 0.00 O ATOM 0 H GLU C 22 117.097 5.848 3.512 1.00 0.00 H new ATOM 0 HA GLU C 22 117.907 5.656 6.355 1.00 0.00 H new ATOM 0 HB2 GLU C 22 119.408 7.662 5.644 1.00 0.00 H new ATOM 0 HB3 GLU C 22 119.880 6.053 5.133 1.00 0.00 H new ATOM 0 HG2 GLU C 22 119.008 6.406 2.893 1.00 0.00 H new ATOM 0 HG3 GLU C 22 118.181 7.875 3.372 1.00 0.00 H new ATOM 123 N ASP C 23 116.686 7.697 7.127 1.00 0.00 N ATOM 124 CA ASP C 23 115.845 8.790 7.606 1.00 0.00 C ATOM 125 C ASP C 23 116.576 10.111 7.401 1.00 0.00 C ATOM 126 O ASP C 23 117.640 10.341 7.981 1.00 0.00 O ATOM 127 CB ASP C 23 115.515 8.592 9.093 1.00 0.00 C ATOM 128 CG ASP C 23 114.549 9.677 9.569 1.00 0.00 C ATOM 129 OD1 ASP C 23 113.356 9.509 9.373 1.00 0.00 O ATOM 130 OD2 ASP C 23 115.015 10.662 10.120 1.00 0.00 O ATOM 0 H ASP C 23 117.140 7.162 7.867 1.00 0.00 H new ATOM 0 HA ASP C 23 114.911 8.802 7.045 1.00 0.00 H new ATOM 0 HB2 ASP C 23 115.072 7.608 9.247 1.00 0.00 H new ATOM 0 HB3 ASP C 23 116.430 8.625 9.684 1.00 0.00 H new ATOM 135 N VAL C 24 116.013 10.950 6.537 1.00 0.00 N ATOM 136 CA VAL C 24 116.621 12.247 6.201 1.00 0.00 C ATOM 137 C VAL C 24 115.672 13.414 6.465 1.00 0.00 C ATOM 138 O VAL C 24 116.088 14.575 6.406 1.00 0.00 O ATOM 139 CB VAL C 24 117.041 12.224 4.717 1.00 0.00 C ATOM 140 CG1 VAL C 24 117.940 11.002 4.488 1.00 0.00 C ATOM 141 CG2 VAL C 24 115.791 12.152 3.806 1.00 0.00 C ATOM 0 H VAL C 24 115.136 10.761 6.053 1.00 0.00 H new ATOM 0 HA VAL C 24 117.491 12.398 6.841 1.00 0.00 H new ATOM 0 HB VAL C 24 117.585 13.136 4.470 1.00 0.00 H new ATOM 0 HG11 VAL C 24 118.248 10.968 3.443 1.00 0.00 H new ATOM 0 HG12 VAL C 24 118.822 11.075 5.124 1.00 0.00 H new ATOM 0 HG13 VAL C 24 117.389 10.094 4.734 1.00 0.00 H new ATOM 0 HG21 VAL C 24 116.102 12.136 2.762 1.00 0.00 H new ATOM 0 HG22 VAL C 24 115.229 11.246 4.031 1.00 0.00 H new ATOM 0 HG23 VAL C 24 115.161 13.023 3.984 1.00 0.00 H new ATOM 183 N LYS C 28 111.372 14.822 2.716 1.00 0.00 N ATOM 184 CA LYS C 28 111.688 13.722 1.808 1.00 0.00 C ATOM 185 C LYS C 28 111.480 12.382 2.510 1.00 0.00 C ATOM 186 O LYS C 28 111.588 11.325 1.883 1.00 0.00 O ATOM 187 CB LYS C 28 113.149 13.822 1.358 1.00 0.00 C ATOM 188 CG LYS C 28 113.370 15.106 0.546 1.00 0.00 C ATOM 189 CD LYS C 28 114.674 15.002 -0.259 1.00 0.00 C ATOM 190 CE LYS C 28 115.882 14.968 0.686 1.00 0.00 C ATOM 191 NZ LYS C 28 117.137 15.075 -0.112 1.00 0.00 N ATOM 0 HA LYS C 28 111.028 13.787 0.943 1.00 0.00 H new ATOM 0 HB2 LYS C 28 113.806 13.816 2.228 1.00 0.00 H new ATOM 0 HB3 LYS C 28 113.411 12.953 0.755 1.00 0.00 H new ATOM 0 HG2 LYS C 28 112.529 15.269 -0.128 1.00 0.00 H new ATOM 0 HG3 LYS C 28 113.414 15.966 1.215 1.00 0.00 H new ATOM 0 HD2 LYS C 28 114.659 14.102 -0.874 1.00 0.00 H new ATOM 0 HD3 LYS C 28 114.759 15.850 -0.938 1.00 0.00 H new ATOM 0 HE2 LYS C 28 115.822 15.788 1.401 1.00 0.00 H new ATOM 0 HE3 LYS C 28 115.882 14.042 1.262 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 117.957 15.052 0.527 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 117.194 14.278 -0.778 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 117.136 15.970 -0.642 1.00 0.00 H new ATOM 205 N GLY C 29 111.210 12.436 3.820 1.00 0.00 N ATOM 206 CA GLY C 29 111.022 11.223 4.608 1.00 0.00 C ATOM 207 C GLY C 29 112.340 10.466 4.673 1.00 0.00 C ATOM 208 O GLY C 29 113.228 10.822 5.457 1.00 0.00 O ATOM 0 H GLY C 29 111.118 13.303 4.349 1.00 0.00 H new ATOM 0 HA2 GLY C 29 110.683 11.475 5.613 1.00 0.00 H new ATOM 0 HA3 GLY C 29 110.250 10.598 4.159 1.00 0.00 H new ATOM 212 N ALA C 30 112.471 9.441 3.825 1.00 0.00 N ATOM 213 CA ALA C 30 113.697 8.650 3.754 1.00 0.00 C ATOM 214 C ALA C 30 114.165 8.522 2.301 1.00 0.00 C ATOM 215 O ALA C 30 113.404 8.804 1.369 1.00 0.00 O ATOM 216 CB ALA C 30 113.474 7.266 4.359 1.00 0.00 C ATOM 0 H ALA C 30 111.741 9.142 3.179 1.00 0.00 H new ATOM 0 HA ALA C 30 114.471 9.161 4.327 1.00 0.00 H new ATOM 0 HB1 ALA C 30 114.397 6.689 4.298 1.00 0.00 H new ATOM 0 HB2 ALA C 30 113.178 7.369 5.403 1.00 0.00 H new ATOM 0 HB3 ALA C 30 112.687 6.751 3.808 1.00 0.00 H new ATOM 222 N ILE C 31 115.424 8.101 2.122 1.00 0.00 N ATOM 223 CA ILE C 31 116.006 7.941 0.782 1.00 0.00 C ATOM 224 C ILE C 31 116.250 6.472 0.493 1.00 0.00 C ATOM 225 O ILE C 31 116.884 5.782 1.295 1.00 0.00 O ATOM 226 CB ILE C 31 117.364 8.668 0.673 1.00 0.00 C ATOM 227 CG1 ILE C 31 117.277 10.076 1.276 1.00 0.00 C ATOM 228 CG2 ILE C 31 117.771 8.788 -0.796 1.00 0.00 C ATOM 229 CD1 ILE C 31 118.506 10.909 0.864 1.00 0.00 C ATOM 0 H ILE C 31 116.058 7.866 2.886 1.00 0.00 H new ATOM 0 HA ILE C 31 115.300 8.367 0.069 1.00 0.00 H new ATOM 0 HB ILE C 31 118.105 8.087 1.223 1.00 0.00 H new ATOM 0 HG12 ILE C 31 116.365 10.568 0.938 1.00 0.00 H new ATOM 0 HG13 ILE C 31 117.220 10.011 2.363 1.00 0.00 H new ATOM 0 HG21 ILE C 31 118.730 9.302 -0.867 1.00 0.00 H new ATOM 0 HG22 ILE C 31 117.859 7.793 -1.232 1.00 0.00 H new ATOM 0 HG23 ILE C 31 117.014 9.355 -1.338 1.00 0.00 H new ATOM 0 HD11 ILE C 31 118.432 11.906 1.298 1.00 0.00 H new ATOM 0 HD12 ILE C 31 119.413 10.423 1.224 1.00 0.00 H new ATOM 0 HD13 ILE C 31 118.544 10.989 -0.222 1.00 0.00 H new ATOM 241 N ILE C 32 115.787 6.007 -0.669 1.00 0.00 N ATOM 242 CA ILE C 32 116.007 4.624 -1.058 1.00 0.00 C ATOM 243 C ILE C 32 117.401 4.492 -1.641 1.00 0.00 C ATOM 244 O ILE C 32 117.719 5.092 -2.672 1.00 0.00 O ATOM 245 CB ILE C 32 114.947 4.140 -2.081 1.00 0.00 C ATOM 246 CG1 ILE C 32 113.750 3.530 -1.334 1.00 0.00 C ATOM 247 CG2 ILE C 32 115.537 3.079 -3.034 1.00 0.00 C ATOM 248 CD1 ILE C 32 114.176 2.252 -0.582 1.00 0.00 C ATOM 0 H ILE C 32 115.265 6.564 -1.345 1.00 0.00 H new ATOM 0 HA ILE C 32 115.911 3.995 -0.173 1.00 0.00 H new ATOM 0 HB ILE C 32 114.627 5.000 -2.669 1.00 0.00 H new ATOM 0 HG12 ILE C 32 113.346 4.256 -0.629 1.00 0.00 H new ATOM 0 HG13 ILE C 32 112.954 3.295 -2.041 1.00 0.00 H new ATOM 0 HG21 ILE C 32 114.771 2.758 -3.740 1.00 0.00 H new ATOM 0 HG22 ILE C 32 116.377 3.508 -3.580 1.00 0.00 H new ATOM 0 HG23 ILE C 32 115.880 2.221 -2.456 1.00 0.00 H new ATOM 0 HD11 ILE C 32 113.316 1.834 -0.059 1.00 0.00 H new ATOM 0 HD12 ILE C 32 114.558 1.521 -1.294 1.00 0.00 H new ATOM 0 HD13 ILE C 32 114.955 2.497 0.139 1.00 0.00 H new ATOM 260 N GLY C 33 118.201 3.672 -0.982 1.00 0.00 N ATOM 261 CA GLY C 33 119.554 3.397 -1.414 1.00 0.00 C ATOM 262 C GLY C 33 119.829 1.924 -1.227 1.00 0.00 C ATOM 263 O GLY C 33 119.263 1.294 -0.330 1.00 0.00 O ATOM 0 H GLY C 33 117.928 3.179 -0.132 1.00 0.00 H new ATOM 0 HA2 GLY C 33 119.681 3.676 -2.460 1.00 0.00 H new ATOM 0 HA3 GLY C 33 120.263 3.991 -0.837 1.00 0.00 H new ATOM 267 N LEU C 34 120.687 1.375 -2.072 1.00 0.00 N ATOM 268 CA LEU C 34 121.025 -0.043 -1.980 1.00 0.00 C ATOM 269 C LEU C 34 122.521 -0.228 -1.918 1.00 0.00 C ATOM 270 O LEU C 34 123.287 0.571 -2.452 1.00 0.00 O ATOM 271 CB LEU C 34 120.468 -0.837 -3.166 1.00 0.00 C ATOM 272 CG LEU C 34 120.747 -0.087 -4.467 1.00 0.00 C ATOM 273 CD1 LEU C 34 121.216 -1.094 -5.523 1.00 0.00 C ATOM 274 CD2 LEU C 34 119.472 0.648 -4.922 1.00 0.00 C ATOM 0 H LEU C 34 121.159 1.880 -2.822 1.00 0.00 H new ATOM 0 HA LEU C 34 120.569 -0.422 -1.065 1.00 0.00 H new ATOM 0 HB2 LEU C 34 120.925 -1.826 -3.200 1.00 0.00 H new ATOM 0 HB3 LEU C 34 119.395 -0.986 -3.044 1.00 0.00 H new ATOM 0 HG LEU C 34 121.529 0.658 -4.320 1.00 0.00 H new ATOM 0 HD11 LEU C 34 121.419 -0.572 -6.458 1.00 0.00 H new ATOM 0 HD12 LEU C 34 122.125 -1.587 -5.178 1.00 0.00 H new ATOM 0 HD13 LEU C 34 120.438 -1.840 -5.685 1.00 0.00 H new ATOM 0 HD21 LEU C 34 119.672 1.183 -5.850 1.00 0.00 H new ATOM 0 HD22 LEU C 34 118.673 -0.076 -5.085 1.00 0.00 H new ATOM 0 HD23 LEU C 34 119.167 1.358 -4.153 1.00 0.00 H new ATOM 286 N MET C 35 122.911 -1.308 -1.270 1.00 0.00 N ATOM 287 CA MET C 35 124.325 -1.654 -1.127 1.00 0.00 C ATOM 288 C MET C 35 124.687 -2.692 -2.185 1.00 0.00 C ATOM 289 O MET C 35 123.850 -3.519 -2.541 1.00 0.00 O ATOM 290 CB MET C 35 124.603 -2.152 0.312 1.00 0.00 C ATOM 291 CG MET C 35 124.739 -3.680 0.370 1.00 0.00 C ATOM 292 SD MET C 35 124.671 -4.233 2.090 1.00 0.00 S ATOM 293 CE MET C 35 126.076 -3.272 2.685 1.00 0.00 C ATOM 0 H MET C 35 122.270 -1.968 -0.830 1.00 0.00 H new ATOM 0 HA MET C 35 124.954 -0.778 -1.285 1.00 0.00 H new ATOM 0 HB2 MET C 35 125.517 -1.691 0.686 1.00 0.00 H new ATOM 0 HB3 MET C 35 123.794 -1.834 0.969 1.00 0.00 H new ATOM 0 HG2 MET C 35 123.940 -4.148 -0.204 1.00 0.00 H new ATOM 0 HG3 MET C 35 125.681 -3.988 -0.084 1.00 0.00 H new ATOM 0 HE1 MET C 35 126.468 -3.726 3.595 1.00 0.00 H new ATOM 0 HE2 MET C 35 126.855 -3.256 1.923 1.00 0.00 H new ATOM 0 HE3 MET C 35 125.755 -2.252 2.898 1.00 0.00 H new ATOM 303 N VAL C 36 125.918 -2.620 -2.701 1.00 0.00 N ATOM 304 CA VAL C 36 126.366 -3.539 -3.749 1.00 0.00 C ATOM 305 C VAL C 36 127.644 -4.272 -3.338 1.00 0.00 C ATOM 306 O VAL C 36 128.691 -3.642 -3.161 1.00 0.00 O ATOM 307 CB VAL C 36 126.649 -2.745 -5.041 1.00 0.00 C ATOM 308 CG1 VAL C 36 126.923 -3.713 -6.197 1.00 0.00 C ATOM 309 CG2 VAL C 36 125.457 -1.841 -5.399 1.00 0.00 C ATOM 0 H VAL C 36 126.618 -1.938 -2.411 1.00 0.00 H new ATOM 0 HA VAL C 36 125.577 -4.273 -3.912 1.00 0.00 H new ATOM 0 HB VAL C 36 127.524 -2.118 -4.873 1.00 0.00 H new ATOM 0 HG11 VAL C 36 127.122 -3.146 -7.107 1.00 0.00 H new ATOM 0 HG12 VAL C 36 127.789 -4.330 -5.957 1.00 0.00 H new ATOM 0 HG13 VAL C 36 126.053 -4.352 -6.351 1.00 0.00 H new ATOM 0 HG21 VAL C 36 125.679 -1.291 -6.313 1.00 0.00 H new ATOM 0 HG22 VAL C 36 124.568 -2.454 -5.551 1.00 0.00 H new ATOM 0 HG23 VAL C 36 125.277 -1.137 -4.587 1.00 0.00 H new ATOM 319 N GLY C 37 127.556 -5.606 -3.234 1.00 0.00 N ATOM 320 CA GLY C 37 128.704 -6.438 -2.898 1.00 0.00 C ATOM 321 C GLY C 37 129.229 -6.210 -1.487 1.00 0.00 C ATOM 322 O GLY C 37 129.376 -5.074 -1.036 1.00 0.00 O ATOM 0 H GLY C 37 126.692 -6.128 -3.380 1.00 0.00 H new ATOM 0 HA2 GLY C 37 128.427 -7.486 -3.009 1.00 0.00 H new ATOM 0 HA3 GLY C 37 129.505 -6.243 -3.611 1.00 0.00 H new ATOM 367 N GLY E 14 131.843 -2.208 0.450 1.00 0.00 N ATOM 368 CA GLY E 14 130.885 -2.348 -0.648 1.00 0.00 C ATOM 369 C GLY E 14 130.533 -0.994 -1.259 1.00 0.00 C ATOM 370 O GLY E 14 130.728 0.054 -0.633 1.00 0.00 O ATOM 0 HA2 GLY E 14 131.303 -2.998 -1.417 1.00 0.00 H new ATOM 0 HA3 GLY E 14 129.978 -2.830 -0.282 1.00 0.00 H new ATOM 374 N GLU E 15 129.986 -1.035 -2.477 1.00 0.00 N ATOM 375 