USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=17 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= -1.13 K(o=-2.4,f=-13!) USER MOD Set 1.2: F 55 GLN : amide:sc= -1.31 K(o=-2.4,f=-11!) USER MOD Set 2.1: E 23 ASN :FLIP amide:sc= -0.135 F(o=-2.7,f=-0.5) USER MOD Set 2.2: E 55 GLN : amide:sc= -0.367 K(o=-0.5,f=-1.4) USER MOD Single : C 28 LYS NZ :NH3+ -162:sc= -0.0296 (180deg=-0.375) USER MOD Single : C 35 MET CE :methyl 153:sc= -0.225 (180deg=-1.57!) USER MOD Single : E 18 TYR OH : rot 141:sc= 1.11 USER MOD Single : E 21 ASN : amide:sc= -1.59 X(o=-1.6,f=-1.3) USER MOD Single : E 26 GLN :FLIP amide:sc= -0.979 F(o=-2.6!,f=-0.98) USER MOD Single : E 32 HIS : no HE2:sc= 0.371 K(o=0.37,f=-3.6!) USER MOD Single : E 33 SER OG : rot 160:sc= -0.433 USER MOD Single : E 35 HIS : no HD1:sc= -0.69 X(o=-0.69,f=-0.54) USER MOD Single : E 39 SER OG : rot 180:sc= 0 USER MOD Single : E 40 GLN : amide:sc= -0.18 X(o=-0.18,f=0) USER MOD Single : E 41 SER OG : rot -91:sc= 0.89 USER MOD Single : E 43 ASN : amide:sc= -0.0224 X(o=-0.022,f=0) USER MOD Single : E 49 LYS NZ :NH3+ -117:sc= 0.791 (180deg=-0.481) USER MOD Single : E 50 LYS NZ :NH3+ 166:sc= -0.0159 (180deg=-0.282) USER MOD Single : E 52 ASN : amide:sc= -0.124 K(o=-0.12,f=-1.8) USER MOD Single : F 18 TYR OH : rot 135:sc= 0.755 USER MOD Single : F 21 ASN : amide:sc= -0.633 X(o=-0.63,f=-1) USER MOD Single : F 26 GLN :FLIP amide:sc= -0.966 F(o=-2.6,f=-0.97) USER MOD Single : F 32 HIS : no HD1:sc= -0.224 K(o=-0.22,f=-4!) USER MOD Single : F 33 SER OG : rot 76:sc= 1.19 USER MOD Single : F 35 HIS : no HD1:sc= -0.524 X(o=-0.52,f=-0.52) USER MOD Single : F 39 SER OG : rot 180:sc= 0 USER MOD Single : F 40 GLN : amide:sc= -0.835 K(o=-0.84,f=-2.5) USER MOD Single : F 41 SER OG : rot -76:sc= 0.866 USER MOD Single : F 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : F 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : F 50 LYS NZ :NH3+ 167:sc= 1 (180deg=0.877) USER MOD Single : F 52 ASN : amide:sc= -0.0749 K(o=-0.075,f=-0.94) USER MOD ----------------------------------------------------------------- ATOM 23 N LEU C 17 122.951 -7.773 -2.915 1.00 0.00 N ATOM 24 CA LEU C 17 122.193 -6.520 -3.030 1.00 0.00 C ATOM 25 C LEU C 17 121.293 -6.339 -1.810 1.00 0.00 C ATOM 26 O LEU C 17 120.572 -7.264 -1.423 1.00 0.00 O ATOM 27 CB LEU C 17 121.311 -6.517 -4.300 1.00 0.00 C ATOM 28 CG LEU C 17 121.965 -5.752 -5.475 1.00 0.00 C ATOM 29 CD1 LEU C 17 122.377 -4.330 -5.071 1.00 0.00 C ATOM 30 CD2 LEU C 17 123.184 -6.526 -5.992 1.00 0.00 C ATOM 0 HA LEU C 17 122.911 -5.703 -3.092 1.00 0.00 H new ATOM 0 HB2 LEU C 17 121.115 -7.545 -4.605 1.00 0.00 H new ATOM 0 HB3 LEU C 17 120.347 -6.064 -4.068 1.00 0.00 H new ATOM 0 HG LEU C 17 121.223 -5.668 -6.269 1.00 0.00 H new ATOM 0 HD11 LEU C 17 122.832 -3.827 -5.924 1.00 0.00 H new ATOM 0 HD12 LEU C 17 121.497 -3.774 -4.749 1.00 0.00 H new ATOM 0 HD13 LEU C 17 123.095 -4.378 -4.253 1.00 0.00 H new ATOM 0 HD21 LEU C 17 123.638 -5.980 -6.819 1.00 0.00 H new ATOM 0 HD22 LEU C 17 123.912 -6.638 -5.188 1.00 0.00 H new ATOM 0 HD23 LEU C 17 122.870 -7.511 -6.337 1.00 0.00 H new ATOM 42 N VAL C 18 121.327 -5.139 -1.225 1.00 0.00 N ATOM 43 CA VAL C 18 120.497 -4.819 -0.057 1.00 0.00 C ATOM 44 C VAL C 18 119.793 -3.491 -0.278 1.00 0.00 C ATOM 45 O VAL C 18 120.429 -2.531 -0.692 1.00 0.00 O ATOM 46 CB VAL C 18 121.360 -4.711 1.215 1.00 0.00 C ATOM 47 CG1 VAL C 18 120.454 -4.547 2.451 1.00 0.00 C ATOM 48 CG2 VAL C 18 122.224 -5.966 1.369 1.00 0.00 C ATOM 0 H VAL C 18 121.920 -4.371 -1.540 1.00 0.00 H new ATOM 0 HA VAL C 18 119.768 -5.619 0.070 1.00 0.00 H new ATOM 0 HB VAL C 18 122.009 -3.840 1.129 1.00 0.00 H new ATOM 0 HG11 VAL C 18 121.071 -4.471 3.347 1.00 0.00 H new ATOM 0 HG12 VAL C 18 119.855 -3.643 2.345 1.00 0.00 H new ATOM 0 HG13 VAL C 18 119.795 -5.411 2.536 1.00 0.00 H new ATOM 0 HG21 VAL C 18 122.831 -5.882 2.270 1.00 0.00 H new ATOM 0 HG22 VAL C 18 121.581 -6.843 1.445 1.00 0.00 H new ATOM 0 HG23 VAL C 18 122.876 -6.068 0.501 1.00 0.00 H new ATOM 58 N PHE C 19 118.496 -3.434 0.030 1.00 0.00 N ATOM 59 CA PHE C 19 117.732 -2.199 -0.112 1.00 0.00 C ATOM 60 C PHE C 19 117.526 -1.589 1.262 1.00 0.00 C ATOM 61 O PHE C 19 117.037 -2.253 2.176 1.00 0.00 O ATOM 62 CB PHE C 19 116.369 -2.462 -0.778 1.00 0.00 C ATOM 63 CG PHE C 19 116.398 -1.937 -2.198 1.00 0.00 C ATOM 64 CD1 PHE C 19 117.237 -2.546 -3.138 1.00 0.00 C ATOM 65 CD2 PHE C 19 115.608 -0.834 -2.569 1.00 0.00 C ATOM 66 CE1 PHE C 19 117.289 -2.064 -4.446 1.00 0.00 C ATOM 67 CE2 PHE C 19 115.668 -0.352 -3.883 1.00 0.00 C ATOM 68 CZ PHE C 19 116.506 -0.969 -4.819 1.00 0.00 C ATOM 0 H PHE C 19 117.957 -4.227 0.378 1.00 0.00 H new ATOM 0 HA PHE C 19 118.288 -1.511 -0.749 1.00 0.00 H new ATOM 0 HB2 PHE C 19 116.151 -3.530 -0.777 1.00 0.00 H new ATOM 0 HB3 PHE C 19 115.575 -1.974 -0.213 1.00 0.00 H new ATOM 0 HD1 PHE C 19 117.845 -3.391 -2.850 1.00 0.00 H new ATOM 0 HD2 PHE C 19 114.960 -0.362 -1.846 1.00 0.00 H new ATOM 0 HE1 PHE C 19 117.935 -2.538 -5.171 1.00 0.00 H new ATOM 0 HE2 PHE C 19 115.067 0.497 -4.174 1.00 0.00 H new ATOM 0 HZ PHE C 19 116.547 -0.598 -5.832 1.00 0.00 H new ATOM 78 N PHE C 20 117.917 -0.329 1.395 1.00 0.00 N ATOM 79 CA PHE C 20 117.789 0.380 2.669 1.00 0.00 C ATOM 80 C PHE C 20 117.268 1.798 2.465 1.00 0.00 C ATOM 81 O PHE C 20 117.456 2.395 1.403 1.00 0.00 O ATOM 82 CB PHE C 20 119.148 0.424 3.380 1.00 0.00 C ATOM 83 CG PHE C 20 120.134 1.239 2.587 1.00 0.00 C ATOM 84 CD1 PHE C 20 120.140 2.634 2.699 1.00 0.00 C ATOM 85 CD2 PHE C 20 121.039 0.599 1.742 1.00 0.00 C ATOM 86 CE1 PHE C 20 121.052 3.387 1.965 1.00 0.00 C ATOM 87 CE2 PHE C 20 121.950 1.352 1.008 1.00 0.00 C ATOM 88 CZ PHE C 20 121.960 2.747 1.116 1.00 0.00 C ATOM 0 H PHE C 20 118.324 0.225 0.642 1.00 0.00 H new ATOM 0 HA PHE C 20 117.070 -0.160 3.285 1.00 0.00 H new ATOM 0 HB2 PHE C 20 119.030 0.853 4.375 1.00 0.00 H new ATOM 0 HB3 PHE C 20 119.528 -0.589 3.512 1.00 0.00 H new ATOM 0 HD1 PHE C 20 119.437 3.126 3.355 1.00 0.00 H new ATOM 0 HD2 PHE C 20 121.033 -0.478 1.657 1.00 0.00 H new ATOM 0 HE1 PHE C 20 121.058 4.464 2.051 1.00 0.00 H new ATOM 0 HE2 PHE C 20 122.652 0.858 0.353 1.00 0.00 H new ATOM 0 HZ PHE C 20 122.668 3.329 0.544 1.00 0.00 H new ATOM 98 N ALA C 21 116.637 2.336 3.506 1.00 0.00 N ATOM 99 CA ALA C 21 116.113 3.694 3.463 1.00 0.00 C ATOM 100 C ALA C 21 116.909 4.568 4.427 1.00 0.00 C ATOM 101 O ALA C 21 117.224 4.130 5.539 1.00 0.00 O ATOM 102 CB ALA C 21 114.641 3.678 3.843 1.00 0.00 C ATOM 0 H ALA C 21 116.477 1.850 4.389 1.00 0.00 H new ATOM 0 HA ALA C 21 116.209 4.103 2.457 1.00 0.00 H new ATOM 0 HB1 ALA C 21 114.246 4.693 3.812 1.00 0.00 H new ATOM 0 HB2 ALA C 21 114.091 3.053 3.140 1.00 0.00 H new ATOM 0 HB3 ALA C 21 114.530 3.276 4.850 1.00 0.00 H new ATOM 108 N GLU C 22 117.250 5.793 3.998 1.00 0.00 N ATOM 109 CA GLU C 22 118.027 6.698 4.823 1.00 0.00 C ATOM 110 C GLU C 22 117.142 7.833 5.322 1.00 0.00 C ATOM 111 O GLU C 22 116.637 8.612 4.520 1.00 0.00 O ATOM 112 CB GLU C 22 119.184 7.242 3.963 1.00 0.00 C ATOM 113 CG GLU C 22 120.073 8.172 4.788 1.00 0.00 C ATOM 114 CD GLU C 22 121.189 8.755 3.915 1.00 0.00 C ATOM 115 OE1 GLU C 22 122.040 7.990 3.487 1.00 0.00 O ATOM 116 OE2 GLU C 22 121.176 9.955 3.687 1.00 0.00 O ATOM 0 H GLU C 22 116.995 6.169 3.085 1.00 0.00 H new ATOM 0 HA GLU C 22 118.426 6.181 5.695 1.00 0.00 H new ATOM 0 HB2 GLU C 22 119.776 6.414 3.574 1.00 0.00 H new ATOM 0 HB3 GLU C 22 118.784 7.780 3.103 1.00 0.00 H new ATOM 0 HG2 GLU C 22 119.474 8.979 5.210 1.00 0.00 H new ATOM 0 HG3 GLU C 22 120.506 7.624 5.625 1.00 0.00 H new ATOM 123 N ASP C 23 116.990 7.942 6.646 1.00 0.00 N ATOM 124 CA ASP C 23 116.193 9.011 7.226 1.00 0.00 C ATOM 125 C ASP C 23 116.937 10.310 7.001 1.00 0.00 C ATOM 126 O ASP C 23 118.138 10.403 7.260 1.00 0.00 O ATOM 127 CB ASP C 23 115.963 8.788 8.722 1.00 0.00 C ATOM 128 CG ASP C 23 115.009 9.856 9.264 1.00 0.00 C ATOM 129 OD1 ASP C 23 115.487 10.906 9.661 1.00 0.00 O ATOM 130 OD2 ASP C 23 113.813 9.610 9.261 1.00 0.00 O ATOM 0 H ASP C 23 117.407 7.306 7.325 1.00 0.00 H new ATOM 0 HA ASP C 23 115.212 9.036 6.751 1.00 0.00 H new ATOM 0 HB2 ASP C 23 115.546 7.795 8.891 1.00 0.00 H new ATOM 0 HB3 ASP C 23 116.912 8.830 9.256 1.00 0.00 H new ATOM 135 N VAL C 24 116.232 11.276 6.448 1.00 