CA GLU E 15 129.566 0.177 -3.185 1.00 0.00 C ATOM 376 C GLU E 15 128.092 0.425 -2.897 1.00 0.00 C ATOM 377 O GLU E 15 127.266 -0.453 -3.125 1.00 0.00 O ATOM 378 CB GLU E 15 129.803 -0.005 -4.697 1.00 0.00 C ATOM 379 CG GLU E 15 129.297 1.221 -5.477 1.00 0.00 C ATOM 380 CD GLU E 15 129.552 1.032 -6.974 1.00 0.00 C ATOM 381 OE1 GLU E 15 130.710 1.009 -7.360 1.00 0.00 O ATOM 382 OE2 GLU E 15 128.588 0.912 -7.715 1.00 0.00 O ATOM 0 H GLU E 15 129.823 -1.898 -2.995 1.00 0.00 H new ATOM 0 HA GLU E 15 130.145 1.036 -2.846 1.00 0.00 H new ATOM 0 HB2 GLU E 15 130.866 -0.151 -4.889 1.00 0.00 H new ATOM 0 HB3 GLU E 15 129.290 -0.901 -5.046 1.00 0.00 H new ATOM 0 HG2 GLU E 15 128.231 1.363 -5.296 1.00 0.00 H new ATOM 0 HG3 GLU E 15 129.802 2.120 -5.125 1.00 0.00 H new ATOM 389 N ILE E 16 127.770 1.617 -2.386 1.00 0.00 N ATOM 390 CA ILE E 16 126.382 1.947 -2.057 1.00 0.00 C ATOM 391 C ILE E 16 125.800 2.950 -3.061 1.00 0.00 C ATOM 392 O ILE E 16 126.396 3.989 -3.358 1.00 0.00 O ATOM 393 CB ILE E 16 126.292 2.458 -0.604 1.00 0.00 C ATOM 394 CG1 ILE E 16 126.945 1.398 0.344 1.00 0.00 C ATOM 395 CG2 ILE E 16 124.816 2.686 -0.239 1.00 0.00 C ATOM 396 CD1 ILE E 16 126.208 1.273 1.692 1.00 0.00 C ATOM 0 H ILE E 16 128.442 2.360 -2.194 1.00 0.00 H new ATOM 0 HA ILE E 16 125.776 1.044 -2.131 1.00 0.00 H new ATOM 0 HB ILE E 16 126.824 3.403 -0.496 1.00 0.00 H new ATOM 0 HG12 ILE E 16 126.953 0.428 -0.153 1.00 0.00 H new ATOM 0 HG13 ILE E 16 127.984 1.671 0.527 1.00 0.00 H new ATOM 0 HG21 ILE E 16 124.747 3.047 0.787 1.00 0.00 H new ATOM 0 HG22 ILE E 16 124.384 3.425 -0.914 1.00 0.00 H new ATOM 0 HG23 ILE E 16 124.269 1.748 -0.331 1.00 0.00 H new ATOM 0 HD11 ILE E 16 126.704 0.524 2.310 1.00 0.00 H new ATOM 0 HD12 ILE E 16 126.223 2.234 2.205 1.00 0.00 H new ATOM 0 HD13 ILE E 16 125.175 0.972 1.516 1.00 0.00 H new ATOM 408 N VAL E 17 124.636 2.571 -3.594 1.00 0.00 N ATOM 409 CA VAL E 17 123.899 3.335 -4.609 1.00 0.00 C ATOM 410 C VAL E 17 122.634 3.984 -4.033 1.00 0.00 C ATOM 411 O VAL E 17 121.979 3.415 -3.162 1.00 0.00 O ATOM 412 CB VAL E 17 123.506 2.356 -5.738 1.00 0.00 C ATOM 413 CG1 VAL E 17 122.482 2.985 -6.707 1.00 0.00 C ATOM 414 CG2 VAL E 17 124.767 1.946 -6.510 1.00 0.00 C ATOM 0 H VAL E 17 124.167 1.705 -3.327 1.00 0.00 H new ATOM 0 HA VAL E 17 124.535 4.140 -4.979 1.00 0.00 H new ATOM 0 HB VAL E 17 123.039 1.481 -5.286 1.00 0.00 H new ATOM 0 HG11 VAL E 17 122.230 2.266 -7.487 1.00 0.00 H new ATOM 0 HG12 VAL E 17 121.580 3.255 -6.158 1.00 0.00 H new ATOM 0 HG13 VAL E 17 122.912 3.878 -7.161 1.00 0.00 H new ATOM 0 HG21 VAL E 17 124.496 1.255 -7.308 1.00 0.00 H new ATOM 0 HG22 VAL E 17 125.235 2.832 -6.940 1.00 0.00 H new ATOM 0 HG23 VAL E 17 125.467 1.460 -5.831 1.00 0.00 H new ATOM 424 N TYR E 18 122.291 5.166 -4.564 1.00 0.00 N ATOM 425 CA TYR E 18 121.084 5.896 -4.154 1.00 0.00 C ATOM 426 C TYR E 18 120.249 6.243 -5.389 1.00 0.00 C ATOM 427 O TYR E 18 120.761 6.857 -6.330 1.00 0.00 O ATOM 428 CB TYR E 18 121.470 7.171 -3.391 1.00 0.00 C ATOM 429 CG TYR E 18 121.886 6.792 -2.000 1.00 0.00 C ATOM 430 CD1 TYR E 18 123.208 6.426 -1.737 1.00 0.00 C ATOM 431 CD2 TYR E 18 120.941 6.796 -0.973 1.00 0.00 C ATOM 432 CE1 TYR E 18 123.584 6.067 -0.444 1.00 0.00 C ATOM 433 CE2 TYR E 18 121.313 6.439 0.317 1.00 0.00 C ATOM 434 CZ TYR E 18 122.638 6.072 0.588 1.00 0.00 C ATOM 435 OH TYR E 18 123.013 5.718 1.868 1.00 0.00 O ATOM 0 H TYR E 18 122.837 5.639 -5.284 1.00 0.00 H new ATOM 0 HA TYR E 18 120.491 5.266 -3.492 1.00 0.00 H new ATOM 0 HB2 TYR E 18 122.284 7.685 -3.902 1.00 0.00 H new ATOM 0 HB3 TYR E 18 120.627 7.862 -3.358 1.00 0.00 H new ATOM 0 HD1 TYR E 18 123.937 6.421 -2.534 1.00 0.00 H new ATOM 0 HD2 TYR E 18 119.919 7.077 -1.181 1.00 0.00 H new ATOM 0 HE1 TYR E 18 124.606 5.785 -0.238 1.00 0.00 H new ATOM 0 HE2 TYR E 18 120.581 6.444 1.111 1.00 0.00 H new ATOM 0 HH TYR E 18 122.526 6.269 2.516 1.00 0.00 H new ATOM 445 N LEU E 19 118.967 5.837 -5.382 1.00 0.00 N ATOM 446 CA LEU E 19 118.063 6.101 -6.515 1.00 0.00 C ATOM 447 C LEU E 19 116.801 6.879 -6.071 1.00 0.00 C ATOM 448 O LEU E 19 115.692 6.534 -6.487 1.00 0.00 O ATOM 449 CB LEU E 19 117.633 4.767 -7.165 1.00 0.00 C ATOM 450 CG LEU E 19 118.835 4.018 -7.774 1.00 0.00 C ATOM 451 CD1 LEU E 19 118.471 2.537 -7.954 1.00 0.00 C ATOM 452 CD2 LEU E 19 119.210 4.615 -9.142 1.00 0.00 C ATOM 0 H LEU E 19 118.536 5.328 -4.610 1.00 0.00 H new ATOM 0 HA LEU E 19 118.607 6.713 -7.235 1.00 0.00 H new ATOM 0 HB2 LEU E 19 117.151 4.136 -6.418 1.00 0.00 H new ATOM 0 HB3 LEU E 19 116.894 4.962 -7.942 1.00 0.00 H new ATOM 0 HG LEU E 19 119.687 4.118 -7.101 1.00 0.00 H new ATOM 0 HD11 LEU E 19 119.319 2.004 -8.385 1.00 0.00 H new ATOM 0 HD12 LEU E 19 118.223 2.103 -6.985 1.00 0.00 H new ATOM 0 HD13 LEU E 19 117.612 2.452 -8.620 1.00 0.00 H new ATOM 0 HD21 LEU E 19 120.060 4.072 -9.555 1.00 0.00 H new ATOM 0 HD22 LEU E 19 118.361 4.531 -9.821 1.00 0.00 H new ATOM 0 HD23 LEU E 19 119.474 5.665 -9.020 1.00 0.00 H new ATOM 464 N PRO E 20 116.922 7.936 -5.275 1.00 0.00 N ATOM 465 CA PRO E 20 115.728 8.736 -4.848 1.00 0.00 C ATOM 466 C PRO E 20 115.083 9.428 -6.043 1.00 0.00 C ATOM 467 O PRO E 20 113.908 9.803 -6.005 1.00 0.00 O ATOM 468 CB PRO E 20 116.289 9.763 -3.859 1.00 0.00 C ATOM 469 CG PRO E 20 117.747 9.859 -4.168 1.00 0.00 C ATOM 470 CD PRO E 20 118.169 8.491 -4.704 1.00 0.00 C ATOM 0 HA PRO E 20 114.951 8.115 -4.403 1.00 0.00 H new ATOM 0 HB2 PRO E 20 115.799 10.729 -3.976 1.00 0.00 H new ATOM 0 HB3 PRO E 20 116.126 9.446 -2.829 1.00 0.00 H new ATOM 0 HG2 PRO E 20 117.937 10.640 -4.905 1.00 0.00 H new ATOM 0 HG3 PRO E 20 118.316 10.118 -3.275 1.00 0.00 H new ATOM 0 HD2 PRO E 20 118.950 8.581 -5.459 1.00 0.00 H new ATOM 0 HD3 PRO E 20 118.564 7.855 -3.912 1.00 0.00 H new ATOM 478 N ASN E 21 115.881 9.586 -7.098 1.00 0.00 N ATOM 479 CA ASN E 21 115.436 10.226 -8.325 1.00 0.00 C ATOM 480 C ASN E 21 114.452 9.334 -9.078 1.00 0.00 C ATOM 481 O ASN E 21 113.707 9.817 -9.933 1.00 0.00 O ATOM 482 CB ASN E 21 116.653 10.520 -9.218 1.00 0.00 C ATOM 483 CG ASN E 21 117.608 11.509 -8.538 1.00 0.00 C ATOM 484 OD1 ASN E 21 117.227 12.208 -7.598 1.00 0.00 O ATOM 485 ND2 ASN E 21 118.835 11.618 -8.970 1.00 0.00 N ATOM 0 H ASN E 21 116.852 9.273 -7.122 1.00 0.00 H new ATOM 0 HA ASN E 21 114.930 11.157 -8.068 1.00 0.00 H new ATOM 0 HB2 ASN E 21 117.181 9.592 -9.437 1.00 0.00 H new ATOM 0 HB3 ASN E 21 116.319 10.929 -10.171 1.00 0.00 H new ATOM 0 HD21 ASN E 21 119.474 12.280 -8.529 1.00 0.00 H new ATOM 0 HD22 ASN E 21 119.155 11.041 -9.748 1.00 0.00 H new ATOM 492 N LEU E 22 114.468 8.030 -8.769 1.00 0.00 N ATOM 493 CA LEU E 22 113.592 7.077 -9.441 1.00 0.00 C ATOM 494 C LEU E 22 112.207 7.036 -8.813 1.00 0.00 C ATOM 495 O LEU E 22 112.059 7.065 -7.589 1.00 0.00 O ATOM 496 CB LEU E 22 114.220 5.678 -9.392 1.00 0.00 C ATOM 497 CG LEU E 22 115.185 5.483 -10.576 1.00 0.00 C ATOM 498 CD1 LEU E 22 116.330 6.513 -10.530 1.00 0.00 C ATOM 499 CD2 LEU E 22 115.748 4.052 -10.522 1.00 0.00 C ATOM 0 H LEU E 22 115.076 7.619 -8.061 1.00 0.00 H new ATOM 0 HA LEU E 22 113.478 7.403 -10.475 1.00 0.00 H new ATOM 0 HB2 LEU E 22 114.756 5.545 -8.452 1.00 0.00 H new ATOM 0 HB3 LEU E 22 113.438 4.920 -9.423 1.00 0.00 H new ATOM 0 HG LEU E 22 114.645 5.634 -11.510 1.00 0.00 H new ATOM 0 HD11 LEU E 22 116.997 6.353 -11.377 1.00 0.00 H new ATOM 0 HD12 LEU E 22 115.916 7.520 -10.579 1.00 0.00 H new ATOM 0 HD13 LEU E 22 116.888 6.395 -9.601 1.00 0.00 H new ATOM 0 HD21 LEU E 22 116.434 3.899 -11.355 1.00 0.00 H new ATOM 0 HD22 LEU E 22 116.281 3.906 -9.582 1.00 0.00 H new ATOM 0 HD23 LEU E 22 114.929 3.336 -10.590 1.00 0.00 H new ATOM 511 N ASN E 23 111.200 6.937 -9.681 1.00 0.00 N ATOM 512 CA ASN E 23 109.809 6.854 -9.240 1.00 0.00 C ATOM 513 C ASN E 23 109.592 5.512 -8.539 1.00 0.00 C ATOM 514 O ASN E 23 110.330 4.560 -8.809 1.00 0.00 O ATOM 515 CB ASN E 23 108.861 6.945 -10.444 1.00 0.00 C ATOM 516 CG ASN E 23 109.272 8.093 -11.360 1.00 0.00 C ATOM 517 OD1 ASN E 23 109.263 9.250 -10.945 1.00 0.00 O ATOM 518 ND2 ASN E 23 109.646 7.838 -12.585 1.00 0.00 N ATOM 0 H ASN E 23 111.322 6.912 -10.693 1.00 0.00 H new ATOM 0 HA ASN E 23 109.601 7.679 -8.559 1.00 0.00 H new ATOM 0 HB2 ASN E 23 108.876 6.006 -10.998 1.00 0.00 H new ATOM 0 HB3 ASN E 23 107.838 7.095 -10.099 1.00 0.00 H new ATOM 0 HD21 ASN E 23 109.932 8.600 -13.200 1.00 0.00 H new ATOM 0 HD22 ASN E 23 109.652 6.877 -12.927 1.00 0.00 H new ATOM 525 N PRO E 24 108.603 5.395 -7.666 1.00 0.00 N ATOM 526 CA PRO E 24 108.322 4.109 -6.951 1.00 0.00 C ATOM 527 C PRO E 24 108.131 2.962 -7.940 1.00 0.00 C ATOM 528 O PRO E 24 108.515 1.822 -7.671 1.00 0.00 O ATOM 529 CB PRO E 24 107.032 4.386 -6.166 1.00 0.00 C ATOM 530 CG PRO E 24 106.952 5.873 -6.043 1.00 0.00 C ATOM 531 CD PRO E 24 107.653 6.452 -7.272 1.00 0.00 C ATOM 0 HA PRO E 24 109.144 3.805 -6.302 1.00 0.00 H new ATOM 0 HB2 PRO E 24 106.162 3.988 -6.688 1.00 0.00 H new ATOM 0 HB3 PRO E 24 107.060 3.912 -5.185 1.00 0.00 H new ATOM 0 HG2 PRO E 24 105.914 6.203 -5.998 1.00 0.00 H new ATOM 0 HG3 PRO E 24 107.434 6.212 -5.126 1.00 0.00 H new ATOM 0 HD2 PRO E 24 106.944 6.671 -8.071 1.00 0.00 H new ATOM 0 HD3 PRO E 24 108.167 7.384 -7.037 1.00 0.00 H new ATOM 539 N ASP E 25 107.557 3.297 -9.097 1.00 0.00 N ATOM 540 CA ASP E 25 107.332 2.316 -10.152 1.00 0.00 C ATOM 541 C ASP E 25 108.671 1.810 -10.690 1.00 0.00 C ATOM 542 O ASP E 25 108.872 0.601 -10.836 1.00 0.00 O ATOM 543 CB ASP E 25 106.520 2.946 -11.295 1.00 0.00 C ATOM 544 CG ASP E 25 105.141 3.388 -10.792 1.00 0.00 C ATOM 545 OD1 ASP E 25 104.361 2.525 -10.421 1.00 0.00 O ATOM 546 OD2 ASP E 25 104.888 4.582 -10.782 1.00 0.00 O ATOM 0 H ASP E 25 107.241 4.240 -9.324 1.00 0.00 H new ATOM 0 HA ASP E 25 106.772 1.478 -9.737 1.00 0.00 H new ATOM 0 HB2 ASP E 25 107.057 3.803 -11.702 1.00 0.00 H new ATOM 0 HB3 ASP E 25 106.405 2.227 -12.106 1.00 0.00 H new ATOM 551 N GLN E 26 109.588 2.742 -10.979 1.00 0.00 N ATOM 552 CA GLN E 26 110.898 2.386 -11.492 1.00 0.00 C ATOM 553 C GLN E 26 111.675 1.571 -10.457 1.00 0.00 C ATOM 554 O GLN E 26 112.298 0.563 -10.804 1.00 0.00 O ATOM 555 CB GLN E 26 111.659 3.661 -11.860 1.00 0.00 C ATOM 556 CG GLN E 26 112.921 3.306 -12.647 1.00 0.00 C ATOM 557 CD GLN E 26 112.558 2.719 -14.013 1.00 0.00 C ATOM 558 OE1 GLN E 26 113.003 1.624 -14.356 1.00 0.00 O ATOM 559 NE2 GLN E 26 111.773 