0.00 N ATOM 136 CA VAL C 24 116.835 12.565 6.103 1.00 0.00 C ATOM 137 C VAL C 24 116.254 13.726 6.918 1.00 0.00 C ATOM 138 O VAL C 24 116.645 14.878 6.717 1.00 0.00 O ATOM 139 CB VAL C 24 116.660 12.775 4.591 1.00 0.00 C ATOM 140 CG1 VAL C 24 117.252 11.557 3.867 1.00 0.00 C ATOM 141 CG2 VAL C 24 115.168 12.907 4.227 1.00 0.00 C ATOM 0 H VAL C 24 115.240 11.201 6.224 1.00 0.00 H new ATOM 0 HA VAL C 24 117.895 12.549 6.357 1.00 0.00 H new ATOM 0 HB VAL C 24 117.169 13.691 4.291 1.00 0.00 H new ATOM 0 HG11 VAL C 24 117.139 11.683 2.790 1.00 0.00 H new ATOM 0 HG12 VAL C 24 118.310 11.466 4.113 1.00 0.00 H new ATOM 0 HG13 VAL C 24 116.728 10.655 4.183 1.00 0.00 H new ATOM 0 HG21 VAL C 24 115.068 13.055 3.152 1.00 0.00 H new ATOM 0 HG22 VAL C 24 114.640 11.999 4.519 1.00 0.00 H new ATOM 0 HG23 VAL C 24 114.739 13.761 4.752 1.00 0.00 H new ATOM 183 N LYS C 28 110.823 15.218 3.218 1.00 0.00 N ATOM 184 CA LYS C 28 111.058 14.155 2.245 1.00 0.00 C ATOM 185 C LYS C 28 110.926 12.767 2.888 1.00 0.00 C ATOM 186 O LYS C 28 110.581 11.795 2.210 1.00 0.00 O ATOM 187 CB LYS C 28 112.462 14.330 1.672 1.00 0.00 C ATOM 188 CG LYS C 28 112.551 15.692 0.963 1.00 0.00 C ATOM 189 CD LYS C 28 113.840 15.780 0.132 1.00 0.00 C ATOM 190 CE LYS C 28 115.070 15.885 1.049 1.00 0.00 C ATOM 191 NZ LYS C 28 115.066 17.204 1.747 1.00 0.00 N ATOM 0 HA LYS C 28 110.310 14.223 1.455 1.00 0.00 H new ATOM 0 HB2 LYS C 28 113.203 14.272 2.469 1.00 0.00 H new ATOM 0 HB3 LYS C 28 112.685 13.526 0.971 1.00 0.00 H new ATOM 0 HG2 LYS C 28 111.684 15.830 0.317 1.00 0.00 H new ATOM 0 HG3 LYS C 28 112.530 16.495 1.700 1.00 0.00 H new ATOM 0 HD2 LYS C 28 113.929 14.900 -0.505 1.00 0.00 H new ATOM 0 HD3 LYS C 28 113.796 16.647 -0.527 1.00 0.00 H new ATOM 0 HE2 LYS C 28 115.061 15.076 1.780 1.00 0.00 H new ATOM 0 HE3 LYS C 28 115.983 15.775 0.463 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 116.017 17.404 2.116 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 114.790 17.950 1.077 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 114.387 17.178 2.535 1.00 0.00 H new ATOM 205 N GLY C 29 111.205 12.690 4.197 1.00 0.00 N ATOM 206 CA GLY C 29 111.119 11.426 4.935 1.00 0.00 C ATOM 207 C GLY C 29 112.447 10.681 4.879 1.00 0.00 C ATOM 208 O GLY C 29 113.368 10.992 5.640 1.00 0.00 O ATOM 0 H GLY C 29 111.492 13.488 4.764 1.00 0.00 H new ATOM 0 HA2 GLY C 29 110.849 11.622 5.973 1.00 0.00 H new ATOM 0 HA3 GLY C 29 110.329 10.805 4.512 1.00 0.00 H new ATOM 212 N ALA C 30 112.539 9.698 3.971 1.00 0.00 N ATOM 213 CA ALA C 30 113.763 8.912 3.806 1.00 0.00 C ATOM 214 C ALA C 30 114.109 8.757 2.321 1.00 0.00 C ATOM 215 O ALA C 30 113.292 9.077 1.451 1.00 0.00 O ATOM 216 CB ALA C 30 113.604 7.533 4.450 1.00 0.00 C ATOM 0 H ALA C 30 111.781 9.432 3.343 1.00 0.00 H new ATOM 0 HA ALA C 30 114.576 9.442 4.302 1.00 0.00 H new ATOM 0 HB1 ALA C 30 114.523 6.962 4.318 1.00 0.00 H new ATOM 0 HB2 ALA C 30 113.399 7.650 5.514 1.00 0.00 H new ATOM 0 HB3 ALA C 30 112.777 7.004 3.977 1.00 0.00 H new ATOM 222 N ILE C 31 115.326 8.264 2.043 1.00 0.00 N ATOM 223 CA ILE C 31 115.786 8.067 0.660 1.00 0.00 C ATOM 224 C ILE C 31 116.051 6.594 0.407 1.00 0.00 C ATOM 225 O ILE C 31 116.671 5.927 1.235 1.00 0.00 O ATOM 226 CB ILE C 31 117.106 8.819 0.366 1.00 0.00 C ATOM 227 CG1 ILE C 31 117.299 10.018 1.291 1.00 0.00 C ATOM 228 CG2 ILE C 31 117.088 9.315 -1.079 1.00 0.00 C ATOM 229 CD1 ILE C 31 118.593 10.767 0.914 1.00 0.00 C ATOM 0 H ILE C 31 116.006 7.996 2.754 1.00 0.00 H new ATOM 0 HA ILE C 31 114.997 8.454 0.016 1.00 0.00 H new ATOM 0 HB ILE C 31 117.929 8.124 0.533 1.00 0.00 H new ATOM 0 HG12 ILE C 31 116.444 10.690 1.214 1.00 0.00 H new ATOM 0 HG13 ILE C 31 117.350 9.685 2.327 1.00 0.00 H new ATOM 0 HG21 ILE C 31 118.016 9.846 -1.293 1.00 0.00 H new ATOM 0 HG22 ILE C 31 116.993 8.465 -1.754 1.00 0.00 H new ATOM 0 HG23 ILE C 31 116.243 9.989 -1.222 1.00 0.00 H new ATOM 0 HD11 ILE C 31 118.725 11.622 1.578 1.00 0.00 H new ATOM 0 HD12 ILE C 31 119.445 10.095 1.014 1.00 0.00 H new ATOM 0 HD13 ILE C 31 118.525 11.115 -0.117 1.00 0.00 H new ATOM 241 N ILE C 32 115.625 6.106 -0.756 1.00 0.00 N ATOM 242 CA ILE C 32 115.865 4.716 -1.118 1.00 0.00 C ATOM 243 C ILE C 32 117.254 4.583 -1.720 1.00 0.00 C ATOM 244 O ILE C 32 117.547 5.163 -2.767 1.00 0.00 O ATOM 245 CB ILE C 32 114.793 4.202 -2.110 1.00 0.00 C ATOM 246 CG1 ILE C 32 113.589 3.647 -1.327 1.00 0.00 C ATOM 247 CG2 ILE C 32 115.359 3.095 -3.024 1.00 0.00 C ATOM 248 CD1 ILE C 32 113.969 2.336 -0.611 1.00 0.00 C ATOM 0 H ILE C 32 115.117 6.648 -1.455 1.00 0.00 H new ATOM 0 HA ILE C 32 115.800 4.105 -0.218 1.00 0.00 H new ATOM 0 HB ILE C 32 114.482 5.039 -2.735 1.00 0.00 H new ATOM 0 HG12 ILE C 32 113.252 4.383 -0.597 1.00 0.00 H new ATOM 0 HG13 ILE C 32 112.756 3.469 -2.007 1.00 0.00 H new ATOM 0 HG21 ILE C 32 114.582 2.756 -3.709 1.00 0.00 H new ATOM 0 HG22 ILE C 32 116.199 3.489 -3.596 1.00 0.00 H new ATOM 0 HG23 ILE C 32 115.697 2.257 -2.414 1.00 0.00 H new ATOM 0 HD11 ILE C 32 113.106 1.958 -0.063 1.00 0.00 H new ATOM 0 HD12 ILE C 32 114.283 1.597 -1.348 1.00 0.00 H new ATOM 0 HD13 ILE C 32 114.787 2.525 0.085 1.00 0.00 H new ATOM 260 N GLY C 33 118.077 3.785 -1.054 1.00 0.00 N ATOM 261 CA GLY C 33 119.433 3.513 -1.502 1.00 0.00 C ATOM 262 C GLY C 33 119.738 2.050 -1.256 1.00 0.00 C ATOM 263 O GLY C 33 119.183 1.449 -0.335 1.00 0.00 O ATOM 0 H GLY C 33 117.822 3.309 -0.189 1.00 0.00 H new ATOM 0 HA2 GLY C 33 119.536 3.748 -2.561 1.00 0.00 H new ATOM 0 HA3 GLY C 33 120.142 4.143 -0.965 1.00 0.00 H new ATOM 267 N LEU C 34 120.600 1.473 -2.081 1.00 0.00 N ATOM 268 CA LEU C 34 120.943 0.060 -1.927 1.00 0.00 C ATOM 269 C LEU C 34 122.441 -0.157 -1.843 1.00 0.00 C ATOM 270 O LEU C 34 123.237 0.665 -2.298 1.00 0.00 O ATOM 271 CB LEU C 34 120.373 -0.774 -3.077 1.00 0.00 C ATOM 272 CG LEU C 34 120.616 -0.073 -4.416 1.00 0.00 C ATOM 273 CD1 LEU C 34 121.004 -1.128 -5.468 1.00 0.00 C ATOM 274 CD2 LEU C 34 119.344 0.691 -4.841 1.00 0.00 C ATOM 0 H LEU C 34 121.069 1.948 -2.852 1.00 0.00 H new ATOM 0 HA LEU C 34 120.496 -0.266 -0.988 1.00 0.00 H new ATOM 0 HB2 LEU C 34 120.839 -1.760 -3.085 1.00 0.00 H new ATOM 0 HB3 LEU C 34 119.304 -0.928 -2.928 1.00 0.00 H new ATOM 0 HG LEU C 34 121.428 0.648 -4.323 1.00 0.00 H new ATOM 0 HD11 LEU C 34 121.179 -0.639 -6.426 1.00 0.00 H new ATOM 0 HD12 LEU C 34 121.912 -1.641 -5.151 1.00 0.00 H new ATOM 0 HD13 LEU C 34 120.196 -1.852 -5.573 1.00 0.00 H new ATOM 0 HD21 LEU C 34 119.520 1.189 -5.794 1.00 0.00 H new ATOM 0 HD22 LEU C 34 118.516 -0.010 -4.945 1.00 0.00 H new ATOM 0 HD23 LEU C 34 119.096 1.435 -4.084 1.00 0.00 H new ATOM 286 N MET C 35 122.794 -1.292 -1.252 1.00 0.00 N ATOM 287 CA MET C 35 124.197 -1.687 -1.080 1.00 0.00 C ATOM 288 C MET C 35 124.534 -2.822 -2.036 1.00 0.00 C ATOM 289 O MET C 35 123.694 -3.680 -2.305 1.00 0.00 O ATOM 290 CB MET C 35 124.468 -2.104 0.384 1.00 0.00 C ATOM 291 CG MET C 35 125.284 -0.999 1.065 1.00 0.00 C ATOM 292 SD MET C 35 125.667 -1.413 2.787 1.00 0.00 S ATOM 293 CE MET C 35 126.592 -2.914 2.451 1.00 0.00 C ATOM 0 H MET C 35 122.124 -1.965 -0.879 1.00 0.00 H new ATOM 0 HA MET C 35 124.836 -0.834 -1.310 1.00 0.00 H new ATOM 0 HB2 MET C 35 123.528 -2.260 0.913 1.00 0.00 H new ATOM 0 HB3 MET C 35 125.011 -3.048 0.414 1.00 0.00 H new ATOM 0 HG2 MET C 35 126.211 -0.839 0.514 1.00 0.00 H new ATOM 0 HG3 MET C 35 124.728 -0.062 1.031 1.00 0.00 H new ATOM 0 HE1 MET C 35 127.310 -3.086 3.253 1.00 0.00 H new ATOM 0 HE2 MET C 35 125.906 -3.759 2.391 1.00 0.00 H new ATOM 0 HE3 MET C 35 127.123 -2.810 1.505 1.00 0.00 H new ATOM 303 N VAL C 36 125.760 -2.788 -2.570 1.00 0.00 N ATOM 304 CA VAL C 36 126.213 -3.795 -3.545 1.00 0.00 C ATOM 305 C VAL C 36 127.461 -4.533 -3.045 1.00 0.00 C ATOM 306 O VAL C 36 128.438 -3.898 -2.637 1.00 0.00 O ATOM 307 CB VAL C 36 126.546 -3.098 -4.882 1.00 0.00 C ATOM 308 CG1 VAL C 36 126.719 -4.150 -5.987 1.00 0.00 C ATOM 309 CG2 VAL C 36 125.429 -2.113 -5.280 1.00 0.00 C ATOM 0 H VAL C 36 126.457 -2.078 -2.346 1.00 0.00 H new ATOM 0 HA VAL C 36 125.411 -4.521 -3.681 1.00 0.00 H new ATOM 0 HB VAL C 36 127.474 -2.540 -4.756 1.00 0.00 H new ATOM 0 HG11 VAL C 36 126.954 -3.653 -6.929 1.00 0.00 H new ATOM 0 HG12 VAL C 36 127.531 -4.827 -5.721 1.00 0.00 H new ATOM 0 HG13 VAL C 36 125.795 -4.718 -6.097 1.00 0.00 H new ATOM 0 HG21 VAL C 36 125.686 -1.634 -6.225 1.00 0.00 H new ATOM 0 HG22 VAL C 36 124.489 -2.654 -5.391 1.00 0.00 H new ATOM 0 HG23 VAL C 36 125.321 -1.353 -4.506 1.00 0.00 H new ATOM 319 N GLY C 37 127.427 -5.878 -3.102 1.00 0.00 N ATOM 320 CA GLY C 37 128.565 -6.700 -2.671 1.00 0.00 C ATOM 321 C GLY C 37 128.958 -6.394 -1.229 1.00 0.00 C ATOM 322 O GLY C 37 130.137 -6.460 -0.871 1.00 0.00 O ATOM 0 H GLY C 37 126.627 -6.412 -3.441 1.00 0.00 H new ATOM 0 HA2 GLY C 37 128.309 -7.755 -2.764 1.00 0.00 H new ATOM 0 HA3 GLY C 37 129.416 -6.519 -3.328 1.00 0.00 H new ATOM 367 N GLY E 14 131.639 -1.917 0.497 1.00 0.00 N ATOM 368 CA GLY E 14 131.094 -2.191 -0.834 1.00 0.00 C ATOM 369 C GLY E 14 130.589 -0.915 -1.501 1.00 0.00 C ATOM 370 O GLY E 14 130.649 0.173 -0.918 1.00 0.00 O ATOM 0 HA2 GLY E 14 131.862 -2.649 -1.456 1.00 0.00 H new ATOM 0 HA3 GLY E 14 130.278 -2.909 -0.754 1.00 0.00 H new ATOM 374 N GLU E 15 130.076 -1.064 -2.726 1.00 0.00 N ATOM 375 CA GLU E 15 129.538 0.066 -3.478 1.00 0.00 C ATOM 376 C GLU E 15 128.103 0.315 -3.039 1.00 0.00 C ATOM 377 O GLU E 15 127.289 -0.612 -3.012 1.00 0.00 O ATOM 378 CB GLU E 15 129.595 -0.239 -4.989 1.00 0.00 C ATOM 379 CG GLU E 15 129.073 0.960 -5.803 1.00 0.00 C ATOM 380 CD GLU E 15 129.091 0.643 -7.304 1.00 0.00 C ATOM 381 OE1 GLU E 15 130.174 0.451 -7.839 1.00 0.00 O ATOM 382 OE2 GLU E 15 128.023 0.601 -7.899 1.00 0.00 O ATOM 0 H GLU E 15 130.023 -1.957 -3.215 1.00 0.00 H new ATOM 0 HA GLU E 15 130.132 0.959 -3.284 1.00 0.00 H new ATOM 0 HB2 GLU E 15 130.620 -0.466 -5.282 1.00 0.00 H new ATOM 0 HB3 GLU E 15 128.998 -1.124 -5.210 1.00 0.00 H new ATOM 0 HG2 GLU E 15 128.058 1.205 -5.490 1.00 0.00 H new ATOM 0 HG3 GLU E 15 129.688 1.837 -5.604 1.00 0.00 H new ATOM 389 N ILE E 16 127.800 1.568 -2.690 1.00 0.00 N ATOM 390 CA ILE E 16 126.456 1.931 -2.246 1.00 0.00 C ATOM 391 C ILE E 16 125.812 2.876 -3.259 1.00 0.00 C ATOM 392 O ILE E 16 126.388 3.904 -3.625 1.00 0.00 O ATOM 393 CB ILE E 16 126.506 2.571 -0.846 1.00 0.00 C ATOM 394 CG1 ILE E 16 127.406 1.702 0.081 1.00 0.00 C ATOM 395 CG2 ILE E 16 125.076 2.649 -0.287 1.00 0.00 C ATOM 396 CD1 ILE E 16 127.056 1.906 1.564 1.00 0.00 C ATOM 0 H ILE E 16 128.464 2.342 -2.707 1.00 0.00 H new ATOM 0 HA ILE E 16 125.847 1.029 -2.180 1.00 0.00 H new ATOM 0 HB ILE E 16 126.925 3.576 -0.900 1.00 0.00 H new ATOM 0 HG12 ILE E 16 127.289 0.650 -0.180 1.00 0.00 H new ATOM 0 HG13 ILE E 16 128.453 1.957 -0.085 1.00 0.00 H new ATOM 0 HG21 ILE E 16 125.097 3.101 0.705 1.00 0.00 H new ATOM 0 HG22 ILE E 16 124.459 3.256 -0.949 1.00 0.00 H new ATOM 0 HG23 ILE E 16 124.656 1.645 -0.220 1.00 0.00 H new ATOM 0 HD11 ILE E 16 127.705 1.283 2.180 1.00 0.00 H new ATOM 0 HD12 ILE E 16 127.198 2.953 1.831 1.00 0.00 H new ATOM 0 HD13 ILE E 16 126.016 1.626 1.734 1.00 0.00 H new ATOM 408 N VAL E 17 124.623 2.483 -3.723 1.00 0.00 N ATOM 409 CA VAL E 17 123.868 3.238 -4.727 1.00 0.00 C ATOM 410 C VAL E 17 122.632 3.918 -4.130 1.00 0.00 C ATOM 411 O VAL E 17 121.974 3.370 -3.251 1.00 0.00 O ATOM 412 CB VAL E 17 123.435 2.272 -5.847 1.00 0.00 C ATOM 413 CG1 VAL E 17 122.427 2.959 -6.788 1.00 0.00 C ATOM 414 CG2 VAL E 17 124.671 1.838 -6.644 1.00 0.00 C ATOM 0 H VAL E 17 124.156 1.631 -3.413 1.00 0.00 H new ATOM 0 HA VAL E 17 124.513 4.024 -5.119 1.00 0.00 H new ATOM 0 HB VAL E 17 122.957 1.400 -5.401 1.00 0.00 H new ATOM 0 HG11 VAL E 17 122.131 2.264 -7.574 1.00 0.00 H new ATOM 0 HG12 VAL E 17 121.547 3.261 -6.220 1.00 0.00 H new ATOM 0 HG13 VAL E 17 122.889 3.838 -7.237 1.00 0.00 H new ATOM 0 HG21 VAL E 17 124.370 1.154 -7.438 1.00 0.00 H new ATOM 0 HG22 VAL E 17 125.148 2.715 -7.082 1.00 0.00 H new ATOM 0 HG23 VAL E 17 125.374 1.336 -5.980 1.00 0.00 H new ATOM 424 N TYR E 18 122.319 5.107 -4.659 1.00 0.00 N ATOM 425 CA TYR E 18 121.145 5.877 -4.238 1.00 0.00 C ATOM 426 C TYR E 18 120.304 6.227 -5.468 1.00 0.00 C ATOM 427 O TYR E 18 120.831 6.766 -6.445 1.00 0.00 O ATOM 428 CB TYR E 18 121.577 7.161 -3.512 1.00 0.00 C ATOM 429 CG TYR E 18 121.954 6.834 -2.092 1.00 0.00 C ATOM 430 CD1 TYR E 18 123.192 6.250 -1.814 1.00 0.00 C ATOM 431 CD2 TYR E 18 121.061 7.115 -1.055 1.00 0.00 C ATOM 432 CE1 TYR E 18 123.536 5.948 -0.497 1.00 0.00 C ATOM 433 CE2 TYR E 18 121.403 6.816 0.262 1.00 0.00 C ATOM 434 CZ TYR E 18 122.645 6.231 0.545 1.00 0.00 C ATOM 435 OH TYR E 18 122.990 5.938 1.849 1.00 0.00 O ATOM 0 H TYR E 18 122.871 5.560 -5.388 1.00 0.00 H new ATOM 0 HA TYR E 18 120.551 5.277 -3.549 1.00 0.00 H new ATOM 0 HB2 TYR E 18 122.422 7.616 -4.028 1.00 0.00 H new ATOM 0 HB3 TYR E 18 120.766 7.889 -3.525 1.00 0.00 H new ATOM 0 HD1 TYR E 18 123.881 6.033 -2.617 1.00 0.00 H new ATOM 0 HD2 TYR E 18 120.104 7.565 -1.275 1.00 0.00 H new ATOM 0 HE1 TYR E 18 124.492 5.495 -0.280 1.00 0.00 H new ATOM 0 HE2 TYR E 18 120.713 7.034 1.063 1.00 0.00 H new ATOM 0 HH TYR E 18 122.679 6.656 2.439 1.00 0.00 H new ATOM 445 N LEU E 19 119.000 5.914 -5.412 1.00 0.00 N ATOM 446 CA LEU E 19 118.089 6.197 -6.531 1.00 0.00 C ATOM 447 C LEU E 19 116.919 7.087 -6.065 1.00 0.00 C ATOM 448 O LEU E 19 115.750 6.688 -6.142 1.00 0.00 O ATOM 449 CB LEU E 19 117.550 4.873 -7.122 1.00 0.00 C ATOM 450 CG LEU E 19 118.703 4.013 -7.688 1.00 0.00 C ATOM 451 CD1 LEU E 19 118.205 2.593 -8.001 1.00 0.00 C ATOM 452 CD2 LEU E 19 119.274 4.653 -8.966 1.00 0.00 C ATOM 0 H LEU E 19 118.556 5.468 -4.610 1.00 0.00 H new ATOM 0 HA LEU E 19 118.642 6.731 -7.303 1.00 0.00 H new ATOM 0 HB2 LEU E 19 117.019 4.315 -6.351 1.00 0.00 H new ATOM 0 HB3 LEU E 19 116.830 5.089 -7.912 1.00 0.00 H new ATOM 0 HG LEU E 19 119.490 3.959 -6.936 1.00 0.00 H new ATOM 0 HD11 LEU E 19 119.027 1.998 -8.399 1.00 0.00 H new ATOM 0 HD12 LEU E 19 117.830 2.129 -7.088 1.00 0.00 H new ATOM 0 HD13 LEU E 19 117.404 2.643 -8.738 1.00 0.00 H new ATOM 0 HD21 LEU E 19 120.085 4.035 -9.351 1.00 0.00 H new ATOM 0 HD22 LEU E 19 118.488 4.730 -9.717 1.00 0.00 H new ATOM 0 HD23 LEU E 19 119.654 5.648 -8.736 1.00 0.00 H new ATOM 464 N PRO E 20 117.209 8.290 -5.597 1.00 0.00 N ATOM 465 CA PRO E 20 116.161 9.256 -5.127 1.00 0.00 C ATOM 466 C PRO E 20 115.365 9.843 -6.288 1.00 0.00 C ATOM 467 O PRO E 20 114.257 10.354 -6.100 1.00 0.00 O ATOM 468 CB PRO E 20 116.971 10.356 -4.433 1.00 0.00 C ATOM 469 CG PRO E 20 118.305 10.328 -5.097 1.00 0.00 C ATOM 470 CD PRO E 20 118.564 8.869 -5.464 1.00 0.00 C ATOM 0 HA PRO E 20 115.426 8.778 -4.479 1.00 0.00 H new ATOM 0 HB2 PRO E 20 116.494 11.329 -4.547 1.00 0.00 H new ATOM 0 HB3 PRO E 20 117.058 10.167 -3.363 1.00 0.00 H new ATOM 0 HG2 PRO E 20 118.312 10.960 -5.985 1.00 0.00 H new ATOM 0 HG3 PRO E 20 119.080 10.706 -4.430 1.00 0.00 H new ATOM 0 HD2 PRO E 20 119.128 8.785 -6.393 1.00 0.00 H new ATOM 0 HD3 PRO E 20 119.142 8.360 -4.693 1.00 0.00 H new ATOM 478 N ASN E 21 115.965 9.791 -7.475 1.00 0.00 N ATOM 479 CA ASN E 21 115.356 10.344 -8.682 1.00 0.00 C ATOM 480 C ASN E 21 114.444 9.337 -9.385 1.00 0.00 C ATOM 481 O ASN E 21 113.874 9.656 -10.432 1.00 0.00 O ATOM 482 CB ASN E 21 116.470 10.781 -9.643 1.00 0.00 C ATOM 483 CG ASN E 21 117.385 11.811 -8.977 1.00 0.00 C ATOM 484 OD1 ASN E 21 116.925 12.655 -8.203 1.00 0.00 O ATOM 485 ND2 ASN E 21 118.664 11.800 -9.238 1.00 0.00 N ATOM 0 H ASN E 21 116.880 9.368 -7.627 1.00 0.00 H new ATOM 0 HA ASN E 21 114.739 11.193 -8.389 1.00 0.00 H new ATOM 0 HB2 ASN E 21 117.054 9.913 -9.950 1.00 0.00 H new ATOM 0 HB3 ASN E 21 116.032 11.206 -10.546 1.00 0.00 H new ATOM 0 HD21 ASN E 21 119.279 12.487 -8.803 1.00 0.00 H new ATOM 0 HD22 ASN E 21 119.048 11.104 -9.877 1.00 0.00 H new ATOM 492 N LEU E 22 114.311 8.127 -8.821 1.00 0.00 N ATOM 493 CA LEU E 22 113.469 7.095 -9.425 1.00 0.00 C ATOM 494 C LEU E 22 112.108 7.019 -8.745 1.00 0.00 C ATOM 495 O LEU E 22 112.009 7.032 -7.515 1.00 0.00 O ATOM 496 CB LEU E 22 114.187 5.739 -9.343 1.00 0.00 C ATOM 497 CG LEU E 22 115.032 5.493 -10.614 1.00 0.00 C ATOM 498 CD1 LEU E 22 116.087 6.604 -10.805 1.00 0.00 C ATOM 499 CD2 LEU E 22 115.729 4.127 -10.499 1.00 0.00 C ATOM 0 H LEU E 22 114.773 7.845 -7.956 1.00 0.00 H new ATOM 0 HA LEU E 22 113.298 7.355 -10.470 1.00 0.00 H new ATOM 0 HB2 LEU E 22 114.829 5.714 -8.462 1.00 0.00 H new ATOM 0 HB3 LEU E 22 113.455 4.940 -9.226 1.00 0.00 H new ATOM 0 HG LEU E 22 114.371 5.504 -11.481 1.00 0.00 H new ATOM 0 HD11 LEU E 22 116.666 6.405 -11.707 1.00 0.00 H new ATOM 0 HD12 LEU E 22 115.587 7.568 -10.901 1.00 0.00 H new ATOM 0 HD13 LEU E 22 116.753 6.625 -9.943 1.00 0.00 H new ATOM 0 HD21 LEU E 22 116.327 3.947 -11.393 1.00 0.00 H new ATOM 0 HD22 LEU E 22 116.376 4.122 -9.622 1.00 0.00 H new ATOM 0 HD23 LEU E 22 114.978 3.343 -10.401 1.00 0.00 H new ATOM 511 N ASN E 23 111.067 6.924 -9.573 1.00 0.00 N ATOM 512 CA ASN E 23 109.690 6.827 -9.084 1.00 0.00 C ATOM 513 C ASN E 23 109.437 5.418 -8.531 1.00 0.00 C ATOM 514 O ASN E 23 110.203 4.496 -8.832 1.00 0.00 O ATOM 515 CB ASN E 23 108.720 7.123 -10.235 1.00 0.00 C ATOM 516 CG ASN E 23 108.819 8.592 -10.642 1.00 0.00 C ATOM 517 OD1 ASN E 23 109.963 9.078 -11.036 1.00 0.00 O flip ATOM 518 ND2 ASN E 23 107.826 9.318 -10.597 1.00 0.00 N flip ATOM 0 H ASN E 23 111.151 6.912 -10.589 1.00 0.00 H new ATOM 0 HA ASN E 23 109.532 7.553 -8.286 1.00 0.00 H new ATOM 0 HB2 ASN E 23 108.951 6.485 -11.088 1.00 0.00 H new ATOM 0 HB3 ASN E 23 107.700 6.890 -9.930 1.00 0.00 H new ATOM 0 HD21 ASN E 23 106.931 8.939 -10.289 1.00 0.00 H new ATOM 0 HD22 ASN E 23 107.899 10.299 -10.868 1.00 0.00 H new ATOM 525 N PRO E 24 108.391 5.216 -7.741 1.00 0.00 N ATOM 526 CA PRO E 24 108.075 3.866 -7.170 1.00 0.00 C ATOM 527 C PRO E 24 108.000 2.799 -8.263 1.00 0.00 C ATOM 528 O PRO E 24 108.395 1.650 -8.048 1.00 0.00 O ATOM 529 CB PRO E 24 106.713 4.055 -6.490 1.00 0.00 C ATOM 530 CG PRO E 24 106.607 5.519 -6.210 1.00 0.00 C ATOM 531 CD PRO E 24 107.409 6.232 -7.301 1.00 0.00 C ATOM 0 HA PRO E 24 108.844 3.521 -6.479 1.00 0.00 H new ATOM 0 HB2 PRO E 24 105.902 3.719 -7.136 1.00 0.00 H new ATOM 0 HB3 PRO E 24 106.649 3.474 -5.570 1.00 0.00 H new ATOM 0 HG2 PRO E 24 105.566 5.841 -6.221 1.00 0.00 H new ATOM 0 HG3 PRO E 24 107.003 5.754 -5.222 1.00 0.00 H new ATOM 0 HD2 PRO E 24 106.769 6.552 -8.123 1.00 0.00 H new ATOM 0 HD3 PRO E 24 107.902 7.124 -6.916 1.00 0.00 H new ATOM 539 N ASP E 25 107.515 3.204 -9.438 1.00 0.00 N ATOM 540 CA ASP E 25 107.416 2.298 -10.580 1.00 0.00 C ATOM 541 C ASP E 25 108.809 1.845 -11.003 1.00 0.00 C ATOM 542 O ASP E 25 109.048 0.659 -11.237 1.00 0.00 O ATOM 543 CB ASP E 25 106.750 3.019 -11.758 1.00 0.00 C ATOM 544 CG ASP E 25 105.334 3.467 -11.384 1.00 0.00 C ATOM 545 OD1 ASP E 25 104.498 2.604 -11.161 1.00 0.00 O ATOM 546 OD2 ASP E 25 105.105 4.665 -11.322 1.00 0.00 O ATOM 0 H ASP E 25 107.186 4.152 -9.622 1.00 0.00 H new ATOM 0 HA ASP E 25 106.819 1.433 -10.292 1.00 0.00 H new ATOM 0 HB2 ASP E 25 107.347 3.884 -12.046 1.00 0.00 H new ATOM 0 HB3 ASP E 25 106.711 2.356 -12.622 1.00 0.00 H new ATOM 551 N GLN E 26 109.719 2.818 -11.099 1.00 0.00 N ATOM 552 CA GLN E 26 111.096 2.558 -11.497 1.00 0.00 C ATOM 553 C GLN E 26 111.824 1.716 -10.447 1.00 0.00 C ATOM 554 O GLN E 26 112.495 0.739 -10.790 1.00 0.00 O ATOM 555 CB GLN E 26 111.822 3.895 -11.689 1.00 0.00 C ATOM 556 CG GLN E 26 111.184 4.680 -12.848 1.00 0.00 C ATOM 557 CD GLN E 26 111.404 3.946 -14.169 1.00 0.00 C ATOM 558 OE1 GLN E 26 112.604 3.564 -14.495 1.00 0.00 O flip ATOM 559 NE2 GLN E 26 110.457 3.715 -14.920 1.00 0.00 N flip ATOM 0 H GLN E 26 109.520 3.799 -10.904 1.00 0.00 H new ATOM 0 HA GLN E 26 111.092 1.998 -12.432 1.00 0.00 H new ATOM 0 HB2 GLN E 26 111.771 4.481 -10.771 1.00 0.00 H new ATOM 0 HB3 GLN E 26 112.877 3.718 -11.896 1.00 0.00 H new ATOM 0 HG2 GLN E 26 110.116 4.805 -12.667 1.00 0.00 H new ATOM 0 HG3 GLN E 26 111.618 5.679 -12.902 1.00 0.00 H new ATOM 0 HE21 GLN E 26 109.517 4.015 -14.662 1.00 0.00 H new ATOM 0 HE22 GLN E 26 110.612 3.223 -15.800 1.00 0.00 H new ATOM 568 N LEU E 27 111.683 2.099 -9.169 1.00 0.00 N ATOM 569 CA LEU E 27 112.333 1.359 -8.084 1.00 0.00 C ATOM 570 C LEU E 27 111.779 -0.062 -8.014 1.00 0.00 C ATOM 571 O LEU E 27 112.538 -1.022 -7.890 1.00 0.00 O ATOM 572 CB LEU E 27 112.127 2.064 -6.729 1.00 0.00 C ATOM 573 CG LEU E 27 112.756 3.473 -6.739 1.00 0.00 C ATOM 574 CD1 LEU E 27 112.507 4.166 -5.392 1.00 0.00 C ATOM 575 CD2 LEU E 27 114.273 3.385 -6.980 1.00 0.00 C ATOM 0 H LEU E 27 111.134 2.904 -8.867 1.00 0.00 H new ATOM 0 HA LEU E 27 113.402 1.323 -8.294 1.00 0.00 H new ATOM 0 HB2 LEU E 27 111.061 2.139 -6.512 1.00 0.00 H new ATOM 0 HB3 LEU E 27 112.573 1.468 -5.933 1.00 0.00 H new ATOM 0 HG LEU E 27 112.296 4.047 -7.543 1.00 0.00 H new ATOM 0 HD11 LEU E 27 112.954 5.160 -5.406 1.00 0.00 H new ATOM 0 HD12 LEU E 27 111.434 4.253 -5.220 1.00 0.00 H new ATOM 0 HD13 LEU E 27 112.956 3.578 -4.592 1.00 0.00 H new ATOM 0 HD21 LEU E 27 114.700 4.388 -6.984 1.00 0.00 H new ATOM 0 HD22 LEU E 27 114.734 2.798 -6.186 1.00 0.00 H new ATOM 0 HD23 LEU E 27 114.462 2.907 -7.941 1.00 0.00 H new ATOM 587 N CYS E 28 110.451 -0.188 -8.109 1.00 0.00 N ATOM 588 CA CYS E 28 109.803 -1.499 -8.066 1.00 0.00 C ATOM 589 C CYS E 28 110.236 -2.347 -9.265 1.00 0.00 C ATOM 590 O CYS E 28 110.534 -3.534 -9.117 1.00 0.00 O ATOM 591 CB CYS E 28 108.277 -1.337 -8.057 1.00 0.00 C ATOM 592 SG CYS E 28 107.503 -2.914 -7.613 1.00 0.00 S ATOM 0 H CYS E 28 109.809 0.598 -8.215 1.00 0.00 H new ATOM 0 HA CYS E 28 110.108 -2.007 -7.151 1.00 0.00 H new ATOM 0 HB2 CYS E 28 107.987 -0.564 -7.345 1.00 0.00 H new ATOM 0 HB3 CYS E 28 107.929 -1.013 -9.038 1.00 0.00 H new ATOM 597 N ALA E 29 110.272 -1.718 -10.449 1.00 0.00 N ATOM 598 CA ALA E 29 110.674 -2.406 -11.681 1.00 0.00 C ATOM 599 C ALA E 29 112.113 -2.905 -11.568 1.00 0.00 C ATOM 600 O ALA E 29 112.418 -4.051 -11.911 1.00 0.00 O ATOM 601 CB ALA E 29 110.570 -1.436 -12.867 1.00 0.00 C ATOM 0 H ALA E 29 110.028 -0.736 -10.578 1.00 0.00 H new ATOM 0 HA ALA E 29 110.013 -3.258 -11.837 1.00 0.00 H new ATOM 0 HB1 ALA E 29 110.869 -1.947 -13.782 1.00 0.00 H new ATOM 0 HB2 ALA E 29 109.541 -1.089 -12.964 1.00 0.00 H new ATOM 0 HB3 ALA E 29 111.226 -0.582 -12.697 1.00 0.00 H new ATOM 607 N PHE E 30 112.981 -2.023 -11.077 1.00 0.00 N ATOM 608 CA PHE E 30 114.396 -2.336 -10.897 1.00 0.00 C ATOM 609 C PHE E 30 114.579 -3.441 -9.849 1.00 0.00 C ATOM 610 O PHE E 30 115.293 -4.414 -10.084 1.00 0.00 O ATOM 611 CB PHE E 30 115.127 -1.050 -10.472 1.00 0.00 C ATOM 612 CG PHE E 30 116.536 -1.360 -10.014 1.00 0.00 C ATOM 613 CD1 PHE E 30 117.470 -1.898 -10.906 1.00 0.00 C ATOM 614 CD2 PHE E 30 116.902 -1.111 -8.685 1.00 0.00 C ATOM 615 CE1 PHE E 30 118.767 -2.183 -10.468 1.00 0.00 C ATOM 616 CE2 PHE E 30 118.196 -1.398 -8.251 1.00 0.00 C ATOM 617 CZ PHE E 30 119.126 -1.933 -9.141 1.00 0.00 C ATOM 0 H PHE E 30 112.725 -1.077 -10.794 1.00 0.00 H new ATOM 0 HA PHE E 30 114.815 -2.705 -11.833 1.00 0.00 H new ATOM 0 HB2 PHE E 30 115.157 -0.350 -11.307 1.00 0.00 H new ATOM 0 HB3 PHE E 30 114.577 -0.563 -9.667 1.00 0.00 H new ATOM 0 HD1 PHE E 30 117.190 -2.093 -11.931 1.00 0.00 H new ATOM 0 HD2 PHE E 30 116.181 -0.696 -7.996 1.00 0.00 H new ATOM 0 HE1 PHE E 30 119.491 -2.596 -11.155 1.00 0.00 H new ATOM 0 HE2 PHE E 30 118.477 -1.206 -7.226 1.00 0.00 H new ATOM 0 HZ PHE E 30 120.128 -2.155 -8.804 1.00 0.00 H new ATOM 627 N ILE E 31 113.929 -3.263 -8.698 1.00 0.00 N ATOM 628 CA ILE E 31 114.006 -4.224 -7.592 1.00 0.00 C ATOM 629 C ILE E 31 113.514 -5.614 -8.015 1.00 0.00 C ATOM 630 O ILE E 31 114.020 -6.631 -7.528 1.00 0.00 O ATOM 631 CB ILE E 31 113.195 -3.658 -6.402 1.00 0.00 C ATOM 632 CG1 ILE E 31 114.001 -2.523 -5.757 1.00 0.00 C ATOM 633 CG2 ILE E 31 112.903 -4.722 -5.333 1.00 0.00 C ATOM 634 CD1 ILE E 31 113.138 -1.778 -4.735 1.00 0.00 C ATOM 0 H ILE E 31 113.338 -2.455 -8.505 1.00 0.00 H new ATOM 0 HA ILE E 31 115.045 -4.357 -7.290 1.00 0.00 H new ATOM 0 HB ILE E 31 112.239 -3.304 -6.788 1.00 0.00 H new ATOM 0 HG12 ILE E 31 114.888 -2.928 -5.269 1.00 0.00 H new ATOM 0 HG13 ILE E 31 114.348 -1.831 -6.525 1.00 0.00 H new ATOM 0 HG21 ILE E 31 112.332 -4.274 -4.520 1.00 0.00 H new ATOM 0 HG22 ILE E 31 112.327 -5.534 -5.776 1.00 0.00 H new ATOM 0 HG23 ILE E 31 113.843 -5.114 -4.943 1.00 0.00 H new ATOM 0 HD11 ILE E 31 113.720 -0.975 -4.284 1.00 0.00 H new ATOM 0 HD12 ILE E 31 112.265 -1.357 -5.234 1.00 0.00 H new ATOM 0 HD13 ILE E 31 112.813 -2.471 -3.959 1.00 0.00 H new ATOM 646 N HIS E 32 112.543 -5.663 -8.929 1.00 0.00 N ATOM 647 CA HIS E 32 112.023 -6.946 -9.396 1.00 0.00 C ATOM 648 C HIS E 32 113.118 -7.690 -10.176 1.00 0.00 C ATOM 649 O HIS E 32 113.388 -8.865 -9.916 1.00 0.00 O ATOM 650 CB HIS E 32 110.736 -6.710 -10.241 1.00 0.00 C