3.384 -14.816 1.00 0.00 N ATOM 0 H GLN E 26 109.438 3.744 -10.863 1.00 0.00 H new ATOM 0 HA GLN E 26 110.782 1.770 -12.384 1.00 0.00 H new ATOM 0 HB2 GLN E 26 111.022 4.316 -12.454 1.00 0.00 H new ATOM 0 HB3 GLN E 26 111.926 4.209 -10.956 1.00 0.00 H new ATOM 0 HG2 GLN E 26 113.536 4.196 -12.780 1.00 0.00 H new ATOM 0 HG3 GLN E 26 113.517 2.588 -12.084 1.00 0.00 H new ATOM 0 HE21 GLN E 26 111.404 4.292 -14.532 1.00 0.00 H new ATOM 0 HE22 GLN E 26 111.529 2.996 -15.727 1.00 0.00 H new ATOM 568 N LEU E 27 111.623 1.999 -9.182 1.00 0.00 N ATOM 569 CA LEU E 27 112.318 1.269 -8.113 1.00 0.00 C ATOM 570 C LEU E 27 111.734 -0.137 -7.991 1.00 0.00 C ATOM 571 O LEU E 27 112.467 -1.102 -7.778 1.00 0.00 O ATOM 572 CB LEU E 27 112.200 1.997 -6.760 1.00 0.00 C ATOM 573 CG LEU E 27 112.935 3.352 -6.797 1.00 0.00 C ATOM 574 CD1 LEU E 27 112.738 4.092 -5.464 1.00 0.00 C ATOM 575 CD2 LEU E 27 114.444 3.142 -7.029 1.00 0.00 C ATOM 0 H LEU E 27 111.117 2.829 -8.874 1.00 0.00 H new ATOM 0 HA LEU E 27 113.375 1.214 -8.374 1.00 0.00 H new ATOM 0 HB2 LEU E 27 111.149 2.156 -6.519 1.00 0.00 H new ATOM 0 HB3 LEU E 27 112.618 1.374 -5.970 1.00 0.00 H new ATOM 0 HG LEU E 27 112.521 3.942 -7.615 1.00 0.00 H new ATOM 0 HD11 LEU E 27 113.260 5.048 -5.498 1.00 0.00 H new ATOM 0 HD12 LEU E 27 111.675 4.265 -5.298 1.00 0.00 H new ATOM 0 HD13 LEU E 27 113.139 3.488 -4.650 1.00 0.00 H new ATOM 0 HD21 LEU E 27 114.947 4.109 -7.052 1.00 0.00 H new ATOM 0 HD22 LEU E 27 114.856 2.538 -6.220 1.00 0.00 H new ATOM 0 HD23 LEU E 27 114.598 2.630 -7.979 1.00 0.00 H new ATOM 587 N CYS E 28 110.409 -0.238 -8.151 1.00 0.00 N ATOM 588 CA CYS E 28 109.723 -1.528 -8.085 1.00 0.00 C ATOM 589 C CYS E 28 110.171 -2.414 -9.247 1.00 0.00 C ATOM 590 O CYS E 28 110.456 -3.603 -9.063 1.00 0.00 O ATOM 591 CB CYS E 28 108.205 -1.320 -8.149 1.00 0.00 C ATOM 592 SG CYS E 28 107.361 -2.839 -7.644 1.00 0.00 S ATOM 0 H CYS E 28 109.795 0.557 -8.326 1.00 0.00 H new ATOM 0 HA CYS E 28 109.976 -2.015 -7.143 1.00 0.00 H new ATOM 0 HB2 CYS E 28 107.913 -0.496 -7.498 1.00 0.00 H new ATOM 0 HB3 CYS E 28 107.908 -1.046 -9.161 1.00 0.00 H new ATOM 597 N ALA E 29 110.230 -1.812 -10.442 1.00 0.00 N ATOM 598 CA ALA E 29 110.647 -2.523 -11.654 1.00 0.00 C ATOM 599 C ALA E 29 112.079 -3.030 -11.505 1.00 0.00 C ATOM 600 O ALA E 29 112.383 -4.184 -11.821 1.00 0.00 O ATOM 601 CB ALA E 29 110.573 -1.571 -12.856 1.00 0.00 C ATOM 0 H ALA E 29 109.993 -0.832 -10.594 1.00 0.00 H new ATOM 0 HA ALA E 29 109.982 -3.372 -11.809 1.00 0.00 H new ATOM 0 HB1 ALA E 29 110.883 -2.099 -13.758 1.00 0.00 H new ATOM 0 HB2 ALA E 29 109.549 -1.216 -12.977 1.00 0.00 H new ATOM 0 HB3 ALA E 29 111.234 -0.721 -12.688 1.00 0.00 H new ATOM 607 N PHE E 30 112.946 -2.146 -11.014 1.00 0.00 N ATOM 608 CA PHE E 30 114.354 -2.469 -10.804 1.00 0.00 C ATOM 609 C PHE E 30 114.514 -3.542 -9.725 1.00 0.00 C ATOM 610 O PHE E 30 115.223 -4.520 -9.923 1.00 0.00 O ATOM 611 CB PHE E 30 115.098 -1.181 -10.408 1.00 0.00 C ATOM 612 CG PHE E 30 116.528 -1.477 -9.991 1.00 0.00 C ATOM 613 CD1 PHE E 30 117.433 -2.039 -10.901 1.00 0.00 C ATOM 614 CD2 PHE E 30 116.943 -1.182 -8.686 1.00 0.00 C ATOM 615 CE1 PHE E 30 118.751 -2.303 -10.503 1.00 0.00 C ATOM 616 CE2 PHE E 30 118.259 -1.443 -8.292 1.00 0.00 C ATOM 617 CZ PHE E 30 119.163 -2.002 -9.198 1.00 0.00 C ATOM 0 H PHE E 30 112.694 -1.193 -10.753 1.00 0.00 H new ATOM 0 HA PHE E 30 114.778 -2.870 -11.725 1.00 0.00 H new ATOM 0 HB2 PHE E 30 115.098 -0.486 -11.247 1.00 0.00 H new ATOM 0 HB3 PHE E 30 114.572 -0.692 -9.589 1.00 0.00 H new ATOM 0 HD1 PHE E 30 117.116 -2.268 -11.908 1.00 0.00 H new ATOM 0 HD2 PHE E 30 116.245 -0.752 -7.983 1.00 0.00 H new ATOM 0 HE1 PHE E 30 119.449 -2.739 -11.203 1.00 0.00 H new ATOM 0 HE2 PHE E 30 118.577 -1.212 -7.286 1.00 0.00 H new ATOM 0 HZ PHE E 30 120.179 -2.202 -8.893 1.00 0.00 H new ATOM 627 N ILE E 31 113.858 -3.329 -8.585 1.00 0.00 N ATOM 628 CA ILE E 31 113.928 -4.256 -7.447 1.00 0.00 C ATOM 629 C ILE E 31 113.454 -5.673 -7.806 1.00 0.00 C ATOM 630 O ILE E 31 114.018 -6.651 -7.307 1.00 0.00 O ATOM 631 CB ILE E 31 113.116 -3.651 -6.279 1.00 0.00 C ATOM 632 CG1 ILE E 31 113.959 -2.549 -5.628 1.00 0.00 C ATOM 633 CG2 ILE E 31 112.755 -4.691 -5.211 1.00 0.00 C ATOM 634 CD1 ILE E 31 113.102 -1.725 -4.664 1.00 0.00 C ATOM 0 H ILE E 31 113.265 -2.515 -8.421 1.00 0.00 H new ATOM 0 HA ILE E 31 114.970 -4.374 -7.149 1.00 0.00 H new ATOM 0 HB ILE E 31 112.182 -3.262 -6.685 1.00 0.00 H new ATOM 0 HG12 ILE E 31 114.798 -2.992 -5.092 1.00 0.00 H new ATOM 0 HG13 ILE E 31 114.379 -1.901 -6.397 1.00 0.00 H new ATOM 0 HG21 ILE E 31 112.185 -4.212 -4.415 1.00 0.00 H new ATOM 0 HG22 ILE E 31 112.155 -5.482 -5.661 1.00 0.00 H new ATOM 0 HG23 ILE E 31 113.668 -5.119 -4.797 1.00 0.00 H new ATOM 0 HD11 ILE E 31 113.713 -0.946 -4.209 1.00 0.00 H new ATOM 0 HD12 ILE E 31 112.278 -1.267 -5.211 1.00 0.00 H new ATOM 0 HD13 ILE E 31 112.703 -2.375 -3.885 1.00 0.00 H new ATOM 646 N HIS E 32 112.436 -5.787 -8.664 1.00 0.00 N ATOM 647 CA HIS E 32 111.934 -7.109 -9.053 1.00 0.00 C ATOM 648 C HIS E 32 112.949 -7.823 -9.942 1.00 0.00 C ATOM 649 O HIS E 32 113.302 -8.979 -9.691 1.00 0.00 O ATOM 650 CB HIS E 32 110.592 -6.978 -9.790 1.00 0.00 C ATOM 651 CG HIS E 32 109.463 -6.991 -8.792 1.00 0.00 C ATOM 652 ND1 HIS E 32 108.872 -5.829 -8.321 1.00 0.00 N ATOM 653 CD2 HIS E 32 108.811 -8.024 -8.162 1.00 0.00 C ATOM 654 CE1 HIS E 32 107.911 -6.188 -7.448 1.00 0.00 C ATOM 655 NE2 HIS E 32 107.832 -7.515 -7.314 1.00 0.00 N ATOM 0 H HIS E 32 111.952 -4.999 -9.095 1.00 0.00 H new ATOM 0 HA HIS E 32 111.782 -7.698 -8.149 1.00 0.00 H new ATOM 0 HB2 HIS E 32 110.571 -6.053 -10.366 1.00 0.00 H new ATOM 0 HB3 HIS E 32 110.473 -7.798 -10.499 1.00 0.00 H new ATOM 0 HD1 HIS E 32 109.120 -4.876 -8.587 1.00 0.00 H new ATOM 0 HD2 HIS E 32 109.026 -9.073 -8.304 1.00 0.00 H new ATOM 0 HE1 HIS E 32 107.281 -5.488 -6.920 1.00 0.00 H new ATOM 664 N SER E 33 113.414 -7.122 -10.976 1.00 0.00 N ATOM 665 CA SER E 33 114.394 -7.680 -11.910 1.00 0.00 C ATOM 666 C SER E 33 115.732 -7.947 -11.214 1.00 0.00 C ATOM 667 O SER E 33 116.370 -8.979 -11.444 1.00 0.00 O ATOM 668 CB SER E 33 114.596 -6.701 -13.069 1.00 0.00 C ATOM 669 OG SER E 33 115.460 -7.278 -14.042 1.00 0.00 O ATOM 0 H SER E 33 113.128 -6.166 -11.189 1.00 0.00 H new ATOM 0 HA SER E 33 114.016 -8.631 -12.286 1.00 0.00 H new ATOM 0 HB2 SER E 33 113.635 -6.456 -13.522 1.00 0.00 H new ATOM 0 HB3 SER E 33 115.021 -5.768 -12.699 1.00 0.00 H new ATOM 0 HG SER E 33 115.585 -6.649 -14.783 1.00 0.00 H new ATOM 675 N LEU E 34 116.138 -6.999 -10.364 1.00 0.00 N ATOM 676 CA LEU E 34 117.393 -7.090 -9.612 1.00 0.00 C ATOM 677 C LEU E 34 117.430 -8.370 -8.778 1.00 0.00 C ATOM 678 O LEU E 34 118.453 -9.061 -8.725 1.00 0.00 O ATOM 679 CB LEU E 34 117.507 -5.854 -8.703 1.00 0.00 C ATOM 680 CG LEU E 34 118.819 -5.859 -7.902 1.00 0.00 C ATOM 681 CD1 LEU E 34 120.019 -5.845 -8.866 1.00 0.00 C ATOM 682 CD2 LEU E 34 118.857 -4.614 -6.988 1.00 0.00 C ATOM 0 H LEU E 34 115.607 -6.148 -10.178 1.00 0.00 H new ATOM 0 HA LEU E 34 118.234 -7.121 -10.304 1.00 0.00 H new ATOM 0 HB2 LEU E 34 117.454 -4.950 -9.309 1.00 0.00 H new ATOM 0 HB3 LEU E 34 116.661 -5.828 -8.016 1.00 0.00 H new ATOM 0 HG LEU E 34 118.873 -6.760 -7.290 1.00 0.00 H new ATOM 0 HD11 LEU E 34 120.946 -5.849 -8.293 1.00 0.00 H new ATOM 0 HD12 LEU E 34 119.983 -6.728 -9.504 1.00 0.00 H new ATOM 0 HD13 LEU E 34 119.978 -4.948 -9.485 1.00 0.00 H new ATOM 0 HD21 LEU E 34 119.785 -4.611 -6.416 1.00 0.00 H new ATOM 0 HD22 LEU E 34 118.803 -3.713 -7.599 1.00 0.00 H new ATOM 0 HD23 LEU E 34 118.009 -4.639 -6.303 1.00 0.00 H new ATOM 694 N HIS E 35 116.301 -8.675 -8.140 1.00 0.00 N ATOM 695 CA HIS E 35 116.181 -9.872 -7.313 1.00 0.00 C ATOM 696 C HIS E 35 116.047 -11.128 -8.184 1.00 0.00 C ATOM 697 O HIS E 35 116.631 -12.170 -7.874 1.00 0.00 O ATOM 698 CB HIS E 35 114.956 -9.738 -6.401 1.00 0.00 C ATOM 699 CG HIS E 35 114.929 -10.880 -5.411 1.00 0.00 C ATOM 700 ND1 HIS E 35 115.772 -10.921 -4.312 1.00 0.00 N ATOM 701 CD2 HIS E 35 114.176 -12.026 -5.350 1.00 0.00 C ATOM 702 CE1 HIS E 35 115.508 -12.059 -3.641 1.00 0.00 C ATOM 703 NE2 HIS E 35 114.545 -12.770 -4.232 1.00 0.00 N ATOM 0 H HIS E 35 115.455 -8.107 -8.181 1.00 0.00 H new ATOM 0 HA HIS E 35 117.083 -9.971 -6.708 1.00 0.00 H new ATOM 0 HB2 HIS E 35 114.988 -8.786 -5.871 1.00 0.00 H new ATOM 0 HB3 HIS E 35 114.044 -9.740 -6.998 1.00 0.00 H new ATOM 0 HD2 HIS E 35 113.413 -12.308 -6.061 1.00 0.00 H new ATOM 0 HE1 HIS E 35 116.014 -12.359 -2.735 1.00 0.00 H new ATOM 0 HE2 HIS E 35 114.162 -13.666 -3.930 1.00 0.00 H new ATOM 712 N ASP E 36 115.252 -11.018 -9.256 1.00 0.00 N ATOM 713 CA ASP E 36 115.012 -12.145 -10.163 1.00 0.00 C ATOM 714 C ASP E 36 116.319 -12.704 -10.727 1.00 0.00 C ATOM 715 O ASP E 36 116.467 -13.922 -10.858 1.00 0.00 O ATOM 716 CB ASP E 36 114.101 -11.697 -11.317 1.00 0.00 C ATOM 717 CG ASP E 36 113.699 -12.901 -12.173 1.00 0.00 C ATOM 718 OD1 ASP E 36 112.747 -13.573 -11.805 1.00 0.00 O ATOM 719 OD2 ASP E 36 114.349 -13.136 -13.180 1.00 0.00 O ATOM 0 H ASP E 36 114.765 -10.160 -9.515 1.00 0.00 H new ATOM 0 HA ASP E 36 114.527 -12.937 -9.592 1.00 0.00 H new ATOM 0 HB2 ASP E 36 113.210 -11.211 -10.919 1.00 0.00 H new ATOM 0 HB3 ASP E 36 114.617 -10.960 -11.933 1.00 0.00 H new ATOM 724 N ASP E 37 117.257 -11.810 -11.063 1.00 0.00 N ATOM 725 CA ASP E 37 118.550 -12.221 -11.621 1.00 0.00 C ATOM 726 C ASP E 37 119.711 -11.527 -10.885 1.00 0.00 C ATOM 727 O ASP E 37 120.127 -10.427 -11.265 1.00 0.00 O ATOM 728 CB ASP E 37 118.596 -11.893 -13.123 1.00 0.00 C ATOM 729 CG ASP E 37 119.678 -12.726 -13.821 1.00 0.00 C ATOM 730 OD1 ASP E 37 120.830 -12.622 -13.429 1.00 0.00 O ATOM 731 OD2 ASP E 37 119.340 -13.453 -14.742 1.00 0.00 O ATOM 0 H ASP E 37 117.145 -10.802 -10.959 1.00 0.00 H new ATOM 0 HA ASP E 37 118.661 -13.297 -11.486 1.00 0.00 H new ATOM 0 HB2 ASP E 37 117.625 -12.095 -13.575 1.00 0.00 H new ATOM 0 HB3 ASP E 37 118.799 -10.831 -13.264 1.00 0.00 H new ATOM 736 N PRO E 38 120.239 -12.141 -9.839 1.00 0.00 N ATOM 737 CA PRO E 38 121.370 -11.559 -9.050 1.00 0.00 C ATOM 738 C PRO E 38 122.681 -11.543 -9.844 1.00 0.00 C ATOM 739 O PRO E 38 123.530 -10.674 -9.631 1.00 0.00 O ATOM 740 CB PRO E 38 121.472 -12.466 -7.819 1.00 0.00 C ATOM 741 CG PRO E 38 120.869 -13.769 -8.230 1.00 0.00 C ATOM 742 