ATOM 651 CG HIS E 32 110.837 -7.296 -11.633 1.00 0.00 C ATOM 652 ND1 HIS E 32 111.292 -6.553 -12.713 1.00 0.00 N ATOM 653 CD2 HIS E 32 110.545 -8.542 -12.131 1.00 0.00 C ATOM 654 CE1 HIS E 32 111.262 -7.352 -13.796 1.00 0.00 C ATOM 655 NE2 HIS E 32 110.814 -8.575 -13.496 1.00 0.00 N ATOM 0 H HIS E 32 112.108 -4.844 -9.353 1.00 0.00 H new ATOM 0 HA HIS E 32 111.743 -7.576 -8.552 1.00 0.00 H new ATOM 0 HB2 HIS E 32 109.882 -7.151 -9.726 1.00 0.00 H new ATOM 0 HB3 HIS E 32 110.546 -5.639 -10.315 1.00 0.00 H new ATOM 0 HD1 HIS E 32 111.594 -5.579 -12.690 1.00 0.00 H new ATOM 0 HD2 HIS E 32 110.165 -9.370 -11.552 1.00 0.00 H new ATOM 0 HE1 HIS E 32 111.563 -7.043 -14.786 1.00 0.00 H new ATOM 664 N SER E 33 113.730 -6.985 -11.130 1.00 0.00 N ATOM 665 CA SER E 33 114.788 -7.555 -11.967 1.00 0.00 C ATOM 666 C SER E 33 116.052 -7.851 -11.155 1.00 0.00 C ATOM 667 O SER E 33 116.662 -8.916 -11.299 1.00 0.00 O ATOM 668 CB SER E 33 115.113 -6.570 -13.092 1.00 0.00 C ATOM 669 OG SER E 33 116.008 -7.179 -14.017 1.00 0.00 O ATOM 0 H SER E 33 113.509 -6.012 -11.343 1.00 0.00 H new ATOM 0 HA SER E 33 114.433 -8.500 -12.379 1.00 0.00 H new ATOM 0 HB2 SER E 33 114.197 -6.269 -13.601 1.00 0.00 H new ATOM 0 HB3 SER E 33 115.560 -5.666 -12.679 1.00 0.00 H new ATOM 0 HG SER E 33 115.968 -6.703 -14.873 1.00 0.00 H new ATOM 675 N LEU E 34 116.428 -6.893 -10.302 1.00 0.00 N ATOM 676 CA LEU E 34 117.617 -7.003 -9.444 1.00 0.00 C ATOM 677 C LEU E 34 117.569 -8.281 -8.603 1.00 0.00 C ATOM 678 O LEU E 34 118.593 -8.937 -8.392 1.00 0.00 O ATOM 679 CB LEU E 34 117.668 -5.772 -8.528 1.00 0.00 C ATOM 680 CG LEU E 34 118.999 -5.713 -7.765 1.00 0.00 C ATOM 681 CD1 LEU E 34 120.163 -5.572 -8.761 1.00 0.00 C ATOM 682 CD2 LEU E 34 118.978 -4.508 -6.804 1.00 0.00 C ATOM 0 H LEU E 34 115.918 -6.018 -10.185 1.00 0.00 H new ATOM 0 HA LEU E 34 118.510 -7.049 -10.067 1.00 0.00 H new ATOM 0 HB2 LEU E 34 117.544 -4.866 -9.122 1.00 0.00 H new ATOM 0 HB3 LEU E 34 116.840 -5.805 -7.820 1.00 0.00 H new ATOM 0 HG LEU E 34 119.135 -6.631 -7.193 1.00 0.00 H new ATOM 0 HD11 LEU E 34 121.106 -5.530 -8.215 1.00 0.00 H new ATOM 0 HD12 LEU E 34 120.171 -6.429 -9.435 1.00 0.00 H new ATOM 0 HD13 LEU E 34 120.038 -4.657 -9.340 1.00 0.00 H new ATOM 0 HD21 LEU E 34 119.921 -4.461 -6.259 1.00 0.00 H new ATOM 0 HD22 LEU E 34 118.842 -3.590 -7.375 1.00 0.00 H new ATOM 0 HD23 LEU E 34 118.156 -4.620 -6.097 1.00 0.00 H new ATOM 694 N HIS E 35 116.366 -8.624 -8.143 1.00 0.00 N ATOM 695 CA HIS E 35 116.156 -9.822 -7.341 1.00 0.00 C ATOM 696 C HIS E 35 116.017 -11.054 -8.241 1.00 0.00 C ATOM 697 O HIS E 35 116.440 -12.152 -7.872 1.00 0.00 O ATOM 698 CB HIS E 35 114.888 -9.645 -6.493 1.00 0.00 C ATOM 699 CG HIS E 35 114.738 -10.806 -5.539 1.00 0.00 C ATOM 700 ND1 HIS E 35 115.474 -10.899 -4.368 1.00 0.00 N ATOM 701 CD2 HIS E 35 113.948 -11.930 -5.576 1.00 0.00 C ATOM 702 CE1 HIS E 35 115.116 -12.041 -3.753 1.00 0.00 C ATOM 703 NE2 HIS E 35 114.190 -12.708 -4.447 1.00 0.00 N ATOM 0 H HIS E 35 115.519 -8.083 -8.315 1.00 0.00 H new ATOM 0 HA HIS E 35 117.016 -9.971 -6.688 1.00 0.00 H new ATOM 0 HB2 HIS E 35 114.941 -8.710 -5.935 1.00 0.00 H new ATOM 0 HB3 HIS E 35 114.014 -9.581 -7.141 1.00 0.00 H new ATOM 0 HD2 HIS E 35 113.247 -12.173 -6.361 1.00 0.00 H new ATOM 0 HE1 HIS E 35 115.527 -12.377 -2.813 1.00 0.00 H new ATOM 0 HE2 HIS E 35 113.754 -13.597 -4.202 1.00 0.00 H new ATOM 712 N ASP E 36 115.395 -10.858 -9.411 1.00 0.00 N ATOM 713 CA ASP E 36 115.167 -11.959 -10.356 1.00 0.00 C ATOM 714 C ASP E 36 116.479 -12.595 -10.829 1.00 0.00 C ATOM 715 O ASP E 36 116.566 -13.822 -10.937 1.00 0.00 O ATOM 716 CB ASP E 36 114.379 -11.449 -11.572 1.00 0.00 C ATOM 717 CG ASP E 36 113.967 -12.620 -12.470 1.00 0.00 C ATOM 718 OD1 ASP E 36 112.949 -13.231 -12.186 1.00 0.00 O ATOM 719 OD2 ASP E 36 114.678 -12.891 -13.425 1.00 0.00 O ATOM 0 H ASP E 36 115.043 -9.954 -9.724 1.00 0.00 H new ATOM 0 HA ASP E 36 114.595 -12.724 -9.832 1.00 0.00 H new ATOM 0 HB2 ASP E 36 113.493 -10.909 -11.239 1.00 0.00 H new ATOM 0 HB3 ASP E 36 114.988 -10.744 -12.139 1.00 0.00 H new ATOM 724 N ASP E 37 117.484 -11.761 -11.125 1.00 0.00 N ATOM 725 CA ASP E 37 118.780 -12.259 -11.608 1.00 0.00 C ATOM 726 C ASP E 37 119.948 -11.550 -10.896 1.00 0.00 C ATOM 727 O ASP E 37 120.534 -10.600 -11.429 1.00 0.00 O ATOM 728 CB ASP E 37 118.867 -12.050 -13.131 1.00 0.00 C ATOM 729 CG ASP E 37 119.978 -12.915 -13.739 1.00 0.00 C ATOM 730 OD1 ASP E 37 121.114 -12.782 -13.313 1.00 0.00 O ATOM 731 OD2 ASP E 37 119.678 -13.693 -14.632 1.00 0.00 O ATOM 0 H ASP E 37 117.427 -10.746 -11.040 1.00 0.00 H new ATOM 0 HA ASP E 37 118.856 -13.323 -11.382 1.00 0.00 H new ATOM 0 HB2 ASP E 37 117.912 -12.301 -13.592 1.00 0.00 H new ATOM 0 HB3 ASP E 37 119.059 -10.999 -13.348 1.00 0.00 H new ATOM 736 N PRO E 38 120.296 -11.998 -9.704 1.00 0.00 N ATOM 737 CA PRO E 38 121.415 -11.399 -8.911 1.00 0.00 C ATOM 738 C PRO E 38 122.760 -11.491 -9.642 1.00 0.00 C ATOM 739 O PRO E 38 123.645 -10.660 -9.427 1.00 0.00 O ATOM 740 CB PRO E 38 121.437 -12.206 -7.604 1.00 0.00 C ATOM 741 CG PRO E 38 120.126 -12.920 -7.542 1.00 0.00 C ATOM 742 CD PRO E 38 119.667 -13.116 -8.984 1.00 0.00 C ATOM 0 HA PRO E 38 121.260 -10.333 -8.743 1.00 0.00 H new ATOM 0 HB2 PRO E 38 122.267 -12.912 -7.595 1.00 0.00 H new ATOM 0 HB3 PRO E 38 121.566 -11.551 -6.742 1.00 0.00 H new ATOM 0 HG2 PRO E 38 120.231 -13.879 -7.035 1.00 0.00 H new ATOM 0 HG3 PRO E 38 119.395 -12.340 -6.978 1.00 0.00 H new ATOM 0 HD2 PRO E 38 119.989 -14.079 -9.380 1.00 0.00 H new ATOM 0 HD3 PRO E 38 118.581 -13.085 -9.066 1.00 0.00 H new ATOM 750 N SER E 39 122.905 -12.505 -10.502 1.00 0.00 N ATOM 751 CA SER E 39 124.148 -12.688 -11.261 1.00 0.00 C ATOM 752 C SER E 39 124.407 -11.469 -12.152 1.00 0.00 C ATOM 753 O SER E 39 125.554 -11.042 -12.314 1.00 0.00 O ATOM 754 CB SER E 39 124.071 -13.956 -12.119 1.00 0.00 C ATOM 755 OG SER E 39 125.366 -14.261 -12.628 1.00 0.00 O ATOM 0 H SER E 39 122.186 -13.204 -10.689 1.00 0.00 H new ATOM 0 HA SER E 39 124.972 -12.793 -10.555 1.00 0.00 H new ATOM 0 HB2 SER E 39 123.696 -14.789 -11.524 1.00 0.00 H new ATOM 0 HB3 SER E 39 123.370 -13.811 -12.941 1.00 0.00 H new ATOM 0 HG SER E 39 125.319 -15.072 -13.176 1.00 0.00 H new ATOM 761 N GLN E 40 123.324 -10.915 -12.711 1.00 0.00 N ATOM 762 CA GLN E 40 123.407 -9.731 -13.577 1.00 0.00 C ATOM 763 C GLN E 40 123.175 -8.450 -12.774 1.00 0.00 C ATOM 764 O GLN E 40 123.015 -7.380 -13.355 1.00 0.00 O ATOM 765 CB GLN E 40 122.341 -9.814 -14.682 1.00 0.00 C ATOM 766 CG GLN E 40 122.655 -10.970 -15.628 1.00 0.00 C ATOM 767 CD GLN E 40 121.646 -11.003 -16.777 1.00 0.00 C ATOM 768 OE1 GLN E 40 121.730 -10.194 -17.700 1.00 0.00 O ATOM 769 NE2 GLN E 40 120.694 -11.895 -16.774 1.00 0.00 N ATOM 0 H GLN E 40 122.377 -11.269 -12.579 1.00 0.00 H new ATOM 0 HA GLN E 40 124.405 -9.706 -14.015 1.00 0.00 H new ATOM 0 HB2 GLN E 40 121.356 -9.955 -14.238 1.00 0.00 H new ATOM 0 HB3 GLN E 40 122.309 -8.877 -15.238 1.00 0.00 H new ATOM 0 HG2 GLN E 40 123.665 -10.861 -16.024 1.00 0.00 H new ATOM 0 HG3 GLN E 40 122.627 -11.913 -15.083 1.00 0.00 H new ATOM 0 HE21 GLN E 40 120.625 -12.565 -16.008 1.00 0.00 H new ATOM 0 HE22 GLN E 40 120.018 -11.922 -17.538 1.00 0.00 H new ATOM 778 N SER E 41 123.134 -8.565 -11.442 1.00 0.00 N ATOM 779 CA SER E 41 122.876 -7.408 -10.580 1.00 0.00 C ATOM 780 C SER E 41 123.730 -6.194 -10.949 1.00 0.00 C ATOM 781 O SER E 41 123.237 -5.073 -10.895 1.00 0.00 O ATOM 782 CB SER E 41 123.114 -7.771 -9.117 1.00 0.00 C ATOM 783 OG SER E 41 124.481 -8.116 -8.924 1.00 0.00 O ATOM 0 H SER E 41 123.275 -9.442 -10.941 1.00 0.00 H new ATOM 0 HA SER E 41 121.832 -7.134 -10.732 1.00 0.00 H new ATOM 0 HB2 SER E 41 122.847 -6.931 -8.476 1.00 0.00 H new ATOM 0 HB3 SER E 41 122.474 -8.606 -8.831 1.00 0.00 H new ATOM 0 HG SER E 41 124.596 -9.081 -9.053 1.00 0.00 H new ATOM 789 N ALA E 42 124.992 -6.415 -11.330 1.00 0.00 N ATOM 790 CA ALA E 42 125.867 -5.297 -11.703 1.00 0.00 C ATOM 791 C ALA E 42 125.377 -4.634 -12.988 1.00 0.00 C ATOM 792 O ALA E 42 125.237 -3.408 -13.046 1.00 0.00 O ATOM 793 CB ALA E 42 127.306 -5.783 -11.893 1.00 0.00 C ATOM 0 H ALA E 42 125.425 -7.337 -11.388 1.00 0.00 H new ATOM 0 HA ALA E 42 125.841 -4.565 -10.896 1.00 0.00 H new ATOM 0 HB1 ALA E 42 127.941 -4.941 -12.169 1.00 0.00 H new ATOM 0 HB2 ALA E 42 127.668 -6.221 -10.963 1.00 0.00 H new ATOM 0 HB3 ALA E 42 127.335 -6.534 -12.683 1.00 0.00 H new ATOM 799 N ASN E 43 125.104 -5.454 -14.009 1.00 0.00 N ATOM 800 CA ASN E 43 124.612 -4.939 -15.286 1.00 0.00 C ATOM 801 C ASN E 43 123.263 -4.267 -15.092 1.00 0.00 C ATOM 802 O ASN E 43 123.019 -3.182 -15.621 1.00 0.00 O ATOM 803 CB ASN E 43 124.476 -6.082 -16.299 1.00 0.00 C ATOM 804 CG ASN E 43 125.851 -6.478 -16.820 1.00 0.00 C ATOM 805 OD1 ASN E 43 126.325 -7.584 -16.563 1.00 0.00 O ATOM 806 ND2 ASN E 43 126.520 -5.629 -17.548 1.00 0.00 N ATOM 0 H ASN E 43 125.215 -6.467 -13.975 1.00 0.00 H new ATOM 0 HA ASN E 43 125.326 -4.208 -15.666 1.00 0.00 H new ATOM 0 HB2 ASN E 43 123.994 -6.940 -15.830 1.00 0.00 H new ATOM 0 HB3 ASN E 43 123.839 -5.772 -17.127 1.00 0.00 H new ATOM 0 HD21 ASN E 43 127.441 -5.880 -17.908 1.00 0.00 H new ATOM 0 HD22 ASN E 43 126.123 -4.713 -17.758 1.00 0.00 H new ATOM 813 N LEU E 44 122.402 -4.926 -14.319 1.00 0.00 N ATOM 814 CA LEU E 44 121.070 -4.413 -14.028 1.00 0.00 C ATOM 815 C LEU E 44 121.171 -3.084 -13.289 1.00 0.00 C ATOM 816 O LEU E 44 120.400 -2.157 -13.557 1.00 0.00 O ATOM 817 CB LEU E 44 120.293 -5.428 -13.175 1.00 0.00 C ATOM 818 CG LEU E 44 120.063 -6.724 -13.977 1.00 0.00 C ATOM 819 CD1 LEU E 44 119.603 -7.848 -13.037 1.00 0.00 C ATOM 820 CD2 LEU E 44 118.995 -6.484 -15.055 1.00 0.00 C ATOM 0 H LEU E 44 122.608 -5.824 -13.881 1.00 0.00 H new ATOM 0 HA LEU E 44 120.539 -4.256 -14.967 1.00 0.00 H new ATOM 0 HB2 LEU E 44 120.847 -5.649 -12.263 1.00 0.00 H new ATOM 0 HB3 LEU E 44 119.336 -5.004 -12.872 1.00 0.00 H new ATOM 0 HG LEU E 44 120.998 -7.017 -14.454 1.00 0.00 H new ATOM 0 HD11 LEU E 44 119.443 -8.760 -13.612 1.00 0.00 H new ATOM 0 HD12 LEU E 44 120.367 -8.025 -12.281 1.00 0.00 H new ATOM 0 HD13 LEU E 44 118.672 -7.557 -12.551 1.00 0.00 H new ATOM 0 HD21 LEU E 44 118.835 -7.402 -15.620 1.00 0.00 H new ATOM 0 HD22 LEU E 44 118.061 -6.182 -14.581 1.00 0.00 H new ATOM 0 HD23 LEU E 44 119.330 -5.697 -15.730 1.00 0.00 H new ATOM 832 N LEU E 45 122.134 -2.991 -12.363 1.00 0.00 N ATOM 833 CA LEU E 45 122.321 -1.758 -11.607 1.00 0.00 C ATOM 834 C LEU E 45 122.770 -0.646 -12.538 1.00 0.00 C ATOM 835 O LEU E 45 122.370 0.501 -12.367 1.00 0.00 O ATOM 836 CB LEU E 45 123.361 -1.926 -10.482 1.00 0.00 C ATOM 837 CG LEU E 45 122.802 -1.407 -9.146 1.00 0.00 C ATOM 838 CD1 LEU E 45 123.930 -1.374 -8.112 1.00 0.00 C ATOM 839 CD2 LEU E 45 122.186 0.007 -9.316 1.00 0.00 C ATOM 0 H LEU E 45 122.782 -3.742 -12.126 1.00 0.00 H new ATOM 0 HA LEU E 45 121.364 -1.506 -11.151 1.00 0.00 H new ATOM 0 HB2 LEU E 45 123.633 -2.977 -10.385 1.00 0.00 H new ATOM 0 HB3 LEU E 45 124.271 -1.383 -10.737 1.00 0.00 H new ATOM 0 HG LEU E 45 122.012 -2.076 -8.806 1.00 0.00 H new ATOM 0 HD11 LEU E 45 123.542 -1.007 -7.162 1.00 0.00 H new ATOM 0 HD12 LEU E 45 124.329 -2.379 -7.977 1.00 0.00 H new ATOM 0 HD13 LEU E 45 124.723 -0.712 -8.460 1.00 0.00 H new ATOM 0 HD21 LEU E 45 121.798 0.352 -8.358 1.00 0.00 H new ATOM 0 HD22 LEU E 45 122.952 0.698 -9.667 1.00 0.00 H new ATOM 0 HD23 LEU E 45 121.375 -0.035 -10.043 1.00 0.00 H new ATOM 851 N ALA E 46 123.598 -0.997 -13.530 1.00 0.00 N ATOM 852 CA ALA E 46 124.090 -0.013 -14.496 1.00 0.00 C ATOM 853 C ALA E 46 122.909 0.688 -15.160 1.00 0.00 C ATOM 854 O ALA E 46 122.955 1.890 -15.431 1.00 0.00 O ATOM 855 CB ALA E 46 124.944 -0.707 -15.564 1.00 0.00 C ATOM 0 H ALA E 46 123.938 -1.947 -13.682 1.00 0.00 H new ATOM 0 HA ALA E 46 124.702 0.723 -13.974 1.00 0.00 H new ATOM 0 HB1 ALA E 46 125.306 0.033 -16.278 1.00 0.00 H new ATOM 0 HB2 ALA E 46 125.793 -1.198 -15.088 1.00 0.00 H new ATOM 0 HB3 ALA E 46 124.341 -1.450 -16.086 1.00 0.00 H new ATOM 861 N GLU E 47 121.846 -0.084 -15.392 1.00 0.00 N ATOM 862 CA GLU E 47 120.629 0.442 -16.004 1.00 0.00 C ATOM 863 C GLU E 47 119.949 1.400 -15.055 1.00 0.00 C ATOM 864 O GLU E 47 119.456 2.449 -15.470 1.00 0.00 O ATOM 865 CB GLU E 47 119.644 -0.692 -16.299 1.00 0.00 C ATOM 866 CG GLU E 47 120.398 -1.887 -16.853 1.00 0.00 C ATOM 867 CD GLU E 47 119.431 -2.882 -17.498 1.00 0.00 C ATOM 868 OE1 GLU E 47 118.647 -3.471 -16.771 1.00 0.00 O ATOM 869 OE2 GLU E 47 119.486 -3.039 -18.707 1.00 0.00 O ATOM 0 H GLU E 47 121.805 -1.077 -15.164 1.00 0.00 H new ATOM 0 HA GLU E 47 120.910 0.947 -16.928 1.00 0.00 H new ATOM 0 HB2 GLU E 47 119.114 -0.973 -15.389 1.00 0.00 H new ATOM 0 HB3 GLU E 47 118.893 -0.359 -17.015 1.00 0.00 H new ATOM 0 HG2 GLU E 47 121.129 -1.553 -17.589 1.00 0.00 H new ATOM 0 HG3 GLU E 47 120.952 -2.377 -16.053 1.00 0.00 H new ATOM 876 N ALA E 48 119.918 1.015 -13.778 1.00 0.00 N ATOM 877 CA ALA E 48 119.283 1.828 -12.770 1.00 0.00 C ATOM 878 C ALA E 48 120.113 3.075 -12.518 1.00 0.00 C ATOM 879 O ALA E 48 119.572 4.141 -12.232 1.00 0.00 O ATOM 880 CB ALA E 48 119.072 1.046 -11.479 1.00 0.00 C ATOM 0 H ALA E 48 120.326 0.147 -13.430 1.00 0.00 H new ATOM 0 HA ALA E 48 118.299 2.125 -13.134 1.00 0.00 H new ATOM 0 HB1 ALA E 48 118.592 1.687 -10.740 1.00 0.00 H new ATOM 0 HB2 ALA E 48 118.438 0.182 -11.677 1.00 0.00 H new ATOM 0 HB3 ALA E 48 120.035 0.709 -11.096 1.00 0.00 H new ATOM 886 N LYS E 49 121.436 2.931 -12.651 1.00 0.00 N ATOM 887 CA LYS E 49 122.337 4.056 -12.469 1.00 0.00 C ATOM 888 C LYS E 49 122.105 5.033 -13.613 1.00 0.00 C ATOM 889 O LYS E 49 121.974 6.239 -13.401 1.00 0.00 O ATOM 890 CB LYS E 49 123.803 3.590 -12.436 1.00 0.00 C ATOM 891 CG LYS E 49 124.464 3.974 -11.095 1.00 0.00 C ATOM 892 CD LYS E 49 124.190 2.887 -10.049 1.00 0.00 C ATOM 893 CE LYS E 49 125.142 1.697 -10.255 1.00 0.00 C ATOM 894 NZ LYS E 49 126.534 2.098 -9.889 1.00 0.00 N ATOM 0 H LYS E 49 121.896 2.051 -12.882 1.00 0.00 H new ATOM 0 HA LYS E 49 122.136 4.542 -11.514 1.00 0.00 H new ATOM 0 HB2 LYS E 49 123.850 2.510 -12.575 1.00 0.00 H new ATOM 0 HB3 LYS E 49 124.353 4.042 -13.261 1.00 0.00 H new ATOM 0 HG2 LYS E 49 125.538 4.098 -11.231 1.00 0.00 H new ATOM 0 HG3 LYS E 49 124.075 4.931 -10.748 1.00 0.00 H new ATOM 0 HD2 LYS E 49 124.319 3.296 -9.047 1.00 0.00 H new ATOM 0 HD3 LYS E 49 123.156 2.552 -10.125 1.00 0.00 H new ATOM 0 HE2 LYS E 49 124.823 0.853 -9.643 1.00 0.00 H new ATOM 0 HE3 LYS E 49 125.109 1.368 -11.294 1.00 0.00 H new ATOM 0 HZ1 LYS E 49 127.144 2.039 -10.729 1.00 0.00 H new ATOM 0 HZ2 LYS E 49 126.531 3.074 -9.531 1.00 0.00 H new ATOM 0 HZ3 LYS E 49 126.897 1.460 -9.152 1.00 0.00 H new ATOM 908 N LYS E 50 121.994 4.483 -14.830 1.00 0.00 N ATOM 909 CA LYS E 50 121.702 5.292 -16.004 1.00 0.00 C ATOM 910 C LYS E 50 120.324 5.927 -15.811 1.00 0.00 C ATOM 911 O LYS E 50 120.090 7.064 -16.217 1.00 0.00 O ATOM 912 CB LYS E 50 121.727 4.415 -17.261 1.00 0.00 C ATOM 913 CG LYS E 50 123.186 4.059 -17.617 1.00 0.00 C ATOM 914 CD LYS E 50 123.244 2.765 -18.455 1.00 0.00 C ATOM 915 CE LYS E 50 122.459 2.928 -19.762 1.00 0.00 C ATOM 916 NZ LYS E 50 123.086 3.991 -20.602 1.00 0.00 N ATOM 0 H LYS E 50 122.103 3.487 -15.019 1.00 0.00 H new ATOM 0 HA LYS E 50 122.452 6.073 -16.128 1.00 0.00 H new ATOM 0 HB2 LYS E 50 121.151 3.505 -17.093 1.00 0.00 H new ATOM 0 HB3 LYS E 50 121.257 4.941 -18.092 1.00 0.00 H new ATOM 0 HG2 LYS E 50 123.640 4.879 -18.174 1.00 0.00 H new ATOM 0 HG3 LYS E 50 123.768 3.933 -16.704 1.00 0.00 H new ATOM 0 HD2 LYS E 50 124.282 2.516 -18.677 1.00 0.00 H new ATOM 0 HD3 LYS E 50 122.833 1.935 -17.880 1.00 0.00 H new ATOM 0 HE2 LYS E 50 122.443 1.984 -20.307 1.00 0.00 H new ATOM 0 HE3 LYS E 50 121.423 3.188 -19.544 1.00 0.00 H new ATOM 0 HZ1 LYS E 50 122.707 3.938 -21.569 1.00 0.00 H new ATOM 0 HZ2 LYS E 50 122.872 4.925 -20.197 1.00 0.00 H new ATOM 0 HZ3 LYS E 50 124.116 3.852 -20.626 1.00 0.00 H new ATOM 930 N LEU E 51 119.443 5.178 -15.134 1.00 0.00 N ATOM 931 CA LEU E 51 118.096 5.648 -14.808 1.00 0.00 C ATOM 932 C LEU E 51 118.212 6.805 -13.819 1.00 0.00 C ATOM 933 O LEU E 51 117.483 7.797 -13.911 1.00 0.00 O ATOM 934 CB LEU E 51 117.307 4.504 -14.150 1.00 0.00 C ATOM 935 CG LEU E 51 116.012 4.157 -14.899 1.00 0.00 C ATOM 936 CD1 LEU E 51 115.006 5.318 -14.818 1.00 0.00 C ATOM 937 CD2 LEU E 51 116.313 3.809 -16.369 1.00 0.00 C ATOM 0 H LEU E 51 119.645 4.236 -14.800 1.00 0.00 H new ATOM 0 HA LEU E 51 117.583 5.974 -15.713 1.00 0.00 H new ATOM 0 HB2 LEU E 51 117.939 3.617 -14.099 1.00 0.00 H new ATOM 0 HB3 LEU E 51 117.063 