CD PRO E 38 119.822 -13.453 -9.301 1.00 0.00 C ATOM 0 HA PRO E 38 121.191 -10.516 -8.790 1.00 0.00 H new ATOM 0 HB2 PRO E 38 122.510 -12.594 -7.511 1.00 0.00 H new ATOM 0 HB3 PRO E 38 120.938 -12.037 -6.971 1.00 0.00 H new ATOM 0 HG2 PRO E 38 121.632 -14.442 -8.622 1.00 0.00 H new ATOM 0 HG3 PRO E 38 120.411 -14.269 -7.377 1.00 0.00 H new ATOM 0 HD2 PRO E 38 119.806 -14.216 -10.079 1.00 0.00 H new ATOM 0 HD3 PRO E 38 118.819 -13.409 -8.877 1.00 0.00 H new ATOM 750 N SER E 39 122.836 -12.509 -10.757 1.00 0.00 N ATOM 751 CA SER E 39 124.045 -12.596 -11.581 1.00 0.00 C ATOM 752 C SER E 39 124.208 -11.332 -12.432 1.00 0.00 C ATOM 753 O SER E 39 125.324 -10.841 -12.620 1.00 0.00 O ATOM 754 CB SER E 39 123.977 -13.828 -12.492 1.00 0.00 C ATOM 755 OG SER E 39 123.743 -14.987 -11.699 1.00 0.00 O ATOM 0 H SER E 39 122.145 -13.236 -10.942 1.00 0.00 H new ATOM 0 HA SER E 39 124.906 -12.687 -10.919 1.00 0.00 H new ATOM 0 HB2 SER E 39 123.180 -13.708 -13.226 1.00 0.00 H new ATOM 0 HB3 SER E 39 124.908 -13.935 -13.048 1.00 0.00 H new ATOM 0 HG SER E 39 123.697 -15.776 -12.278 1.00 0.00 H new ATOM 761 N GLN E 40 123.080 -10.815 -12.934 1.00 0.00 N ATOM 762 CA GLN E 40 123.075 -9.603 -13.763 1.00 0.00 C ATOM 763 C GLN E 40 122.874 -8.345 -12.912 1.00 0.00 C ATOM 764 O GLN E 40 122.596 -7.275 -13.450 1.00 0.00 O ATOM 765 CB GLN E 40 121.949 -9.688 -14.808 1.00 0.00 C ATOM 766 CG GLN E 40 122.232 -10.814 -15.804 1.00 0.00 C ATOM 767 CD GLN E 40 121.182 -10.814 -16.913 1.00 0.00 C ATOM 768 OE1 GLN E 40 121.229 -9.979 -17.816 1.00 0.00 O ATOM 769 NE2 GLN E 40 120.231 -11.707 -16.903 1.00 0.00 N ATOM 0 H GLN E 40 122.156 -11.219 -12.780 1.00 0.00 H new ATOM 0 HA GLN E 40 124.043 -9.536 -14.259 1.00 0.00 H new ATOM 0 HB2 GLN E 40 120.995 -9.864 -14.311 1.00 0.00 H new ATOM 0 HB3 GLN E 40 121.862 -8.739 -15.337 1.00 0.00 H new ATOM 0 HG2 GLN E 40 123.226 -10.688 -16.234 1.00 0.00 H new ATOM 0 HG3 GLN E 40 122.227 -11.775 -15.289 1.00 0.00 H new ATOM 0 HE21 GLN E 40 120.190 -12.400 -16.156 1.00 0.00 H new ATOM 0 HE22 GLN E 40 119.528 -11.712 -17.643 1.00 0.00 H new ATOM 778 N SER E 41 123.000 -8.474 -11.585 1.00 0.00 N ATOM 779 CA SER E 41 122.803 -7.329 -10.682 1.00 0.00 C ATOM 780 C SER E 41 123.697 -6.140 -11.052 1.00 0.00 C ATOM 781 O SER E 41 123.273 -4.989 -10.941 1.00 0.00 O ATOM 782 CB SER E 41 123.082 -7.746 -9.237 1.00 0.00 C ATOM 783 OG SER E 41 124.438 -8.161 -9.113 1.00 0.00 O ATOM 0 H SER E 41 123.235 -9.348 -11.115 1.00 0.00 H new ATOM 0 HA SER E 41 121.765 -7.012 -10.785 1.00 0.00 H new ATOM 0 HB2 SER E 41 122.883 -6.913 -8.563 1.00 0.00 H new ATOM 0 HB3 SER E 41 122.415 -8.558 -8.947 1.00 0.00 H new ATOM 0 HG SER E 41 124.498 -9.129 -9.254 1.00 0.00 H new ATOM 789 N ALA E 42 124.923 -6.425 -11.496 1.00 0.00 N ATOM 790 CA ALA E 42 125.852 -5.363 -11.883 1.00 0.00 C ATOM 791 C ALA E 42 125.367 -4.655 -13.150 1.00 0.00 C ATOM 792 O ALA E 42 125.328 -3.420 -13.205 1.00 0.00 O ATOM 793 CB ALA E 42 127.247 -5.949 -12.120 1.00 0.00 C ATOM 0 H ALA E 42 125.292 -7.371 -11.596 1.00 0.00 H new ATOM 0 HA ALA E 42 125.898 -4.635 -11.073 1.00 0.00 H new ATOM 0 HB1 ALA E 42 127.932 -5.152 -12.408 1.00 0.00 H new ATOM 0 HB2 ALA E 42 127.604 -6.421 -11.205 1.00 0.00 H new ATOM 0 HB3 ALA E 42 127.199 -6.691 -12.917 1.00 0.00 H new ATOM 799 N ASN E 43 124.995 -5.446 -14.162 1.00 0.00 N ATOM 800 CA ASN E 43 124.510 -4.892 -15.426 1.00 0.00 C ATOM 801 C ASN E 43 123.193 -4.149 -15.224 1.00 0.00 C ATOM 802 O ASN E 43 123.041 -3.017 -15.683 1.00 0.00 O ATOM 803 CB ASN E 43 124.311 -6.015 -16.453 1.00 0.00 C ATOM 804 CG ASN E 43 125.663 -6.518 -16.949 1.00 0.00 C ATOM 805 OD1 ASN E 43 126.029 -7.669 -16.710 1.00 0.00 O ATOM 806 ND2 ASN E 43 126.429 -5.718 -17.636 1.00 0.00 N ATOM 0 H ASN E 43 125.021 -6.465 -14.129 1.00 0.00 H new ATOM 0 HA ASN E 43 125.256 -4.189 -15.795 1.00 0.00 H new ATOM 0 HB2 ASN E 43 123.752 -6.835 -16.003 1.00 0.00 H new ATOM 0 HB3 ASN E 43 123.720 -5.650 -17.293 1.00 0.00 H new ATOM 0 HD21 ASN E 43 127.333 -6.045 -17.976 1.00 0.00 H new ATOM 0 HD22 ASN E 43 126.124 -4.765 -17.833 1.00 0.00 H new ATOM 813 N LEU E 44 122.252 -4.800 -14.532 1.00 0.00 N ATOM 814 CA LEU E 44 120.935 -4.213 -14.259 1.00 0.00 C ATOM 815 C LEU E 44 121.086 -2.900 -13.493 1.00 0.00 C ATOM 816 O LEU E 44 120.410 -1.906 -13.792 1.00 0.00 O ATOM 817 CB LEU E 44 120.087 -5.200 -13.440 1.00 0.00 C ATOM 818 CG LEU E 44 119.828 -6.483 -14.257 1.00 0.00 C ATOM 819 CD1 LEU E 44 119.368 -7.613 -13.326 1.00 0.00 C ATOM 820 CD2 LEU E 44 118.744 -6.216 -15.312 1.00 0.00 C ATOM 0 H LEU E 44 122.378 -5.737 -14.149 1.00 0.00 H new ATOM 0 HA LEU E 44 120.438 -4.009 -15.207 1.00 0.00 H new ATOM 0 HB2 LEU E 44 120.600 -5.449 -12.511 1.00 0.00 H new ATOM 0 HB3 LEU E 44 119.139 -4.737 -13.166 1.00 0.00 H new ATOM 0 HG LEU E 44 120.752 -6.780 -14.753 1.00 0.00 H new ATOM 0 HD11 LEU E 44 119.187 -8.515 -13.910 1.00 0.00 H new ATOM 0 HD12 LEU E 44 120.141 -7.810 -12.584 1.00 0.00 H new ATOM 0 HD13 LEU E 44 118.448 -7.317 -12.822 1.00 0.00 H new ATOM 0 HD21 LEU E 44 118.564 -7.124 -15.887 1.00 0.00 H new ATOM 0 HD22 LEU E 44 117.822 -5.911 -14.817 1.00 0.00 H new ATOM 0 HD23 LEU E 44 119.076 -5.423 -15.982 1.00 0.00 H new ATOM 832 N LEU E 45 121.993 -2.905 -12.519 1.00 0.00 N ATOM 833 CA LEU E 45 122.257 -1.713 -11.726 1.00 0.00 C ATOM 834 C LEU E 45 122.810 -0.609 -12.614 1.00 0.00 C ATOM 835 O LEU E 45 122.478 0.562 -12.429 1.00 0.00 O ATOM 836 CB LEU E 45 123.234 -2.037 -10.589 1.00 0.00 C ATOM 837 CG LEU E 45 123.563 -0.770 -9.776 1.00 0.00 C ATOM 838 CD1 LEU E 45 122.268 -0.009 -9.411 1.00 0.00 C ATOM 839 CD2 LEU E 45 124.320 -1.176 -8.499 1.00 0.00 C ATOM 0 H LEU E 45 122.553 -3.718 -12.263 1.00 0.00 H new ATOM 0 HA LEU E 45 121.323 -1.366 -11.284 1.00 0.00 H new ATOM 0 HB2 LEU E 45 122.800 -2.793 -9.934 1.00 0.00 H new ATOM 0 HB3 LEU E 45 124.151 -2.460 -11.000 1.00 0.00 H new ATOM 0 HG LEU E 45 124.187 -0.108 -10.376 1.00 0.00 H new ATOM 0 HD11 LEU E 45 122.520 0.883 -8.837 1.00 0.00 H new ATOM 0 HD12 LEU E 45 121.747 0.282 -10.323 1.00 0.00 H new ATOM 0 HD13 LEU E 45 121.623 -0.654 -8.815 1.00 0.00 H new ATOM 0 HD21 LEU E 45 124.557 -0.285 -7.918 1.00 0.00 H new ATOM 0 HD22 LEU E 45 123.697 -1.843 -7.903 1.00 0.00 H new ATOM 0 HD23 LEU E 45 125.243 -1.688 -8.771 1.00 0.00 H new ATOM 851 N ALA E 46 123.632 -0.990 -13.598 1.00 0.00 N ATOM 852 CA ALA E 46 124.191 -0.011 -14.527 1.00 0.00 C ATOM 853 C ALA E 46 123.045 0.747 -15.195 1.00 0.00 C ATOM 854 O ALA E 46 123.129 1.954 -15.415 1.00 0.00 O ATOM 855 CB ALA E 46 125.043 -0.714 -15.593 1.00 0.00 C ATOM 0 H ALA E 46 123.919 -1.954 -13.768 1.00 0.00 H new ATOM 0 HA ALA E 46 124.827 0.685 -13.981 1.00 0.00 H new ATOM 0 HB1 ALA E 46 125.453 0.028 -16.278 1.00 0.00 H new ATOM 0 HB2 ALA E 46 125.859 -1.252 -15.110 1.00 0.00 H new ATOM 0 HB3 ALA E 46 124.423 -1.418 -16.149 1.00 0.00 H new ATOM 861 N GLU E 47 121.964 0.011 -15.480 1.00 0.00 N ATOM 862 CA GLU E 47 120.769 0.589 -16.100 1.00 0.00 C ATOM 863 C GLU E 47 120.050 1.486 -15.122 1.00 0.00 C ATOM 864 O GLU E 47 119.546 2.547 -15.498 1.00 0.00 O ATOM 865 CB GLU E 47 119.790 -0.509 -16.514 1.00 0.00 C ATOM 866 CG GLU E 47 120.559 -1.691 -17.070 1.00 0.00 C ATOM 867 CD GLU E 47 119.631 -2.622 -17.855 1.00 0.00 C ATOM 868 OE1 GLU E 47 118.767 -3.225 -17.237 1.00 0.00 O ATOM 869 OE2 GLU E 47 119.796 -2.717 -19.061 1.00 0.00 O ATOM 0 H GLU E 47 121.894 -0.989 -15.290 1.00 0.00 H new ATOM 0 HA GLU E 47 121.097 1.154 -16.972 1.00 0.00 H new ATOM 0 HB2 GLU E 47 119.193 -0.821 -15.657 1.00 0.00 H new ATOM 0 HB3 GLU E 47 119.096 -0.128 -17.264 1.00 0.00 H new ATOM 0 HG2 GLU E 47 121.360 -1.337 -17.719 1.00 0.00 H new ATOM 0 HG3 GLU E 47 121.029 -2.241 -16.255 1.00 0.00 H new ATOM 876 N ALA E 48 119.996 1.055 -13.857 1.00 0.00 N ATOM 877 CA ALA E 48 119.322 1.845 -12.849 1.00 0.00 C ATOM 878 C ALA E 48 120.118 3.117 -12.606 1.00 0.00 C ATOM 879 O ALA E 48 119.559 4.161 -12.274 1.00 0.00 O ATOM 880 CB ALA E 48 119.126 1.064 -11.555 1.00 0.00 C ATOM 0 H ALA E 48 120.404 0.182 -13.522 1.00 0.00 H new ATOM 0 HA ALA E 48 118.326 2.101 -13.210 1.00 0.00 H new ATOM 0 HB1 ALA E 48 118.617 1.692 -10.824 1.00 0.00 H new ATOM 0 HB2 ALA E 48 118.524 0.177 -11.753 1.00 0.00 H new ATOM 0 HB3 ALA E 48 120.097 0.763 -11.161 1.00 0.00 H new ATOM 886 N LYS E 49 121.433 3.015 -12.825 1.00 0.00 N ATOM 887 CA LYS E 49 122.315 4.158 -12.688 1.00 0.00 C ATOM 888 C LYS E 49 121.983 5.134 -13.810 1.00 0.00 C ATOM 889 O LYS E 49 121.857 6.339 -13.582 1.00 0.00 O ATOM 890 CB LYS E 49 123.783 3.714 -12.767 1.00 0.00 C ATOM 891 CG LYS E 49 124.540 4.037 -11.460 1.00 0.00 C ATOM 892 CD LYS E 49 124.787 2.744 -10.674 1.00 0.00 C ATOM 893 CE LYS E 49 123.858 2.707 -9.471 1.00 0.00 C ATOM 894 NZ LYS E 49 122.456 2.998 -9.894 1.00 0.00 N ATOM 0 H LYS E 49 121.901 2.150 -13.097 1.00 0.00 H new ATOM 0 HA LYS E 49 122.172 4.637 -11.720 1.00 0.00 H new ATOM 0 HB2 LYS E 49 123.831 2.643 -12.962 1.00 0.00 H new ATOM 0 HB3 LYS E 49 124.271 4.212 -13.605 1.00 0.00 H new ATOM 0 HG2 LYS E 49 125.489 4.522 -11.688 1.00 0.00 H new ATOM 0 HG3 LYS E 49 123.961 4.736 -10.856 1.00 0.00 H new ATOM 0 HD2 LYS E 49 124.611 1.877 -11.311 1.00 0.00 H new ATOM 0 HD3 LYS E 49 125.826 2.695 -10.348 1.00 0.00 H new ATOM 0 HE2 LYS E 49 123.906 1.728 -8.995 1.00 0.00 H new ATOM 0 HE3 LYS E 49 124.181 3.438 -8.730 1.00 0.00 H new ATOM 0 HZ1 LYS E 49 121.794 2.619 -9.187 1.00 0.00 H new ATOM 0 HZ2 LYS E 49 122.324 4.026 -9.975 1.00 0.00 H new ATOM 0 HZ3 LYS E 49 122.272 2.552 -10.815 1.00 0.00 H new ATOM 908 N LYS E 50 121.779 4.583 -15.022 1.00 0.00 N ATOM 909 CA LYS E 50 121.384 5.402 -16.168 1.00 0.00 C ATOM 910 C LYS E 50 120.054 6.065 -15.825 1.00 0.00 C ATOM 911 O LYS E 50 119.825 7.227 -16.151 1.00 0.00 O ATOM 912 CB LYS E 50 121.225 4.547 -17.438 1.00 0.00 C ATOM 913 CG LYS E 50 122.592 4.034 -17.913 1.00 0.00 C ATOM 914 CD LYS E 50 122.418 3.236 -19.216 1.00 0.00 C ATOM 915 CE LYS E 50 123.704 2.464 -19.534 1.00 0.00 C ATOM 916 NZ LYS E 50 123.693 2.048 -20.966 1.00 0.00 N ATOM 0 H LYS E 50 121.881 3.589 -15.225 1.00 0.00 H new ATOM 0 HA LYS E 50 122.155 6.146 -16.368 1.00 0.00 H new ATOM 0 HB2 LYS E 50 120.563 3.705 -17.236 1.00 0.00 H new ATOM 0 HB3 LYS E 50 120.758 5.138 -18.226 1.00 0.00 H new ATOM 0 HG2 LYS E 50 123.270 4.872 -18.075 1.00 0.00 H new