4.781 -13.124 1.00 0.00 H new ATOM 0 HG LEU E 51 115.567 3.284 -14.420 1.00 0.00 H new ATOM 0 HD11 LEU E 51 114.097 5.050 -15.356 1.00 0.00 H new ATOM 0 HD12 LEU E 51 114.765 5.518 -13.774 1.00 0.00 H new ATOM 0 HD13 LEU E 51 115.443 6.210 -15.267 1.00 0.00 H new ATOM 0 HD21 LEU E 51 115.383 3.566 -16.883 1.00 0.00 H new ATOM 0 HD22 LEU E 51 116.784 4.663 -16.856 1.00 0.00 H new ATOM 0 HD23 LEU E 51 116.985 2.952 -16.410 1.00 0.00 H new ATOM 949 N ASN E 52 119.157 6.658 -12.871 1.00 0.00 N ATOM 950 CA ASN E 52 119.411 7.677 -11.854 1.00 0.00 C ATOM 951 C ASN E 52 119.723 9.002 -12.552 1.00 0.00 C ATOM 952 O ASN E 52 119.245 10.066 -12.146 1.00 0.00 O ATOM 953 CB ASN E 52 120.589 7.242 -10.947 1.00 0.00 C ATOM 954 CG ASN E 52 120.648 8.125 -9.700 1.00 0.00 C ATOM 955 OD1 ASN E 52 119.672 8.228 -8.960 1.00 0.00 O ATOM 956 ND2 ASN E 52 121.747 8.773 -9.422 1.00 0.00 N ATOM 0 H ASN E 52 119.756 5.836 -12.795 1.00 0.00 H new ATOM 0 HA ASN E 52 118.531 7.801 -11.223 1.00 0.00 H new ATOM 0 HB2 ASN E 52 120.468 6.198 -10.657 1.00 0.00 H new ATOM 0 HB3 ASN E 52 121.527 7.314 -11.497 1.00 0.00 H new ATOM 0 HD21 ASN E 52 121.795 9.364 -8.592 1.00 0.00 H new ATOM 0 HD22 ASN E 52 122.558 8.689 -10.035 1.00 0.00 H new ATOM 963 N ASP E 53 120.501 8.900 -13.635 1.00 0.00 N ATOM 964 CA ASP E 53 120.862 10.059 -14.451 1.00 0.00 C ATOM 965 C ASP E 53 119.711 10.420 -15.406 1.00 0.00 C ATOM 966 O ASP E 53 119.558 11.578 -15.803 1.00 0.00 O ATOM 967 CB ASP E 53 122.131 9.752 -15.267 1.00 0.00 C ATOM 968 CG ASP E 53 123.321 9.460 -14.344 1.00 0.00 C ATOM 969 OD1 ASP E 53 123.568 10.251 -13.444 1.00 0.00 O ATOM 970 OD2 ASP E 53 123.979 8.458 -14.563 1.00 0.00 O ATOM 0 H ASP E 53 120.894 8.019 -13.967 1.00 0.00 H new ATOM 0 HA ASP E 53 121.052 10.904 -13.789 1.00 0.00 H new ATOM 0 HB2 ASP E 53 121.951 8.895 -15.917 1.00 0.00 H new ATOM 0 HB3 ASP E 53 122.366 10.598 -15.913 1.00 0.00 H new ATOM 975 N ALA E 54 118.921 9.406 -15.782 1.00 0.00 N ATOM 976 CA ALA E 54 117.791 9.589 -16.704 1.00 0.00 C ATOM 977 C ALA E 54 116.677 10.424 -16.073 1.00 0.00 C ATOM 978 O ALA E 54 115.898 11.057 -16.790 1.00 0.00 O ATOM 979 CB ALA E 54 117.217 8.224 -17.116 1.00 0.00 C ATOM 0 H ALA E 54 119.044 8.446 -15.460 1.00 0.00 H new ATOM 0 HA ALA E 54 118.169 10.118 -17.579 1.00 0.00 H new ATOM 0 HB1 ALA E 54 116.381 8.372 -17.799 1.00 0.00 H new ATOM 0 HB2 ALA E 54 117.991 7.638 -17.612 1.00 0.00 H new ATOM 0 HB3 ALA E 54 116.872 7.692 -16.230 1.00 0.00 H new ATOM 985 N GLN E 55 116.606 10.407 -14.738 1.00 0.00 N ATOM 986 CA GLN E 55 115.576 11.156 -14.006 1.00 0.00 C ATOM 987 C GLN E 55 116.219 12.141 -13.034 1.00 0.00 C ATOM 988 O GLN E 55 115.539 12.767 -12.216 1.00 0.00 O ATOM 989 CB GLN E 55 114.646 10.175 -13.274 1.00 0.00 C ATOM 990 CG GLN E 55 114.017 9.230 -14.315 1.00 0.00 C ATOM 991 CD GLN E 55 112.871 8.397 -13.727 1.00 0.00 C ATOM 992 OE1 GLN E 55 112.263 7.602 -14.443 1.00 0.00 O ATOM 993 NE2 GLN E 55 112.525 8.529 -12.476 1.00 0.00 N ATOM 0 H GLN E 55 117.248 9.884 -14.142 1.00 0.00 H new ATOM 0 HA GLN E 55 114.981 11.734 -14.713 1.00 0.00 H new ATOM 0 HB2 GLN E 55 115.205 9.604 -12.533 1.00 0.00 H new ATOM 0 HB3 GLN E 55 113.869 10.719 -12.737 1.00 0.00 H new ATOM 0 HG2 GLN E 55 113.644 9.815 -15.155 1.00 0.00 H new ATOM 0 HG3 GLN E 55 114.784 8.563 -14.707 1.00 0.00 H new ATOM 0 HE21 GLN E 55 113.024 9.186 -11.876 1.00 0.00 H new ATOM 0 HE22 GLN E 55 111.756 7.976 -12.098 1.00 0.00 H new ATOM 1002 N ALA E 56 117.543 12.261 -13.148 1.00 0.00 N ATOM 1003 CA ALA E 56 118.337 13.138 -12.316 1.00 0.00 C ATOM 1004 C ALA E 56 117.827 14.580 -12.350 1.00 0.00 C ATOM 1005 O ALA E 56 117.118 14.983 -13.277 1.00 0.00 O ATOM 1006 CB ALA E 56 119.794 13.087 -12.787 1.00 0.00 C ATOM 0 H ALA E 56 118.092 11.741 -13.833 1.00 0.00 H new ATOM 0 HA ALA E 56 118.259 12.793 -11.285 1.00 0.00 H new ATOM 0 HB1 ALA E 56 120.401 13.745 -12.165 1.00 0.00 H new ATOM 0 HB2 ALA E 56 120.167 12.066 -12.706 1.00 0.00 H new ATOM 0 HB3 ALA E 56 119.852 13.413 -13.825 1.00 0.00 H new ATOM 1013 N GLY F 14 120.416 10.979 8.922 1.00 0.00 N ATOM 1014 CA GLY F 14 119.465 10.434 9.893 1.00 0.00 C ATOM 1015 C GLY F 14 119.670 8.943 10.089 1.00 0.00 C ATOM 1016 O GLY F 14 120.702 8.390 9.705 1.00 0.00 O ATOM 0 HA2 GLY F 14 119.582 10.948 10.847 1.00 0.00 H new ATOM 0 HA3 GLY F 14 118.447 10.622 9.552 1.00 0.00 H new ATOM 1020 N GLU F 15 118.670 8.303 10.690 1.00 0.00 N ATOM 1021 CA GLU F 15 118.716 6.874 10.942 1.00 0.00 C ATOM 1022 C GLU F 15 118.613 6.113 9.635 1.00 0.00 C ATOM 1023 O GLU F 15 117.906 6.533 8.718 1.00 0.00 O ATOM 1024 CB GLU F 15 117.546 6.458 11.833 1.00 0.00 C ATOM 1025 CG GLU F 15 117.783 5.042 12.357 1.00 0.00 C ATOM 1026 CD GLU F 15 116.626 4.604 13.263 1.00 0.00 C ATOM 1027 OE1 GLU F 15 115.523 4.460 12.756 1.00 0.00 O ATOM 1028 OE2 GLU F 15 116.860 4.414 14.446 1.00 0.00 O ATOM 0 H GLU F 15 117.816 8.759 11.011 1.00 0.00 H new ATOM 0 HA GLU F 15 119.660 6.645 11.436 1.00 0.00 H new ATOM 0 HB2 GLU F 15 117.444 7.153 12.666 1.00 0.00 H new ATOM 0 HB3 GLU F 15 116.614 6.497 11.269 1.00 0.00 H new ATOM 0 HG2 GLU F 15 117.880 4.350 11.521 1.00 0.00 H new ATOM 0 HG3 GLU F 15 118.721 5.005 12.911 1.00 0.00 H new ATOM 1035 N ILE F 16 119.305 4.988 9.568 1.00 0.00 N ATOM 1036 CA ILE F 16 119.282 4.149 8.380 1.00 0.00 C ATOM 1037 C ILE F 16 118.681 2.784 8.710 1.00 0.00 C ATOM 1038 O ILE F 16 118.920 2.230 9.786 1.00 0.00 O ATOM 1039 CB ILE F 16 120.696 3.985 7.833 1.00 0.00 C ATOM 1040 CG1 ILE F 16 121.250 5.351 7.377 1.00 0.00 C ATOM 1041 CG2 ILE F 16 120.668 3.010 6.650 1.00 0.00 C ATOM 1042 CD1 ILE F 16 122.700 5.205 6.887 1.00 0.00 C ATOM 0 H ILE F 16 119.891 4.633 10.324 1.00 0.00 H new ATOM 0 HA ILE F 16 118.663 4.627 7.621 1.00 0.00 H new ATOM 0 HB ILE F 16 121.344 3.591 8.616 1.00 0.00 H new ATOM 0 HG12 ILE F 16 120.628 5.754 6.578 1.00 0.00 H new ATOM 0 HG13 ILE F 16 121.208 6.061 8.203 1.00 0.00 H new ATOM 0 HG21 ILE F 16 121.676 2.889 6.255 1.00 0.00 H new ATOM 0 HG22 ILE F 16 120.290 2.044 6.984 1.00 0.00 H new ATOM 0 HG23 ILE F 16 120.017 3.404 5.869 1.00 0.00 H new ATOM 0 HD11 ILE F 16 123.076 6.177 6.569 1.00 0.00 H new ATOM 0 HD12 ILE F 16 123.321 4.823 7.697 1.00 0.00 H new ATOM 0 HD13 ILE F 16 122.732 4.511 6.047 1.00 0.00 H new ATOM 1054 N VAL F 17 117.894 2.267 7.767 1.00 0.00 N ATOM 1055 CA VAL F 17 117.224 0.975 7.919 1.00 0.00 C ATOM 1056 C VAL F 17 117.554 0.063 6.736 1.00 0.00 C ATOM 1057 O VAL F 17 117.191 0.370 5.599 1.00 0.00 O ATOM 1058 CB VAL F 17 115.711 1.245 7.987 1.00 0.00 C ATOM 1059 CG1 VAL F 17 114.897 -0.027 7.686 1.00 0.00 C ATOM 1060 CG2 VAL F 17 115.350 1.766 9.386 1.00 0.00 C ATOM 0 H VAL F 17 117.703 2.730 6.878 1.00 0.00 H new ATOM 0 HA VAL F 17 117.561 0.472 8.825 1.00 0.00 H new ATOM 0 HB VAL F 17 115.464 1.991 7.231 1.00 0.00 H new ATOM 0 HG11 VAL F 17 113.832 0.200 7.743 1.00 0.00 H new ATOM 0 HG12 VAL F 17 115.139 -0.385 6.685 1.00 0.00 H new ATOM 0 HG13 VAL F 17 115.143 -0.798 8.417 1.00 0.00 H new ATOM 0 HG21 VAL F 17 114.278 1.958 9.437 1.00 0.00 H new ATOM 0 HG22 VAL F 17 115.621 1.020 10.133 1.00 0.00 H new ATOM 0 HG23 VAL F 17 115.894 2.690 9.582 1.00 0.00 H new ATOM 1070 N TYR F 18 118.229 -1.062 7.019 1.00 0.00 N ATOM 1071 CA TYR F 18 118.601 -2.025 5.977 1.00 0.00 C ATOM 1072 C TYR F 18 117.588 -3.155 5.897 1.00 0.00 C ATOM 1073 O TYR F 18 117.151 -3.686 6.923 1.00 0.00 O ATOM 1074 CB TYR F 18 120.013 -2.589 6.248 1.00 0.00 C ATOM 1075 CG TYR F 18 121.026 -1.772 5.474 1.00 0.00 C ATOM 1076 CD1 TYR F 18 121.018 -0.379 5.584 1.00 0.00 C ATOM 1077 CD2 TYR F 18 121.946 -2.397 4.619 1.00 0.00 C ATOM 1078 CE1 TYR F 18 121.916 0.387 4.849 1.00 0.00 C ATOM 1079 CE2 TYR F 18 122.847 -1.627 3.888 1.00 0.00 C ATOM 1080 CZ TYR F 18 122.831 -0.231 4.000 1.00 0.00 C ATOM 1081 OH TYR F 18 123.719 0.537 3.277 1.00 0.00 O ATOM 0 H TYR F 18 118.527 -1.325 7.959 1.00 0.00 H new ATOM 0 HA TYR F 18 118.608 -1.505 5.019 1.00 0.00 H new ATOM 0 HB2 TYR F 18 120.235 -2.552 7.315 1.00 0.00 H new ATOM 0 HB3 TYR F 18 120.065 -3.636 5.948 1.00 0.00 H new ATOM 0 HD1 TYR F 18 120.312 0.105 6.242 1.00 0.00 H new ATOM 0 HD2 TYR F 18 121.955 -3.473 4.528 1.00 0.00 H new ATOM 0 HE1 TYR F 18 121.904 1.463 4.937 1.00 0.00 H new ATOM 0 HE2 TYR F 18 123.559 -2.107 3.234 1.00 0.00 H new