ATOM 0 HG3 LYS E 50 123.042 3.404 -17.146 1.00 0.00 H new ATOM 0 HD2 LYS E 50 121.583 2.543 -19.119 1.00 0.00 H new ATOM 0 HD3 LYS E 50 122.177 3.912 -20.037 1.00 0.00 H new ATOM 0 HE2 LYS E 50 124.575 3.088 -19.332 1.00 0.00 H new ATOM 0 HE3 LYS E 50 123.784 1.588 -18.890 1.00 0.00 H new ATOM 0 HZ1 LYS E 50 124.565 1.524 -21.182 1.00 0.00 H new ATOM 0 HZ2 LYS E 50 122.870 1.438 -21.144 1.00 0.00 H new ATOM 0 HZ3 LYS E 50 123.636 2.891 -21.572 1.00 0.00 H new ATOM 930 N LEU E 51 119.208 5.308 -15.111 1.00 0.00 N ATOM 931 CA LEU E 51 117.914 5.807 -14.651 1.00 0.00 C ATOM 932 C LEU E 51 118.148 6.932 -13.646 1.00 0.00 C ATOM 933 O LEU E 51 117.443 7.945 -13.657 1.00 0.00 O ATOM 934 CB LEU E 51 117.139 4.679 -13.954 1.00 0.00 C ATOM 935 CG LEU E 51 115.899 4.237 -14.744 1.00 0.00 C ATOM 936 CD1 LEU E 51 114.865 5.376 -14.808 1.00 0.00 C ATOM 937 CD2 LEU E 51 116.289 3.791 -16.165 1.00 0.00 C ATOM 0 H LEU E 51 119.403 4.344 -14.841 1.00 0.00 H new ATOM 0 HA LEU E 51 117.342 6.170 -15.505 1.00 0.00 H new ATOM 0 HB2 LEU E 51 117.799 3.823 -13.813 1.00 0.00 H new ATOM 0 HB3 LEU E 51 116.833 5.012 -12.962 1.00 0.00 H new ATOM 0 HG LEU E 51 115.451 3.389 -14.227 1.00 0.00 H new ATOM 0 HD11 LEU E 51 113.993 5.045 -15.372 1.00 0.00 H new ATOM 0 HD12 LEU E 51 114.561 5.649 -13.797 1.00 0.00 H new ATOM 0 HD13 LEU E 51 115.308 6.242 -15.300 1.00 0.00 H new ATOM 0 HD21 LEU E 51 115.395 3.482 -16.707 1.00 0.00 H new ATOM 0 HD22 LEU E 51 116.763 4.621 -16.689 1.00 0.00 H new ATOM 0 HD23 LEU E 51 116.985 2.954 -16.106 1.00 0.00 H new ATOM 949 N ASN E 52 119.156 6.733 -12.778 1.00 0.00 N ATOM 950 CA ASN E 52 119.513 7.719 -11.758 1.00 0.00 C ATOM 951 C ASN E 52 119.795 9.058 -12.440 1.00 0.00 C ATOM 952 O ASN E 52 119.381 10.116 -11.957 1.00 0.00 O ATOM 953 CB ASN E 52 120.748 7.242 -10.955 1.00 0.00 C ATOM 954 CG ASN E 52 120.902 8.079 -9.683 1.00 0.00 C ATOM 955 OD1 ASN E 52 119.989 8.137 -8.860 1.00 0.00 O ATOM 956 ND2 ASN E 52 122.009 8.735 -9.471 1.00 0.00 N ATOM 0 H ASN E 52 119.736 5.894 -12.768 1.00 0.00 H new ATOM 0 HA ASN E 52 118.686 7.838 -11.058 1.00 0.00 H new ATOM 0 HB2 ASN E 52 120.639 6.189 -10.696 1.00 0.00 H new ATOM 0 HB3 ASN E 52 121.646 7.328 -11.568 1.00 0.00 H new ATOM 0 HD21 ASN E 52 122.116 9.294 -8.625 1.00 0.00 H new ATOM 0 HD22 ASN E 52 122.767 8.689 -10.151 1.00 0.00 H new ATOM 963 N ASP E 53 120.465 8.979 -13.595 1.00 0.00 N ATOM 964 CA ASP E 53 120.774 10.157 -14.400 1.00 0.00 C ATOM 965 C ASP E 53 119.550 10.568 -15.235 1.00 0.00 C ATOM 966 O ASP E 53 119.350 11.747 -15.532 1.00 0.00 O ATOM 967 CB ASP E 53 121.958 9.856 -15.329 1.00 0.00 C ATOM 968 CG ASP E 53 122.374 11.122 -16.081 1.00 0.00 C ATOM 969 OD1 ASP E 53 123.127 11.903 -15.518 1.00 0.00 O ATOM 970 OD2 ASP E 53 121.934 11.294 -17.207 1.00 0.00 O ATOM 0 H ASP E 53 120.804 8.103 -13.992 1.00 0.00 H new ATOM 0 HA ASP E 53 121.038 10.978 -13.734 1.00 0.00 H new ATOM 0 HB2 ASP E 53 122.798 9.477 -14.748 1.00 0.00 H new ATOM 0 HB3 ASP E 53 121.683 9.076 -16.039 1.00 0.00 H new ATOM 975 N ALA E 54 118.754 9.565 -15.627 1.00 0.00 N ATOM 976 CA ALA E 54 117.555 9.783 -16.448 1.00 0.00 C ATOM 977 C ALA E 54 116.492 10.591 -15.704 1.00 0.00 C ATOM 978 O ALA E 54 115.706 11.305 -16.331 1.00 0.00 O ATOM 979 CB ALA E 54 116.951 8.431 -16.865 1.00 0.00 C ATOM 0 H ALA E 54 118.920 8.588 -15.387 1.00 0.00 H new ATOM 0 HA ALA E 54 117.864 10.349 -17.327 1.00 0.00 H new ATOM 0 HB1 ALA E 54 116.063 8.601 -17.473 1.00 0.00 H new ATOM 0 HB2 ALA E 54 117.684 7.868 -17.443 1.00 0.00 H new ATOM 0 HB3 ALA E 54 116.678 7.864 -15.975 1.00 0.00 H new ATOM 985 N GLN E 55 116.465 10.458 -14.372 1.00 0.00 N ATOM 986 CA GLN E 55 115.478 11.164 -13.546 1.00 0.00 C ATOM 987 C GLN E 55 116.168 12.105 -12.560 1.00 0.00 C ATOM 988 O GLN E 55 115.530 12.672 -11.666 1.00 0.00 O ATOM 989 CB GLN E 55 114.591 10.153 -12.808 1.00 0.00 C ATOM 990 CG GLN E 55 113.936 9.221 -13.844 1.00 0.00 C ATOM 991 CD GLN E 55 112.777 8.416 -13.243 1.00 0.00 C ATOM 992 OE1 GLN E 55 112.224 7.544 -13.914 1.00 0.00 O ATOM 993 NE2 GLN E 55 112.359 8.658 -12.032 1.00 0.00 N ATOM 0 H GLN E 55 117.112 9.871 -13.845 1.00 0.00 H new ATOM 0 HA GLN E 55 114.847 11.769 -14.197 1.00 0.00 H new ATOM 0 HB2 GLN E 55 115.186 9.574 -12.102 1.00 0.00 H new ATOM 0 HB3 GLN E 55 113.826 10.672 -12.230 1.00 0.00 H new ATOM 0 HG2 GLN E 55 113.569 9.813 -14.683 1.00 0.00 H new ATOM 0 HG3 GLN E 55 114.686 8.536 -14.240 1.00 0.00 H new ATOM 0 HE21 GLN E 55 112.812 9.379 -11.471 1.00 0.00 H new ATOM 0 HE22 GLN E 55 111.579 8.126 -11.646 1.00 0.00 H new ATOM 1002 N ALA E 56 117.477 12.248 -12.742 1.00 0.00 N ATOM 1003 CA ALA E 56 118.302 13.088 -11.904 1.00 0.00 C ATOM 1004 C ALA E 56 117.797 14.531 -11.867 1.00 0.00 C ATOM 1005 O ALA E 56 117.033 14.961 -12.735 1.00 0.00 O ATOM 1006 CB ALA E 56 119.743 13.048 -12.422 1.00 0.00 C ATOM 0 H ALA E 56 117.993 11.776 -13.485 1.00 0.00 H new ATOM 0 HA ALA E 56 118.257 12.705 -10.885 1.00 0.00 H new ATOM 0 HB1 ALA E 56 120.373 13.679 -11.795 1.00 0.00 H new ATOM 0 HB2 ALA E 56 120.112 12.023 -12.391 1.00 0.00 H new ATOM 0 HB3 ALA E 56 119.771 13.413 -13.449 1.00 0.00 H new ATOM 1013 N GLY F 14 120.130 10.535 9.538 1.00 0.00 N ATOM 1014 CA GLY F 14 119.201 9.929 10.497 1.00 0.00 C ATOM 1015 C GLY F 14 119.369 8.425 10.555 1.00 0.00 C ATOM 1016 O GLY F 14 120.344 7.879 10.041 1.00 0.00 O ATOM 0 HA2 GLY F 14 119.369 10.354 11.487 1.00 0.00 H new ATOM 0 HA3 GLY F 14 118.176 10.171 10.216 1.00 0.00 H new ATOM 1020 N GLU F 15 118.409 7.763 11.195 1.00 0.00 N ATOM 1021 CA GLU F 15 118.446 6.320 11.331 1.00 0.00 C ATOM 1022 C GLU F 15 118.331 5.668 9.971 1.00 0.00 C ATOM 1023 O GLU F 15 117.604 6.153 9.102 1.00 0.00 O ATOM 1024 CB GLU F 15 117.286 5.836 12.196 1.00 0.00 C ATOM 1025 CG GLU F 15 117.525 4.376 12.606 1.00 0.00 C ATOM 1026 CD GLU F 15 116.373 3.814 13.466 1.00 0.00 C ATOM 1027 OE1 GLU F 15 115.402 4.522 13.706 1.00 0.00 O ATOM 1028 OE2 GLU F 15 116.484 2.669 13.874 1.00 0.00 O ATOM 0 H GLU F 15 117.598 8.208 11.626 1.00 0.00 H new ATOM 0 HA GLU F 15 119.392 6.049 11.799 1.00 0.00 H new ATOM 0 HB2 GLU F 15 117.194 6.463 13.083 1.00 0.00 H new ATOM 0 HB3 GLU F 15 116.349 5.921 11.646 1.00 0.00 H new ATOM 0 HG2 GLU F 15 117.640 3.764 11.712 1.00 0.00 H new ATOM 0 HG3 GLU F 15 118.459 4.305 13.163 1.00 0.00 H new ATOM 1035 N ILE F 16 119.032 4.558 9.808 1.00 0.00 N ATOM 1036 CA ILE F 16 118.997 3.811 8.563 1.00 0.00 C ATOM 1037 C ILE F 16 118.430 2.417 8.810 1.00 0.00 C ATOM 1038 O ILE F 16 118.669 1.812 9.859 1.00 0.00 O ATOM 1039 CB ILE F 16 120.397 3.721 7.964 1.00 0.00 C ATOM 1040 CG1 ILE F 16 120.951 5.144 7.710 1.00 0.00 C ATOM 1041 CG2 ILE F 16 120.329 2.928 6.648 1.00 0.00 C ATOM 1042 CD1 ILE F 16 122.288 5.087 6.948 1.00 0.00 C ATOM 0 H ILE F 16 119.634 4.154 10.525 1.00 0.00 H new ATOM 0 HA ILE F 16 118.352 4.330 7.854 1.00 0.00 H new ATOM 0 HB ILE F 16 121.065 3.210 8.657 1.00 0.00 H new ATOM 0 HG12 ILE F 16 120.227 5.724 7.138 1.00 0.00 H new ATOM 0 HG13 ILE F 16 121.092 5.659 8.661 1.00 0.00 H new ATOM 0 HG21 ILE F 16 121.326 2.859 6.213 1.00 0.00 H new ATOM 0 HG22 ILE F 16 119.949 1.926 6.846 1.00 0.00 H new ATOM 0 HG23 ILE F 16 119.663 3.437 5.951 1.00 0.00 H new ATOM 0 HD11 ILE F 16 122.656 6.100 6.782 1.00 0.00 H new ATOM 0 HD12 ILE F 16 123.017 4.527 7.534 1.00 0.00 H new ATOM 0 HD13 ILE F 16 122.139 4.594 5.988 1.00 0.00 H new ATOM 1054 N VAL F 17 117.658 1.938 7.836 1.00 0.00 N ATOM 1055 CA VAL F 17 117.007 0.634 7.919 1.00 0.00 C ATOM 1056 C VAL F 17 117.394 -0.245 6.729 1.00 0.00 C ATOM 1057 O VAL F 17 117.082 0.090 5.587 1.00 0.00 O ATOM 1058 CB VAL F 17 115.492 0.891 7.930 1.00 0.00 C ATOM 1059 CG1 VAL F 17 114.701 -0.382 7.587 1.00 0.00 C ATOM 1060 CG2 VAL F 17 115.080 1.402 9.318 1.00 0.00 C ATOM 0 H VAL F 17 117.467 2.442 6.970 1.00 0.00 H new ATOM 0 HA VAL F 17 117.319 0.106 8.820 1.00 0.00 H new ATOM 0 HB VAL F 17 115.263 1.638 7.170 1.00 0.00 H new ATOM 0 HG11 VAL F 17 113.633 -0.163 7.604 1.00 0.00 H new ATOM 0 HG12 VAL F 17 114.984 -0.730 6.593 1.00 0.00 H new ATOM 0 HG13 VAL F 17 114.924 -1.157 8.320 1.00 0.00 H new ATOM 0 HG21 VAL F 17 114.006 1.587 9.334 1.00 0.00 H new ATOM 0 HG22 VAL F 17 115.331 0.654 10.070 1.00 0.00 H new ATOM 0 HG23 VAL F 17 115.611 2.329 9.537 1.00 0.00 H new ATOM 1070 N TYR F 18 118.052 -1.378 7.015 1.00 0.00 N ATOM 1071 CA TYR F 18 118.471 -2.320 5.970 1.00 0.00 C ATOM 1072 C TYR F 18 117.443 -3.426 5.814 1.00 0.00 C ATOM 1073 O TYR F 18 116.937 -3.959 6.807 1.00 0.00 O ATOM 1074 CB TYR F 18 119.851 -2.917 6.314 1.00 0.00 C ATOM 1075 CG TYR F 18 120.937 -2.086 5.659 1.00 0.00 C ATOM 1076 CD1 TYR F 18 120.870 -0.689 5.708 1.00 0.00 C ATOM 1077 CD2 TYR F 18 121.997 -2.708 4.985 1.00 0.00 C ATOM 1078 CE1 TYR F 18 121.850 0.082 5.088 1.00 0.00 C ATOM 1079 CE2 TYR F 18 122.980 -1.931 4.364 1.00 0.00 C ATOM 1080 CZ TYR F 18 122.905 -0.536 4.414 1.00 0.00 C ATOM 1081 OH TYR F 18 123.875 0.231 3.798 1.00 0.00 O ATOM 0 H TYR F 18 118.305 -1.663 7.961 1.00 0.00 H new ATOM 0 HA TYR F 18 118.548 -1.782 5.025 1.00 0.00 H new ATOM 0 HB2 TYR F 18 119.993 -2.934 7.395 1.00 0.00 H new ATOM 0 HB3 TYR F 18 119.909 -3.949 5.968 1.00 0.00 H new ATOM 0 HD1 TYR F 18 120.055 -0.207 6.228 1.00 0.00 H new ATOM 0 HD2 TYR F 18 122.054 -3.786 4.945 1.00 0.00 H new ATOM 0 HE1 TYR F 18 121.794 1.160 5.129 1.00 0.00 H new ATOM 0 HE2 TYR F 18 123.798 -2.409 3.845 1.00 0.00 H new ATOM 0 HH TYR F 18 123.508 0.627 2.980 1.00 0.00 H new ATOM 1091 N LEU F 19 117.118 -3.735 4.554 1.00 0.00 N ATOM 1092 CA LEU F 19 116.106 -4.757 4.247 1.00 0.00 C ATOM 1093 C LEU F 19 116.672 -5.874 3.346 1.00 0.00 C ATOM 1094 O LEU F 19 116.397 -5.908 2.141 1.00 0.00 O ATOM 1095 CB LEU F 19 114.893 -4.080 3.573 1.00 0.00 C ATOM 1096 CG LEU F 19 114.465 -2.829 4.371 1.00 0.00 C ATOM 1097 CD1 LEU F 19 113.486 -1.992 3.544 1.00 0.00 C ATOM 1098 CD2 LEU F 19 113.797 -3.253 5.687 1.00 0.00 C ATOM 0 H LEU F 19 117.537 -3.296 3.734 1.00 0.00 H new ATOM 0 HA LEU F 19 115.796 -5.228 5.180 1.00 0.00 H new ATOM 0 HB2 LEU F 19 115.147 -3.798 2.551 1.00 0.00 H new ATOM 0 HB3 LEU F 19 114.062 -4.783 3.513 1.00 0.00 H new ATOM 0 HG LEU F 19 115.349 -2.231 4.593 1.00 0.00 H new ATOM 0 HD11 LEU F 19 113.189 -1.111 4.114 1.00 0.00 H new ATOM 0 HD12 LEU F 19 113.967 -1.679 2.617 1.00 0.00 H new ATOM 0 HD13 LEU F 19 112.604 -2.588 3.311 1.00 0.00 H new ATOM 0 HD21 LEU F 19 113.497 -2.366 6.245 1.00 0.00 H new ATOM 0 HD22 LEU F 19 112.918 -3.859 5.470 1.00 0.00 H new ATOM 0 HD23 LEU F 19 114.501 -3.835 6.281 1.00 0.00 H new ATOM 1110 N PRO F 20 117.442 -6.795 3.907 1.00 0.00 N ATOM 1111 CA PRO F 20 118.030 -7.934 3.143 1.00 0.00 C ATOM 1112 C PRO F 20 117.063 -9.123 3.044 1.00 0.00 C ATOM 1113 O PRO F 20 116.687 -9.537 1.944 1.00 0.00 O ATOM 1114 CB PRO F 20 119.277 -8.292 3.960 1.00 0.00 C ATOM 1115 CG PRO F 20 118.953 -7.916 5.374 1.00 0.00 C ATOM 1116 CD PRO F 20 117.844 -6.852 5.327 1.00 0.00 C ATOM 0 HA PRO F 20 118.252 -7.676 2.108 1.00 0.00 H new ATOM 0 HB2 PRO F 20 119.507 -9.354 3.880 1.00 0.00 H new ATOM 0 HB3 PRO F 20 120.151 -7.749 3.600 1.00 0.00 H new ATOM 0 HG2 PRO F 20 118.623 -8.789 5.937 1.00 0.00 H new ATOM 0 HG3 PRO F 20 119.837 -7.527 5.879 1.00 0.00 H new ATOM 0 HD2 PRO F 20 117.004 -7.126 5.966 1.00 0.00 H new ATOM 0 HD3 PRO F 20 118.207 -5.885 5.675 1.00 0.00 H new ATOM 1124 N ASN F 21 116.672 -9.662 4.204 1.00 0.00 N ATOM 1125 CA ASN F 21 115.753 -10.804 4.262 1.00 0.00 C ATOM 1126 C ASN F 21 114.399 -10.471 3.629 1.00 0.00 C ATOM 1127 O ASN F 21 113.679 -11.371 3.188 1.00 0.00 O ATOM 1128 CB ASN F 21 115.543 -11.233 5.722 1.00 0.00 C ATOM 1129 CG ASN F 21 116.848 -11.757 6.331 1.00 0.00 C ATOM 1130 OD1 ASN F 21 117.743 -12.216 5.617 1.00 0.00 O ATOM 1131 ND2 ASN F 21 117.006 -11.717 7.623 1.00 0.00 N ATOM 0 H ASN F 21 116.978 -9.325 5.117 1.00 0.00 H new ATOM 0 HA ASN F 21 116.202 -11.620 3.696 1.00 0.00 H new ATOM 0 HB2 ASN F 21 115.179 -10.387 6.305 1.00 0.00 H new ATOM 0 HB3 ASN F 21 114.777 -12.007 5.771 1.00 0.00 H new ATOM 0 HD21 ASN F 21 117.868 -12.065 8.042 1.00 0.00 H new ATOM 0 HD22 ASN F 21 116.267 -11.338 8.216 1.00 0.00 H new ATOM 1138 N LEU F 22 114.057 -9.179 3.606 1.00 0.00 N ATOM 1139 CA LEU F 22 112.783 -8.714 3.046 1.00 0.00 C ATOM 1140 C LEU F 22 112.612 -9.178 1.596 1.00 0.00 C ATOM 1141 O LEU F 22 113.596 -9.309 0.861 1.00 0.00 O ATOM 1142 CB LEU F 22 112.746 -7.180 3.101 1.00 0.00 C ATOM 1143 CG LEU F 22 111.322 -6.675 3.416 1.00 0.00 C ATOM 1144 CD1 LEU F 22 111.230 -6.245 4.895 1.00 0.00 C ATOM 1145 CD2 LEU F 22 110.992 -5.483 2.501 1.00 0.00 C ATOM 0 H LEU F 22 114.648 -8.432 3.971 1.00 0.00 H new ATOM 0 HA LEU F 22 111.968 -9.136 3.634 1.00 0.00 H new ATOM 0 HB2 LEU F 22 113.440 -6.822 3.862 1.00 0.00 H new ATOM 0 HB3 LEU F 22 113.079 -6.770 2.148 1.00 0.00 H new ATOM 0 HG LEU F 22 110.606 -7.477 3.240 1.00 0.00 H new ATOM 0 HD11 LEU F 22 110.222 -5.890 5.109 1.00 0.00 H new ATOM 0 HD12 LEU F 22 111.458 -7.096 5.536 1.00 0.00 H new ATOM 0 HD13 LEU F 22 111.945 -5.445 5.086 1.00 0.00 H new ATOM 0 HD21 LEU F 22 109.987 -5.123 2.720 1.00 0.00 H new ATOM 0 HD22 LEU F 22 111.710 -4.682 2.674 1.00 0.00 H new ATOM 0 HD23 LEU F 22 111.045 -5.799 1.459 1.00 0.00 H new ATOM 1157 N ASN F 23 111.357 -9.408 1.189 1.00 0.00 N ATOM 1158 CA ASN F 23 111.066 -9.842 -0.177 1.00 0.00 C ATOM 1159 C ASN F 23 110.932 -8.617 -1.086 1.00 0.00 C ATOM 1160 O ASN F 23 110.524 -7.549 -0.623 1.00 0.00 O ATOM 1161 CB ASN F 23 109.767 -10.657 -0.204 1.00 0.00 C ATOM 1162 CG ASN F 23 109.997 -12.029 0.426 1.00 0.00 C ATOM 1163 OD1 ASN F 23 109.981 -13.045 -0.269 1.00 0.00 O ATOM 1164 ND2 ASN F 23 110.210 -12.121 1.709 1.00 0.00 N ATOM 0 H ASN F 23 110.535 -9.301 1.783 1.00 0.00 H new ATOM 0 HA ASN F 23 111.882 -10.469 -0.535 1.00 0.00 H new ATOM 0 HB2 ASN F 23 108.984 -10.126 0.337 1.00 0.00 H new ATOM 0 HB3 ASN F 23 109.422 -10.773 -1.232 1.00 0.00 H new ATOM 0 HD21 ASN F 23 110.363 -13.034 2.136 1.00 0.00 H new ATOM 0 HD22 ASN F 23 110.223 -11.280 2.285 1.00 0.00 H new ATOM 1171 N PRO F 24 111.260 -8.731 -2.360 1.00 0.00 N ATOM 1172 CA PRO F 24 111.152 -7.578 -3.303 1.00 0.00 C ATOM 1173 C PRO F 24 109.725 -7.045 -3.366 1.00 0.00 C ATOM 1174 O PRO F 24 109.507 -5.838 -3.491 1.00 0.00 O ATOM 1175 CB PRO F 24 111.599 -8.145 -4.659 1.00 0.00 C ATOM 1176 CG PRO F 24 112.340 -9.402 -4.345 1.00 0.00 C ATOM 1177 CD PRO F 24 111.761 -9.941 -3.040 1.00 0.00 C ATOM 0 HA PRO F 24 111.764 -6.732 -2.990 1.00 0.00 H new ATOM 0 HB2 PRO F 24 110.742 -8.346 -5.302 1.00 0.00 H new ATOM 0 HB3 PRO F 24 112.236 -7.437 -5.189 1.00 0.00 H new ATOM 0 HG2 PRO F 24 112.225 -10.129 -5.149 1.00 0.00 H new ATOM 0 HG3 PRO F 24 113.407 -9.206 -4.243 1.00 0.00 H new ATOM 0 HD2 PRO F 24 110.962 -10.659 -3.222 1.00 0.00 H new ATOM 0 HD3 PRO F 24 112.519 -10.451 -2.445 1.00 0.00 H new ATOM 1185 N ASP F 25 108.757 -7.959 -3.239 1.00 0.00 N ATOM 1186 CA ASP F 25 107.345 -7.582 -3.240 1.00 0.00 C ATOM 1187 C ASP F 25 107.093 -6.635 -2.076 1.00 0.00 C ATOM 1188 O ASP F 25 106.421 -5.608 -2.217 1.00 0.00 O ATOM 1189 CB ASP F 25 106.474 -8.833 -3.067 1.00 0.00 C ATOM 1190 CG ASP F 25 106.644 -9.789 -4.259 1.00 0.00 C ATOM 1191 OD1 ASP F 25 106.560 -9.329 -5.392 1.00 0.00 O ATOM 1192 OD2 ASP F 25 106.838 -10.970 -4.022 1.00 0.00 O ATOM 0 H ASP F 25 108.927 -8.959 -3.135 1.00 0.00 H new ATOM 0 HA ASP F 25 107.095 -7.097 -4.184 1.00 0.00 H new ATOM 0 HB2 ASP F 25 106.745 -9.345 -2.144 1.00 0.00 H new ATOM 0 HB3 ASP F 25 105.427 -8.543 -2.975 1.00 0.00 H new ATOM 1197 N GLN F 26 107.678 -6.993 -0.933 1.00 0.00 N ATOM 1198 CA GLN F 26 107.570 -6.188 0.268 1.00 0.00 C ATOM 1199 C GLN F 26 108.280 -4.847 0.061 1.00 0.00 C ATOM 1200 O GLN F 26 107.799 -3.812 0.531 1.00 0.00 O ATOM 1201 CB GLN F 26 108.164 -6.948 1.461 1.00 0.00 C ATOM 1202 CG GLN F 26 107.309 -8.184 1.785 1.00 0.00 C ATOM 1203 CD GLN F 26 105.883 -7.779 2.172 1.00 0.00 C ATOM 1204 OE1 GLN F 26 104.920 -8.402 1.726 1.00 0.00 O ATOM 1205 NE2 GLN F 26 105.688 -6.770 2.978 1.00 0.00 N ATOM 0 H GLN F 26 108.233 -7.841 -0.821 1.00 0.00 H new ATOM 0 HA GLN F 26 106.519 -5.989 0.479 1.00 0.00 H new ATOM 0 HB2 GLN F 26 109.186 -7.253 1.234 1.00 0.00 H new ATOM 0 HB3 GLN F 26 108.213 -6.293 2.331 1.00 0.00 H new ATOM 0 HG2 GLN F 26 107.281 -8.848 0.921 1.00 0.00 H new ATOM 0 HG3 GLN F 26 107.766 -8.743 2.601 1.00 0.00 H new ATOM 0 HE21 GLN F 26 106.485 -6.252 3.349 1.00 0.00 H new ATOM 0 HE22 GLN F 26 104.739 -6.500 3.237 1.00 0.00 H new ATOM 1214 N LEU F 27 109.412 -4.868 -0.665 1.00 0.00 N ATOM 1215 CA LEU F 27 110.158 -3.635 -0.946 1.00 0.00 C ATOM 1216 C LEU F 27 109.309 -2.689 -1.792 1.00 0.00 C ATOM 1217 O LEU F 27 109.333 -1.478 -1.589 1.00 0.00 O ATOM 1218 CB LEU F 27 111.475 -3.929 -1.693 1.00 0.00 C ATOM 1219 CG LEU F 27 112.553 -4.465 -0.732 1.00 0.00 C ATOM 1220 CD1 LEU F 27 113.783 -4.914 -1.536 1.00 0.00 C ATOM 1221 CD2 LEU F 27 112.974 -3.360 0.253 1.00 0.00 C ATOM 0 H LEU F 27 109.823 -5.713 -1.061 1.00 0.00 H new ATOM 0 HA LEU F 27 110.396 -3.171 0.011 1.00 0.00 H new ATOM 0 HB2 LEU F 27 111.293 -4.658 -2.483 1.00 0.00 H new ATOM 0 HB3 LEU F 27 111.834 -3.020 -2.175 1.00 0.00 H new ATOM 0 HG LEU F 27 112.144 -5.310 -0.178 1.00 0.00 H new ATOM 0 HD11 LEU F 27 114.545 -5.293 -0.855 1.00 0.00 H new ATOM 0 HD12 LEU F 27 113.495 -5.702 -2.232 1.00 0.00 H new ATOM 0 HD13 LEU F 27 114.183 -4.066 -2.092 1.00 0.00 H new ATOM 0 HD21 LEU F 27 113.736 -3.747 0.929 1.00 0.00 H new ATOM 0 HD22 LEU F 27 113.377 -2.512 -0.302 1.00 0.00 H new ATOM 0 HD23 LEU F 27 112.107 -3.037 0.830 1.00 0.00 H new ATOM 1233 N CYS F 28 108.559 -3.255 -2.740 1.00 0.00 N ATOM 1234 CA CYS F 28 107.700 -2.449 -3.611 1.00 0.00 C ATOM 1235 C CYS F 28 106.631 -1.747 -2.780 1.00 0.00 C ATOM 1236 O CYS F 28 106.435 -0.534 -2.902 1.00 0.00 O ATOM 1237 CB CYS F 28 107.045 -3.340 -4.676 1.00 0.00 C ATOM 1238 SG CYS F 28 106.339 -2.306 -5.984 1.00 0.00 S ATOM 0 H CYS F 28 108.528 -4.258 -2.923 1.00 0.00 H new ATOM 0 HA CYS F 28 108.308 -1.696 -4.112 1.00 0.00 H new ATOM 0 HB2 CYS F 28 107.783 -4.023 -5.097 1.00 0.00 H new ATOM 0 HB3 CYS F 28 106.266 -3.953 -4.223 1.00 0.00 H new ATOM 1243 N ALA F 29 105.962 -2.520 -1.920 1.00 0.00 N ATOM 1244 CA ALA F 29 104.929 -1.974 -1.043 1.00 0.00 C ATOM 1245 C ALA F 29 105.552 -0.964 -0.079 1.00 0.00 C ATOM 1246 O ALA F 29 104.944 0.059 0.249 1.00 0.00 O ATOM 1247 CB ALA F 29 104.270 -3.108 -0.248 1.00 0.00 C ATOM 0 H ALA F 29 106.118 -3.522 -1.814 1.00 0.00 H new ATOM 0 HA ALA F 29 104.173 -1.474 -1.649 1.00 0.00 H new ATOM 0 HB1 ALA F 29 103.500 -2.695 0.404 1.00 0.00 H new ATOM 0 HB2 ALA F 29 103.817 -3.821 -0.938 1.00 0.00 H new ATOM 0 HB3 ALA F 29 105.023 -3.615 0.355 1.00 0.00 H new ATOM 1253 N PHE F 30 106.774 -1.273 0.364 1.00 0.00 N ATOM 1254 CA PHE F 30 107.503 -0.408 1.288 1.00 0.00 C ATOM 1255 C PHE F 30 107.827 0.935 0.634 1.00 0.00 C ATOM 1256 O PHE F 30 107.501 1.987 1.181 1.00 0.00 O ATOM 1257 CB PHE F 30 108.803 -1.119 1.719 1.00 0.00 C ATOM 1258 CG PHE F 30 109.688 -0.187 2.527 1.00 0.00 C ATOM 1259 CD1 PHE F 30 109.194 0.413 3.694 1.00 0.00 C ATOM 1260 CD2 PHE F 30 111.007 0.079 2.108 1.00 0.00 C ATOM 1261 CE1 PHE F 30 110.004 1.271 4.437 1.00 0.00 C ATOM 1262 CE2 PHE F 30 111.814 0.938 2.858 1.00 0.00 C ATOM 1263 CZ PHE F 30 111.312 1.534 4.022 1.00 0.00 C ATOM 0 H PHE F 30 107.278 -2.118 0.095 1.00 0.00 H new ATOM 0 HA PHE F 30 106.882 -0.213 2.162 1.00 0.00 H new ATOM 0 HB2 PHE F 30 108.560 -2.001 2.311 1.00 0.00 H new ATOM 0 HB3 PHE F 30 109.342 -1.466 0.837 1.00 0.00 H new ATOM 0 HD1 PHE F 30 108.184 0.210 4.018 1.00 0.00 H new ATOM 0 HD2 PHE F 30 111.393 -0.380 1.210 1.00 0.00 H new ATOM 0 HE1 PHE F 30 109.620 1.733 5.334 1.00 0.00 H new ATOM 0 HE2 PHE F 30 112.826 1.143 2.540 1.00 0.00 H new ATOM 0 HZ PHE F 30 111.937 2.198 4.600 1.00 0.00 H new ATOM 1273 N ILE F 31 108.470 0.890 -0.533 1.00 0.00 N ATOM 1274 CA ILE F 31 108.846 2.111 -1.250 1.00 0.00 C ATOM 1275 C ILE F 31 107.616 2.947 -1.602 1.00 0.00 C ATOM 1276 O ILE F 31 107.668 4.180 -1.559 1.00 0.00 O ATOM 1277 CB ILE F 31 109.666 1.756 -2.503 1.00 0.00 C ATOM 1278 CG1 ILE F 31 110.983 1.100 -2.051 1.00 0.00 C ATOM 1279 CG2 ILE F 31 109.986 3.028 -3.312 1.00 0.00 C ATOM 1280 CD1 ILE F 31 111.751 0.552 -3.253 1.00 0.00 C ATOM 0 H ILE F 31 108.741 0.025 -1.001 1.00 0.00 H new ATOM 0 HA ILE F 31 109.469 2.721 -0.596 1.00 0.00 H new ATOM 0 HB ILE F 31 109.093 1.075 -3.133 1.00 0.00 H new ATOM 0 HG12 ILE F 31 111.596 1.830 -1.523 1.00 0.00 H new ATOM 0 HG13 ILE F 31 110.772 0.293 -1.349 1.00 0.00 H new ATOM 0 HG21 ILE F 31 110.566 2.761 -4.195 1.00 0.00 H new ATOM 0 HG22 ILE F 31 109.056 3.507 -3.620 1.00 0.00 H new ATOM 0 HG23 ILE F 31 110.562 3.717 -2.694 1.00 0.00 H new ATOM 0 HD11 ILE F 31 112.679 0.092 -2.913 1.00 0.00 H new ATOM 0 HD12 ILE F 31 111.142 -0.194 -3.764 1.00 0.00 H new ATOM 0 HD13 ILE F 31 111.980 1.366 -3.940 1.00 0.00 H new ATOM 1292 N HIS F 32 106.513 2.271 -1.933 1.00 0.00 N ATOM 1293 CA HIS F 32 105.269 2.963 -2.271 1.00 0.00 C ATOM 1294 C HIS F 32 104.789 3.806 -1.083 1.00 0.00 C ATOM 1295 O HIS F 32 104.340 4.941 -1.261 1.00 0.00 O ATOM 1296 CB HIS F 32 104.190 1.939 -2.659 1.00 0.00 C ATOM 1297 CG HIS F 32 102.959 2.652 -3.161 1.00 0.00 C ATOM 1298 ND1 HIS F 32 102.102 3.336 -2.313 1.00 0.00 N ATOM 1299 CD2 HIS F 32 102.431 2.794 -4.422 1.00 0.00 C ATOM 1300 CE1 HIS F 32 101.113 3.854 -3.066 1.00 0.00 C ATOM 1301 NE2 HIS F 32 101.266 3.554 -4.358 1.00 0.00 N ATOM 0 H HIS F 32 106.457 1.253 -1.974 1.00 0.00 H new ATOM 0 HA HIS F 32 105.454 3.625 -3.117 1.00 0.00 H new ATOM 0 HB2 HIS F 32 104.572 1.270 -3.430 1.00 0.00 H new ATOM 0 HB3 HIS F 32 103.937 1.321 -1.797 1.00 0.00 H new ATOM 0 HD2 HIS F 32 102.855 2.379 -5.325 1.00 0.00 H new ATOM 0 HE1 HIS F 32 100.296 4.441 -2.673 1.00 0.00 H new ATOM 0 HE2 HIS F 32 100.659 3.824 -5.132 1.00 0.00 H new ATOM 1310 N SER F 33 104.886 3.233 0.125 1.00 0.00 N ATOM 1311 CA SER F 33 104.454 3.933 1.338 1.00 0.00 C ATOM 1312 C SER F 33 105.379 5.117 1.667 1.00 0.00 C ATOM 1313 O SER F 33 104.901 6.161 2.119 1.00 0.00 O ATOM 1314 CB SER F 33 104.391 2.953 2.520 1.00 0.00 C ATOM 1315 OG SER F 33 105.703 2.634 2.964 1.00 0.00 O ATOM 0 H SER F 33 105.256 2.296 0.285 1.00 0.00 H new ATOM 0 HA SER F 33 103.457 4.336 1.157 1.00 0.00 H new ATOM 0 HB2 SER F 33 103.820 3.394 3.337 1.00 0.00 H new ATOM 0 HB3 SER F 33 103.869 2.044 2.221 1.00 0.00 H new ATOM 0 HG SER F 33 106.208 2.230 2.228 1.00 0.00 H new ATOM 1321 N LEU F 34 106.697 4.957 1.429 1.00 0.00 N ATOM 1322 CA LEU F 34 107.657 6.039 1.700 1.00 0.00 C ATOM 1323 C LEU F 34 107.306 7.270 0.859 1.00 0.00 C ATOM 1324 O LEU F 34 107.328 8.400 1.351 1.00 0.00 O ATOM 1325 CB LEU F 34 109.099 5.611 1.345 1.00 0.00 C ATOM 1326 CG LEU F 34 109.540 4.371 2.146 1.00 0.00 C ATOM 1327 CD1 LEU F 34 110.903 3.865 1.620 1.00 0.00 C ATOM 1328 CD2 LEU F 34 109.663 4.735 3.633 1.00 0.00 C ATOM 0 H LEU F 34 107.113 4.103 1.056 1.00 0.00 H new ATOM 0 HA LEU F 34 107.600 6.269 2.764 1.00 0.00 H new ATOM 0 HB2 LEU F 34 109.162 5.396 0.278 1.00 0.00 H new ATOM 0 HB3 LEU F 34 109.783 6.436 1.545 1.00 0.00 H new ATOM 0 HG LEU F 34 108.796 3.584 2.027 1.00 0.00 H new ATOM 0 HD11 LEU F 34 111.210 2.988 2.190 1.00 0.00 H new ATOM 0 HD12 LEU F 34 110.811 3.599 0.567 1.00 0.00 H new ATOM 0 HD13 LEU F 34 111.650 4.650 1.732 1.00 0.00 H new ATOM 0 HD21 LEU F 34 109.975 3.857 4.198 1.00 0.00 H new ATOM 0 HD22 LEU F 34 110.403 5.526 3.754 1.00 0.00 H new ATOM 0 HD23 LEU F 34 108.698 5.081 4.004 1.00 0.00 H new ATOM 1340 N HIS F 35 106.996 7.025 -0.416 1.00 0.00 N ATOM 1341 CA HIS F 35 106.652 8.094 -1.357 1.00 0.00 C ATOM 1342 C HIS F 35 105.263 8.681 -1.070 1.00 0.00 C ATOM 1343 O HIS F 35 105.105 9.903 -1.005 1.00 0.00 O ATOM 1344 CB HIS F 35 106.698 7.541 -2.791 1.00 0.00 C ATOM 1345 CG HIS F 35 106.536 8.662 -3.786 1.00 0.00 C ATOM 1346 ND1 HIS F 35 105.303 9.008 -4.317 1.00 0.00 N ATOM 1347 CD2 HIS F 35 107.443 9.523 -4.356 1.00 0.00 C ATOM 1348 CE1 HIS F 35 105.498 10.035 -5.164 1.00 0.00 C ATOM 1349 NE2 HIS F 35 106.785 10.389 -5.225 1.00 0.00 N ATOM 0 H HIS F 35 106.976 6.090 -0.823 1.00 0.00 H new ATOM 0 HA HIS F 35 107.379 8.897 -1.240 1.00 0.00 H new ATOM 0 HB2 HIS F 35 107.645 7.028 -2.961 1.00 0.00 H new ATOM 0 HB3 HIS F 35 105.907 6.804 -2.930 1.00 0.00 H new ATOM 0 HD2 HIS F 35 108.505 9.527 -4.160 1.00 0.00 H new ATOM 0 HE1 HIS F 35 104.710 10.515 -5.726 1.00 0.00 H new ATOM 0 HE2 HIS F 35 107.197 11.134 -5.787 1.00 0.00 H new ATOM 1358 N ASP F 36 104.263 7.802 -0.934 1.00 0.00 N ATOM 1359 CA ASP F 36 102.883 8.236 -0.690 1.00 0.00 C ATOM 1360 C ASP F 36 102.762 9.050 0.601 1.00 0.00 C ATOM 1361 O ASP F 36 102.010 10.028 0.651 1.00 0.00 O ATOM 1362 CB ASP F 36 101.955 7.016 -0.612 1.00 0.00 C ATOM 1363 CG ASP F 36 100.493 7.460 -0.715 1.00 0.00 C ATOM 1364 OD1 ASP F 36 100.023 7.629 -1.830 1.00 0.00 O ATOM 1365 OD2 ASP F 36 99.867 7.629 0.318 1.00 0.00 O ATOM 0 H ASP F 36 104.383 6.791 -0.989 1.00 0.00 H new ATOM 0 HA ASP F 36 102.589 8.875 -1.522 1.00 0.00 H new ATOM 0 HB2 ASP F 36 102.189 6.319 -1.417 1.00 0.00 H new ATOM 0 HB3 ASP F 36 102.117 6.485 0.326 1.00 0.00 H new ATOM 1370 N ASP F 37 103.492 8.629 1.640 1.00 0.00 N ATOM 1371 CA ASP F 37 103.457 9.313 2.941 1.00 0.00 C ATOM 1372 C ASP F 37 104.883 9.546 3.473 1.00 0.00 C ATOM 1373 O ASP F 37 105.387 8.756 4.282 1.00 0.00 O ATOM 1374 CB ASP F 37 102.647 8.470 3.939 1.00 0.00 C ATOM 1375 CG ASP F 37 101.219 8.265 3.426 1.00 0.00 C ATOM 1376 OD1 ASP F 37 100.450 9.212 3.474 1.00 0.00 O ATOM 1377 OD2 ASP F 37 100.917 7.164 2.992 1.00 0.00 O ATOM 0 H ASP F 37 104.113 7.820 1.607 1.00 0.00 H new ATOM 0 HA ASP F 37 102.980 10.285 2.817 1.00 0.00 H new ATOM 0 HB2 ASP F 37 103.130 7.504 4.086 1.00 0.00 H new ATOM 0 HB3 ASP F 37 102.624 8.966 4.910 1.00 0.00 H new ATOM 1382 N PRO F 38 105.543 10.606 3.033 1.00 0.00 N ATOM 1383 CA PRO F 38 106.938 10.929 3.478 1.00 0.00 C ATOM 1384 C PRO F 38 107.058 11.003 5.003 1.00 0.00 C ATOM 1385 O PRO F 38 108.023 10.499 5.579 1.00 0.00 O ATOM 1386 CB PRO F 38 107.228 12.295 2.839 1.00 0.00 C ATOM 1387 CG PRO F 38 106.283 12.409 1.689 1.00 0.00 C ATOM 1388 CD PRO F 38 105.040 11.606 2.069 1.00 0.00 C ATOM 0 HA PRO F 38 107.646 10.157 3.176 1.00 0.00 H new ATOM 0 HB2 PRO F 38 107.074 13.103 3.554 1.00 0.00 H new ATOM 0 HB3 PRO F 38 108.263 12.359 2.504 1.00 0.00 H new ATOM 0 HG2 PRO F 38 106.028 13.451 1.498 1.00 0.00 H new ATOM 0 HG3 PRO F 38 106.733 12.019 0.776 1.00 0.00 H new ATOM 0 HD2 PRO F 38 104.275 12.241 2.515 1.00 0.00 H new ATOM 0 HD3 PRO F 38 104.590 11.130 1.198 1.00 0.00 H new ATOM 1396 N SER F 39 106.067 11.628 5.641 1.00 0.00 N ATOM 1397 CA SER F 39 106.060 11.766 7.099 1.00 0.00 C ATOM 1398 C SER F 39 106.075 10.394 7.777 1.00 0.00 C ATOM 1399 O SER F 39 106.733 10.208 8.804 1.00 0.00 O ATOM 1400 CB SER F 39 104.817 12.544 7.544 1.00 0.00 C ATOM 1401 OG SER F 39 104.782 13.798 6.873 1.00 0.00 O ATOM 0 H SER F 39 105.262 12.045 5.174 1.00 0.00 H new ATOM 0 HA SER F 39 106.957 12.310 7.394 1.00 0.00 H new ATOM 0 HB2 SER F 39 103.916 11.973 7.319 1.00 0.00 H new ATOM 0 HB3 SER F 39 104.836 12.696 8.623 1.00 0.00 H new ATOM 0 HG SER F 39 103.987 14.297 7.154 1.00 0.00 H new ATOM 1407 N GLN F 40 105.340 9.443 7.191 1.00 0.00 N ATOM 1408 CA GLN F 40 105.256 8.086 7.733 1.00 0.00 C ATOM 1409 C GLN F 40 106.520 7.276 7.472 1.00 0.00 C ATOM 1410 O GLN F 40 106.675 6.211 8.053 1.00 0.00 O ATOM 1411 CB GLN F 40 104.070 7.339 7.111 1.00 0.00 C ATOM 1412 CG GLN F 40 102.758 7.980 7.567 1.00 0.00 C ATOM 1413 CD GLN F 40 101.552 7.321 6.888 1.00 0.00 C ATOM 1414 OE1 GLN F 40 101.700 6.396 6.086 1.00 0.00 O ATOM 1415 NE2 GLN F 40 100.356 7.756 7.162 1.00 0.00 N ATOM 0 H GLN F 40 104.795 9.590 6.341 1.00 0.00 H new ATOM 0 HA GLN F 40 105.127 8.190 8.810 1.00 0.00 H new ATOM 0 HB2 GLN F 40 104.141 7.367 6.024 1.00 0.00 H new ATOM 0 HB3 GLN F 40 104.094 6.290 7.405 1.00 0.00 H new ATOM 0 HG2 GLN F 40 102.663 7.890 8.649 1.00 0.00 H new ATOM 0 HG3 GLN F 40 102.771 9.045 7.336 1.00 0.00 H new ATOM 0 HE21 GLN F 40 100.231 8.521 7.825 1.00 0.00 H new ATOM 0 HE22 GLN F 40 99.544 7.332 6.714 1.00 0.00 H new ATOM 1424 N SER F 41 107.396 7.748 6.570 1.00 0.00 N ATOM 1425 CA SER F 41 108.615 6.994 6.224 1.00 0.00 C ATOM 1426 C SER F 41 109.352 6.504 7.474 1.00 0.00 C ATOM 1427 O SER F 41 109.794 5.359 7.526 1.00 0.00 O ATOM 1428 CB SER F 41 109.553 7.863 5.382 1.00 0.00 C ATOM 1429 OG SER F 41 110.041 8.940 6.173 1.00 0.00 O ATOM 0 H SER F 41 107.288 8.633 6.074 1.00 0.00 H new ATOM 0 HA SER F 41 108.308 6.121 5.648 1.00 0.00 H new ATOM 0 HB2 SER F 41 110.385 7.264 5.011 1.00 0.00 H new ATOM 0 HB3 SER F 41 109.024 8.249 4.510 1.00 0.00 H new ATOM 0 HG SER F 41 109.303 9.547 6.390 1.00 0.00 H new ATOM 1435 N ALA F 42 109.458 7.377 8.469 1.00 0.00 N ATOM 1436 CA ALA F 42 110.126 7.038 9.728 1.00 0.00 C ATOM 1437 C ALA F 42 109.416 5.872 10.428 1.00 0.00 C ATOM 1438 O ALA F 42 110.063 4.902 10.833 1.00 0.00 O ATOM 1439 CB ALA F 42 110.144 8.260 10.653 1.00 0.00 C ATOM 0 H ALA F 42 109.090 8.328 8.432 1.00 0.00 H new ATOM 0 HA ALA F 42 111.148 6.735 9.502 1.00 0.00 H new ATOM 0 HB1 ALA F 42 110.642 8.002 11.588 1.00 0.00 H new ATOM 0 HB2 ALA F 42 110.682 9.075 10.169 1.00 0.00 H new ATOM 0 HB3 ALA F 42 109.121 8.574 10.862 1.00 0.00 H new ATOM 1445 N ASN F 43 108.086 5.966 10.555 1.00 0.00 N ATOM 1446 CA ASN F 43 107.307 4.898 11.197 1.00 0.00 C ATOM 1447 C ASN F 43 107.365 3.626 10.355 1.00 0.00 C ATOM 1448 O ASN F 43 107.508 2.521 10.883 1.00 0.00 O ATOM 1449 CB ASN F 43 105.850 5.334 11.374 1.00 0.00 C ATOM 1450 CG ASN F 43 105.767 6.482 12.376 1.00 0.00 C ATOM 1451 OD1 ASN F 43 105.361 7.591 12.026 1.00 0.00 O ATOM 1452 ND2 ASN F 43 106.124 6.278 13.613 1.00 0.00 N ATOM 0 H ASN F 43 107.533 6.758 10.227 1.00 0.00 H new ATOM 0 HA ASN F 43 107.738 4.698 12.178 1.00 0.00 H new ATOM 0 HB2 ASN F 43 105.436 5.647 10.415 1.00 0.00 H new ATOM 0 HB3 ASN F 43 105.250 4.493 11.721 1.00 0.00 H new ATOM 0 HD21 ASN F 43 106.067 7.037 14.292 1.00 0.00 H new ATOM 0 HD22 ASN F 43 106.460 5.359 13.902 1.00 0.00 H new ATOM 1459 N LEU F 44 107.268 3.808 9.037 1.00 0.00 N ATOM 1460 CA LEU F 44 107.322 2.699 8.090 1.00 0.00 C ATOM 1461 C LEU F 44 108.672 2.011 8.191 1.00 0.00 C ATOM 1462 O LEU F 44 108.768 0.797 8.031 1.00 0.00 O ATOM 1463 CB LEU F 44 107.118 3.219 6.663 1.00 0.00 C ATOM 1464 CG LEU F 44 105.691 3.774 6.500 1.00 0.00 C ATOM 1465 CD1 LEU F 44 105.636 4.707 5.281 1.00 0.00 C ATOM 1466 CD2 LEU F 44 104.709 2.609 6.306 1.00 0.00 C ATOM 0 H LEU F 44 107.151 4.722 8.601 1.00 0.00 H new ATOM 0 HA LEU F 44 106.531 1.988 8.327 1.00 0.00 H new ATOM 0 HB2 LEU F 44 107.847 3.999 6.444 1.00 0.00 H new ATOM 0 HB3 LEU F 44 107.288 2.415 5.947 1.00 0.00 H new ATOM 0 HG LEU F 44 105.415 4.335 7.393 1.00 0.00 H new ATOM 0 HD11 LEU F 44 104.625 5.098 5.168 1.00 0.00 H new ATOM 0 HD12 LEU F 44 106.331 5.534 5.424 1.00 0.00 H new ATOM 0 HD13 LEU F 44 105.912 4.151 4.385 1.00 0.00 H new ATOM 0 HD21 LEU F 44 103.698 3.000 6.190 1.00 0.00 H new ATOM 0 HD22 LEU F 44 104.984 2.046 5.414 1.00 0.00 H new ATOM 0 HD23 LEU F 44 104.747 1.953 7.175 1.00 0.00 H new ATOM 1478 N LEU F 45 109.708 2.805 8.465 1.00 0.00 N ATOM 1479 CA LEU F 45 111.060 2.280 8.608 1.00 0.00 C ATOM 1480 C LEU F 45 111.116 1.310 9.784 1.00 0.00 C ATOM 1481 O LEU F 45 111.764 0.268 9.704 1.00 0.00 O ATOM 1482 CB LEU F 45 112.057 3.435 8.836 1.00 0.00 C ATOM 1483 CG LEU F 45 113.007 3.551 7.636 1.00 0.00 C ATOM 1484 CD1 LEU F 45 112.247 4.101 6.415 1.00 0.00 C ATOM 1485 CD2 LEU F 45 114.169 4.503 7.975 1.00 0.00 C ATOM 0 H LEU F 45 109.633 3.814 8.592 1.00 0.00 H new ATOM 0 HA LEU F 45 111.333 1.753 7.694 1.00 0.00 H new ATOM 0 HB2 LEU F 45 111.516 4.371 8.975 1.00 0.00 H new ATOM 0 HB3 LEU F 45 112.628 3.259 9.747 1.00 0.00 H new ATOM 0 HG LEU F 45 113.401 2.561 7.406 1.00 0.00 H new ATOM 0 HD11 LEU F 45 112.928 4.180 5.568 1.00 0.00 H new ATOM 0 HD12 LEU F 45 111.429 3.426 6.161 1.00 0.00 H new ATOM 0 HD13 LEU F 45 111.845 5.086 6.650 1.00 0.00 H new ATOM 0 HD21 LEU F 45 114.838 4.580 7.118 1.00 0.00 H new ATOM 0 HD22 LEU F 45 113.773 5.490 8.215 1.00 0.00 H new ATOM 0 HD23 LEU F 45 114.719 4.115 8.832 1.00 0.00 H new ATOM 1497 N ALA F 46 110.420 1.664 10.866 1.00 0.00 N ATOM 1498 CA ALA F 46 110.385 0.823 12.057 1.00 0.00 C ATOM 1499 C ALA F 46 109.724 -0.517 11.745 1.00 0.00 C ATOM 1500 O ALA F 46 110.271 -1.573 12.072 1.00 0.00 O ATOM 1501 CB ALA F 46 109.611 1.532 13.175 1.00 0.00 C ATOM 0 H ALA F 46 109.876 2.524 10.939 1.00 0.00 H new ATOM 0 HA ALA F 46 111.409 0.642 12.384 1.00 0.00 H new ATOM 0 HB1 ALA F 46 109.589 0.898 14.061 1.00 0.00 H new ATOM 0 HB2 ALA F 46 110.102 2.475 13.416 1.00 0.00 H new ATOM 0 HB3 ALA F 46 108.591 1.728 12.844 1.00 0.00 H new ATOM 1507 N GLU F 47 108.546 -0.469 11.108 1.00 0.00 N ATOM 1508 CA GLU F 47 107.834 -1.699 10.762 1.00 0.00 C ATOM 1509 C GLU F 47 108.577 -2.475 9.689 1.00 0.00 C ATOM 1510 O GLU F 47 108.663 -3.690 9.769 1.00 0.00 O ATOM 1511 CB GLU F 47 106.434 -1.412 10.245 1.00 0.00 C ATOM 1512 CG GLU F 47 105.579 -0.772 11.341 1.00 0.00 C ATOM 1513 CD GLU F 47 104.143 -0.585 10.844 1.00 0.00 C ATOM 1514 OE1 GLU F 47 103.923 0.324 10.060 1.00 0.00 O ATOM 1515 OE2 GLU F 47 103.286 -1.354 11.253 1.00 0.00 O ATOM 0 H GLU F 47 108.076 0.392 10.828 1.00 0.00 H new ATOM 0 HA GLU F 47 107.772 -2.286 11.679 1.00 0.00 H new ATOM 0 HB2 GLU F 47 106.487 -0.747 9.383 1.00 0.00 H new ATOM 0 HB3 GLU F 47 105.968 -2.337 9.906 1.00 0.00 H new ATOM 0 HG2 GLU F 47 105.585 -1.400 12.232 1.00 0.00 H new ATOM 0 HG3 GLU F 47 106.002 0.191 11.627 1.00 0.00 H new ATOM 1522 N ALA F 48 109.109 -1.764 8.684 1.00 0.00 N ATOM 1523 CA ALA F 48 109.851 -2.395 7.586 1.00 0.00 C ATOM 1524 C ALA F 48 111.068 -3.117 8.145 1.00 0.00 C ATOM 1525 O ALA F 48 111.336 -4.274 7.813 1.00 0.00 O ATOM 1526 CB ALA F 48 110.299 -1.325 6.585 1.00 0.00 C ATOM 0 H ALA F 48 109.038 -0.749 8.610 1.00 0.00 H new ATOM 0 HA ALA F 48 109.207 -3.113 7.078 1.00 0.00 H new ATOM 0 HB1 ALA F 48 110.850 -1.796 5.771 1.00 0.00 H new ATOM 0 HB2 ALA F 48 109.424 -0.814 6.183 1.00 0.00 H new ATOM 0 HB3 ALA F 48 110.942 -0.603 7.088 1.00 0.00 H new ATOM 1532 N LYS F 49 111.767 -2.428 9.041 1.00 0.00 N ATOM 1533 CA LYS F 49 112.919 -2.995 9.703 1.00 0.00 C ATOM 1534 C LYS F 49 112.470 -4.174 10.578 1.00 0.00 C ATOM 1535 O LYS F 49 113.171 -5.183 10.684 1.00 0.00 O ATOM 1536 CB LYS F 49 113.592 -1.922 10.565 1.00 0.00 C ATOM 1537 CG LYS F 49 114.945 -2.442 11.068 1.00 0.00 C ATOM 1538 CD LYS F 49 115.177 -1.983 12.516 1.00 0.00 C ATOM 1539 CE LYS F 49 115.531 -0.491 12.549 1.00 0.00 C ATOM 1540 NZ LYS F 49 115.836 -0.085 13.952 1.00 0.00 N ATOM 0 H LYS F 49 111.548 -1.472 9.321 1.00 0.00 H new ATOM 0 HA LYS F 49 113.634 -3.352 8.962 1.00 0.00 H new ATOM 0 HB2 LYS F 49 113.734 -1.011 9.984 1.00 0.00 H new ATOM 0 HB3 LYS F 49 112.953 -1.665 11.410 1.00 0.00 H new ATOM 0 HG2 LYS F 49 114.969 -3.530 11.014 1.00 0.00 H new ATOM 0 HG3 LYS F 49 115.747 -2.074 10.428 1.00 0.00 H new ATOM 0 HD2 LYS F 49 114.282 -2.165 13.111 1.00 0.00 H new ATOM 0 HD3 LYS F 49 115.982 -2.565 12.965 1.00 0.00 H new ATOM 0 HE2 LYS F 49 116.390 -0.296 11.907 1.00 0.00 H new ATOM 0 HE3 LYS F 49 114.702 0.100 12.160 1.00 0.00 H new ATOM 0 HZ1 LYS F 49 116.076 0.927 13.976 1.00 0.00 H new ATOM 0 HZ2 LYS F 49 115.004 -0.258 14.552 1.00 0.00 H new ATOM 0 HZ3 LYS F 49 116.640 -0.640 14.307 1.00 0.00 H new ATOM 1554 N LYS F 50 111.275 -4.037 11.182 1.00 0.00 N ATOM 1555 CA LYS F 50 110.716 -5.093 12.024 1.00 0.00 C ATOM 1556 C LYS F 50 110.346 -6.268 11.143 1.00 0.00 C ATOM 1557 O LYS F 50 110.478 -7.427 11.527 1.00 0.00 O ATOM 1558 CB LYS F 50 109.480 -4.551 12.766 1.00 0.00 C ATOM 1559 CG LYS F 50 108.751 -5.664 13.542 1.00 0.00 C ATOM 1560 CD LYS F 50 107.534 -6.166 12.742 1.00 0.00 C ATOM 1561 CE LYS F 50 106.354 -5.203 12.921 1.00 0.00 C ATOM 1562 NZ LYS F 50 105.167 -5.733 12.190 1.00 0.00 N ATOM 0 H LYS F 50 110.687 -3.208 11.099 1.00 0.00 H new ATOM 0 HA LYS F 50 111.445 -5.420 12.765 1.00 0.00 H new ATOM 0 HB2 LYS F 50 109.785 -3.765 13.457 1.00 0.00 H new ATOM 0 HB3 LYS F 50 108.795 -4.097 12.050 1.00 0.00 H new ATOM 0 HG2 LYS F 50 109.435 -6.491 13.733 1.00 0.00 H new ATOM 0 HG3 LYS F 50 108.427 -5.288 14.512 1.00 0.00 H new ATOM 0 HD2 LYS F 50 107.791 -6.247 11.686 1.00 0.00 H new ATOM 0 HD3 LYS F 50 107.254 -7.164 13.079 1.00 0.00 H new ATOM 0 HE2 LYS F 50 106.121 -5.088 13.980 1.00 0.00 H new ATOM 0 HE3 LYS F 50 106.616 -4.215 12.543 1.00 0.00 H new ATOM 0 HZ1 LYS F 50 104.366 -5.081 12.310 1.00 0.00 H new ATOM 0 HZ2 LYS F 50 105.393 -5.821 11.179 1.00 0.00 H new ATOM 0 HZ3 LYS F 50 104.914 -6.667 12.571 1.00 0.00 H new ATOM 1576 N LEU F 51 109.888 -5.937 9.943 1.00 0.00 N ATOM 1577 CA LEU F 51 109.492 -6.930 8.967 1.00 0.00 C ATOM 1578 C LEU F 51 110.703 -7.755 8.563 1.00 0.00 C ATOM 1579 O LEU F 51 110.613 -8.972 8.412 1.00 0.00 O ATOM 1580 CB LEU F 51 108.894 -6.217 7.752 1.00 0.00 C ATOM 1581 CG LEU F 51 107.923 -7.141 7.016 1.00 0.00 C ATOM 1582 CD1 LEU F 51 106.729 -7.466 7.930 1.00 0.00 C ATOM 1583 CD2 LEU F 51 107.438 -6.423 5.756 1.00 0.00 C ATOM 0 H LEU F 51 109.783 -4.974 9.624 1.00 0.00 H new ATOM 0 HA LEU F 51 108.744 -7.600 9.391 1.00 0.00 H new ATOM 0 HB2 LEU F 51 108.375 -5.314 8.072 1.00 0.00 H new ATOM 0 HB3 LEU F 51 109.691 -5.905 7.077 1.00 0.00 H new ATOM 0 HG LEU F 51 108.418 -8.073 6.744 1.00 0.00 H new ATOM 0 HD11 LEU F 51 106.037 -8.125 7.405 1.00 0.00 H new ATOM 0 HD12 LEU F 51 107.086 -7.961 8.833 1.00 0.00 H new ATOM 0 HD13 LEU F 51 106.216 -6.543 8.201 1.00 0.00 H new ATOM 0 HD21 LEU F 51 106.743 -7.066 5.216 1.00 0.00 H new ATOM 0 HD22 LEU F 51 106.934 -5.498 6.036 1.00 0.00 H new ATOM 0 HD23 LEU F 51 108.291 -6.193 5.117 1.00 0.00 H new ATOM 1595 N ASN F 52 111.846 -7.074 8.434 1.00 0.00 N ATOM 1596 CA ASN F 52 113.101 -7.741 8.099 1.00 0.00 C ATOM 1597 C ASN F 52 113.389 -8.784 9.189 1.00 0.00 C ATOM 1598 O ASN F 52 113.796 -9.912 8.895 1.00 0.00 O ATOM 1599 CB ASN F 52 114.232 -6.683 7.979 1.00 0.00 C ATOM 1600 CG ASN F 52 115.449 -7.051 8.822 1.00 0.00 C ATOM 1601 OD1 ASN F 52 116.351 -7.750 8.362 1.00 0.00 O ATOM 1602 ND2 ASN F 52 115.512 -6.617 10.043 1.00 0.00 N ATOM 0 H ASN F 52 111.925 -6.064 8.557 1.00 0.00 H new ATOM 0 HA ASN F 52 113.038 -8.252 7.138 1.00 0.00 H new ATOM 0 HB2 ASN F 52 114.530 -6.587 6.935 1.00 0.00 H new ATOM 0 HB3 ASN F 52 113.854 -5.710 8.293 1.00 0.00 H new ATOM 0 HD21 ASN F 52 116.313 -6.855 10.628 1.00 0.00 H new ATOM 0 HD22 ASN F 52 114.761 -6.038 10.418 1.00 0.00 H new ATOM 1609 N ASP F 53 113.136 -8.388 10.442 1.00 0.00 N ATOM 1610 CA ASP F 53 113.320 -9.271 11.593 1.00 0.00 C ATOM 1611 C ASP F 53 112.242 -10.363 11.602 1.00 0.00 C ATOM 1612 O ASP F 53 112.493 -11.497 12.019 1.00 0.00 O ATOM 1613 CB ASP F 53 113.243 -8.461 12.901 1.00 0.00 C ATOM 1614 CG ASP F 53 114.369 -7.417 12.968 1.00 0.00 C ATOM 1615 OD1 ASP F 53 115.519 -7.786 12.764 1.00 0.00 O ATOM 1616 OD2 ASP F 53 114.067 -6.263 13.231 1.00 0.00 O ATOM 0 H ASP F 53 112.801 -7.455 10.682 1.00 0.00 H new ATOM 0 HA ASP F 53 114.302 -9.738 11.517 1.00 0.00 H new ATOM 0 HB2 ASP F 53 112.276 -7.963 12.968 1.00 0.00 H new ATOM 0 HB3 ASP F 53 113.315 -9.134 13.755 1.00 0.00 H new ATOM 1621 N ALA F 54 111.039 -9.995 11.150 1.00 0.00 N ATOM 1622 CA ALA F 54 109.898 -10.917 11.107 1.00 0.00 C ATOM 1623 C ALA F 54 110.056 -11.975 10.011 1.00 0.00 C ATOM 1624 O ALA F 54 109.624 -13.119 10.181 1.00 0.00 O ATOM 1625 CB ALA F 54 108.604 -10.130 10.866 1.00 0.00 C ATOM 0 H ALA F 54 110.829 -9.058 10.806 1.00 0.00 H new ATOM 0 HA ALA F 54 109.856 -11.430 12.068 1.00 0.00 H new ATOM 0 HB1 ALA F 54 107.760 -10.819 10.835 1.00 0.00 H new ATOM 0 HB2 ALA F 54 108.458 -9.413 11.674 1.00 0.00 H new ATOM 0 HB3 ALA F 54 108.673 -9.598 9.917 1.00 0.00 H new ATOM 1631 N GLN F 55 110.669 -11.582 8.888 1.00 0.00 N ATOM 1632 CA GLN F 55 110.876 -12.493 7.754 1.00 0.00 C ATOM 1633 C GLN F 55 112.251 -13.149 7.834 1.00 0.00 C ATOM 1634 O GLN F 55 112.590 -14.011 7.020 1.00 0.00 O ATOM 1635 CB GLN F 55 110.754 -11.726 6.431 1.00 0.00 C ATOM 1636 CG GLN F 55 109.339 -11.154 6.298 1.00 0.00 C ATOM 1637 CD GLN F 55 109.156 -10.516 4.922 1.00 0.00 C ATOM 1638 OE1 GLN F 55 108.754 -11.187 3.974 1.00 0.00 O ATOM 1639 NE2 GLN F 55 109.439 -9.256 4.756 1.00 0.00 N ATOM 0 H GLN F 55 111.030 -10.640 8.740 1.00 0.00 H new ATOM 0 HA GLN F 55 110.111 -13.268 7.797 1.00 0.00 H new ATOM 0 HB2 GLN F 55 111.488 -10.921 6.397 1.00 0.00 H new ATOM 0 HB3 GLN F 55 110.969 -12.389 5.593 1.00 0.00 H new ATOM 0 HG2 GLN F 55 108.604 -11.946 6.441 1.00 0.00 H new ATOM 0 HG3 GLN F 55 109.164 -10.412 7.077 1.00 0.00 H new ATOM 0 HE21 GLN F 55 109.773 -8.700 5.544 1.00 0.00 H new ATOM 0 HE22 GLN F 55 109.327 -8.825 3.838 1.00 0.00 H new ATOM 1648 N ALA F 56 113.035 -12.714 8.815 1.00 0.00 N ATOM 1649 CA ALA F 56 114.380 -13.219 9.024 1.00 0.00 C ATOM 1650 C ALA F 56 114.387 -14.724 9.301 1.00 0.00 C ATOM 1651 O ALA F 56 113.339 -15.340 9.515 1.00 0.00 O ATOM 1652 CB ALA F 56 115.019 -12.476 10.203 1.00 0.00 C ATOM 0 H ALA F 56 112.752 -12.000 9.486 1.00 0.00 H new ATOM 0 HA ALA F 56 114.952 -13.048 8.112 1.00 0.00 H new ATOM 0 HB1 ALA F 56 116.030 -12.851 10.365 1.00 0.00 H new ATOM 0 HB2 ALA F 56 115.059 -11.409 9.982 1.00 0.00 H new ATOM 0 HB3 ALA F 56 114.423 -12.639 11.101 1.00 0.00 H new