ATOM 0 HH TYR F 18 124.613 0.139 3.329 1.00 0.00 H new ATOM 1091 N LEU F 19 117.214 -3.499 4.659 1.00 0.00 N ATOM 1092 CA LEU F 19 116.223 -4.556 4.411 1.00 0.00 C ATOM 1093 C LEU F 19 116.824 -5.682 3.541 1.00 0.00 C ATOM 1094 O LEU F 19 116.489 -5.811 2.358 1.00 0.00 O ATOM 1095 CB LEU F 19 114.980 -3.944 3.720 1.00 0.00 C ATOM 1096 CG LEU F 19 114.567 -2.623 4.409 1.00 0.00 C ATOM 1097 CD1 LEU F 19 113.430 -1.959 3.621 1.00 0.00 C ATOM 1098 CD2 LEU F 19 114.100 -2.902 5.846 1.00 0.00 C ATOM 0 H LEU F 19 117.581 -3.062 3.814 1.00 0.00 H new ATOM 0 HA LEU F 19 115.928 -4.993 5.365 1.00 0.00 H new ATOM 0 HB2 LEU F 19 115.197 -3.759 2.668 1.00 0.00 H new ATOM 0 HB3 LEU F 19 114.152 -4.653 3.755 1.00 0.00 H new ATOM 0 HG LEU F 19 115.428 -1.955 4.436 1.00 0.00 H new ATOM 0 HD11 LEU F 19 113.143 -1.029 4.111 1.00 0.00 H new ATOM 0 HD12 LEU F 19 113.767 -1.746 2.606 1.00 0.00 H new ATOM 0 HD13 LEU F 19 112.572 -2.630 3.585 1.00 0.00 H new ATOM 0 HD21 LEU F 19 113.811 -1.965 6.323 1.00 0.00 H new ATOM 0 HD22 LEU F 19 113.245 -3.578 5.826 1.00 0.00 H new ATOM 0 HD23 LEU F 19 114.912 -3.361 6.410 1.00 0.00 H new ATOM 1110 N PRO F 20 117.706 -6.496 4.104 1.00 0.00 N ATOM 1111 CA PRO F 20 118.362 -7.624 3.368 1.00 0.00 C ATOM 1112 C PRO F 20 117.475 -8.870 3.244 1.00 0.00 C ATOM 1113 O PRO F 20 117.321 -9.419 2.150 1.00 0.00 O ATOM 1114 CB PRO F 20 119.598 -7.922 4.221 1.00 0.00 C ATOM 1115 CG PRO F 20 119.197 -7.573 5.615 1.00 0.00 C ATOM 1116 CD PRO F 20 118.185 -6.428 5.504 1.00 0.00 C ATOM 0 HA PRO F 20 118.585 -7.353 2.336 1.00 0.00 H new ATOM 0 HB2 PRO F 20 119.888 -8.970 4.144 1.00 0.00 H new ATOM 0 HB3 PRO F 20 120.454 -7.330 3.896 1.00 0.00 H new ATOM 0 HG2 PRO F 20 118.756 -8.433 6.118 1.00 0.00 H new ATOM 0 HG3 PRO F 20 120.063 -7.269 6.203 1.00 0.00 H new ATOM 0 HD2 PRO F 20 117.365 -6.552 6.211 1.00 0.00 H new ATOM 0 HD3 PRO F 20 118.649 -5.465 5.719 1.00 0.00 H new ATOM 1124 N ASN F 21 116.918 -9.323 4.376 1.00 0.00 N ATOM 1125 CA ASN F 21 116.070 -10.526 4.394 1.00 0.00 C ATOM 1126 C ASN F 21 114.625 -10.227 3.971 1.00 0.00 C ATOM 1127 O ASN F 21 113.778 -11.126 3.964 1.00 0.00 O ATOM 1128 CB ASN F 21 116.087 -11.151 5.798 1.00 0.00 C ATOM 1129 CG ASN F 21 117.496 -11.638 6.160 1.00 0.00 C ATOM 1130 OD1 ASN F 21 118.253 -12.076 5.293 1.00 0.00 O ATOM 1131 ND2 ASN F 21 117.890 -11.590 7.402 1.00 0.00 N ATOM 0 H ASN F 21 117.038 -8.879 5.286 1.00 0.00 H new ATOM 0 HA ASN F 21 116.481 -11.228 3.668 1.00 0.00 H new ATOM 0 HB2 ASN F 21 115.751 -10.418 6.531 1.00 0.00 H new ATOM 0 HB3 ASN F 21 115.387 -11.986 5.838 1.00 0.00 H new ATOM 0 HD21 ASN F 21 118.824 -11.915 7.654 1.00 0.00 H new ATOM 0 HD22 ASN F 21 117.265 -11.228 8.122 1.00 0.00 H new ATOM 1138 N LEU F 22 114.355 -8.975 3.600 1.00 0.00 N ATOM 1139 CA LEU F 22 113.017 -8.572 3.154 1.00 0.00 C ATOM 1140 C LEU F 22 112.774 -9.101 1.739 1.00 0.00 C ATOM 1141 O LEU F 22 113.728 -9.266 0.971 1.00 0.00 O ATOM 1142 CB LEU F 22 112.922 -7.040 3.157 1.00 0.00 C ATOM 1143 CG LEU F 22 111.489 -6.569 3.475 1.00 0.00 C ATOM 1144 CD1 LEU F 22 111.403 -6.138 4.949 1.00 0.00 C ATOM 1145 CD2 LEU F 22 111.135 -5.382 2.559 1.00 0.00 C ATOM 0 H LEU F 22 115.043 -8.222 3.599 1.00 0.00 H new ATOM 0 HA LEU F 22 112.265 -8.983 3.827 1.00 0.00 H new ATOM 0 HB2 LEU F 22 113.613 -6.632 3.894 1.00 0.00 H new ATOM 0 HB3 LEU F 22 113.227 -6.653 2.185 1.00 0.00 H new ATOM 0 HG LEU F 22 110.785 -7.383 3.303 1.00 0.00 H new ATOM 0 HD11 LEU F 22 110.389 -5.805 5.172 1.00 0.00 H new ATOM 0 HD12 LEU F 22 111.657 -6.982 5.590 1.00 0.00 H new ATOM 0 HD13 LEU F 22 112.101 -5.321 5.131 1.00 0.00 H new ATOM 0 HD21 LEU F 22 110.122 -5.043 2.778 1.00 0.00 H new ATOM 0 HD22 LEU F 22 111.837 -4.566 2.733 1.00 0.00 H new ATOM 0 HD23 LEU F 22 111.195 -5.696 1.517 1.00 0.00 H new ATOM 1157 N ASN F 23 111.505 -9.354 1.384 1.00 0.00 N ATOM 1158 CA ASN F 23 111.188 -9.852 0.041 1.00 0.00 C ATOM 1159 C ASN F 23 110.852 -8.671 -0.877 1.00 0.00 C ATOM 1160 O ASN F 23 110.384 -7.633 -0.400 1.00 0.00 O ATOM 1161 CB ASN F 23 110.023 -10.851 0.094 1.00 0.00 C ATOM 1162 CG ASN F 23 108.834 -10.250 0.828 1.00 0.00 C ATOM 1163 OD1 ASN F 23 108.110 -9.442 0.265 1.00 0.00 O ATOM 1164 ND2 ASN F 23 108.592 -10.598 2.061 1.00 0.00 N ATOM 0 H ASN F 23 110.698 -9.225 1.995 1.00 0.00 H new ATOM 0 HA ASN F 23 112.056 -10.375 -0.359 1.00 0.00 H new ATOM 0 HB2 ASN F 23 109.729 -11.129 -0.918 1.00 0.00 H new ATOM 0 HB3 ASN F 23 110.343 -11.764 0.596 1.00 0.00 H new ATOM 0 HD21 ASN F 23 107.797 -10.196 2.558 1.00 0.00 H new ATOM 0 HD22 ASN F 23 109.198 -11.272 2.529 1.00 0.00 H new ATOM 1171 N PRO F 24 111.105 -8.782 -2.170 1.00 0.00 N ATOM 1172 CA PRO F 24 110.836 -7.666 -3.130 1.00 0.00 C ATOM 1173 C PRO F 24 109.396 -7.166 -3.065 1.00 0.00 C ATOM 1174 O PRO F 24 109.148 -5.967 -3.226 1.00 0.00 O ATOM 1175 CB PRO F 24 111.154 -8.260 -4.509 1.00 0.00 C ATOM 1176 CG PRO F 24 112.037 -9.434 -4.245 1.00 0.00 C ATOM 1177 CD PRO F 24 111.667 -9.962 -2.859 1.00 0.00 C ATOM 0 HA PRO F 24 111.442 -6.790 -2.897 1.00 0.00 H new ATOM 0 HB2 PRO F 24 110.243 -8.563 -5.025 1.00 0.00 H new ATOM 0 HB3 PRO F 24 111.653 -7.529 -5.145 1.00 0.00 H new ATOM 0 HG2 PRO F 24 111.893 -10.204 -5.003 1.00 0.00 H new ATOM 0 HG3 PRO F 24 113.087 -9.144 -4.280 1.00 0.00 H new ATOM 0 HD2 PRO F 24 110.941 -10.773 -2.921 1.00 0.00 H new ATOM 0 HD3 PRO F 24 112.538 -10.354 -2.335 1.00 0.00 H new ATOM 1185 N ASP F 25 108.452 -8.080 -2.807 1.00 0.00 N ATOM 1186 CA ASP F 25 107.041 -7.700 -2.696 1.00 0.00 C ATOM 1187 C ASP F 25 106.896 -6.667 -1.585 1.00 0.00 C ATOM 1188 O ASP F 25 106.199 -5.658 -1.735 1.00 0.00 O ATOM 1189 CB ASP F 25 106.185 -8.929 -2.367 1.00 0.00 C ATOM 1190 CG ASP F 25 106.282 -9.965 -3.490 1.00 0.00 C ATOM 1191 OD1 ASP F 25 105.823 -9.673 -4.585 1.00 0.00 O ATOM 1192 OD2 ASP F 25 106.816 -11.036 -3.243 1.00 0.00 O ATOM 0 H ASP F 25 108.637 -9.074 -2.673 1.00 0.00 H new ATOM 0 HA ASP F 25 106.703 -7.282 -3.644 1.00 0.00 H new ATOM 0 HB2 ASP F 25 106.517 -9.370 -1.427 1.00 0.00 H new ATOM 0 HB3 ASP F 25 105.146 -8.630 -2.229 1.00 0.00 H new ATOM 1197 N GLN F 26 107.601 -6.929 -0.482 1.00 0.00 N ATOM 1198 CA GLN F 26 107.603 -6.028 0.659 1.00 0.00 C ATOM 1199 C GLN F 26 108.318 -4.721 0.303 1.00 0.00 C ATOM 1200 O GLN F 26 107.880 -3.651 0.719 1.00 0.00 O ATOM 1201 CB GLN F 26 108.268 -6.693 1.870 1.00 0.00 C ATOM 1202 CG GLN F 26 107.296 -7.678 2.539 1.00 0.00 C ATOM 1203 CD GLN F 26 106.214 -6.946 3.347 1.00 0.00 C ATOM 1204 OE1 GLN F 26 106.166 -5.638 3.365 1.00 0.00 O flip ATOM 1205 NE2 GLN F 26 105.381 -7.592 3.983 1.00 0.00 N flip ATOM 0 H GLN F 26 108.177 -7.762 -0.361 1.00 0.00 H new ATOM 0 HA GLN F 26 106.570 -5.798 0.920 1.00 0.00 H new ATOM 0 HB2 GLN F 26 109.170 -7.219 1.555 1.00 0.00 H new ATOM 0 HB3 GLN F 26 108.576 -5.932 2.587 1.00 0.00 H new ATOM 0 HG2 GLN F 26 106.824 -8.298 1.777 1.00 0.00 H new ATOM 0 HG3 GLN F 26 107.851 -8.347 3.196 1.00 0.00 H new ATOM 0 HE21 GLN F 26 105.411 -8.612 3.974 1.00 0.00 H new ATOM 0 HE22 GLN F 26 104.661 -7.108 4.519 1.00 0.00 H new ATOM 1214 N LEU F 27 109.410 -4.814 -0.480 1.00 0.00 N ATOM 1215 CA LEU F 27 110.157 -3.614 -0.890 1.00 0.00 C ATOM 1216 C LEU F 27 109.285 -2.707 -1.746 1.00 0.00 C ATOM 1217 O LEU F 27 109.241 -1.498 -1.530 1.00 0.00 O ATOM 1218 CB LEU F 27 111.417 -3.984 -1.692 1.00 0.00 C ATOM 1219 CG LEU F 27 112.532 -4.487 -0.760 1.00 0.00 C ATOM 1220 CD1 LEU F 27 113.710 -5.005 -1.597 1.00 0.00 C ATOM 1221 CD2 LEU F 27 113.020 -3.340 0.147 1.00 0.00 C ATOM 0 H LEU F 27 109.788 -5.692 -0.835 1.00 0.00 H new ATOM 0 HA LEU F 27 110.453 -3.094 0.021 1.00 0.00 H new ATOM 0 HB2 LEU F 27 111.174 -4.754 -2.424 1.00 0.00 H new ATOM 0 HB3 LEU F 27 111.767 -3.115 -2.249 1.00 0.00 H new ATOM 0 HG LEU F 27 112.138 -5.293 -0.141 1.00 0.00 H new ATOM 0 HD11 LEU F 27 114.499 -5.361 -0.934 1.00 0.00 H new ATOM 0 HD12 LEU F 27 113.373 -5.824 -2.232 1.00 0.00 H new ATOM 0 HD13 LEU F 27 114.096 -4.198 -2.220 1.00 0.00 H new ATOM 0 HD21 LEU F 27 113.810 -3.706 0.803 1.00 0.00 H new ATOM 0 HD22 LEU F 27 113.407 -2.529 -0.469 1.00 0.00 H new ATOM 0 HD23 LEU F 27 112.189 -2.973 0.749 1.00 0.00 H new ATOM 1233 N CYS F 28 108.589 -3.301 -2.720 1.00 0.00 N ATOM 1234 CA CYS F 28 107.710 -2.533 -3.611 1.00 0.00 C ATOM 1235 C CYS F 28 106.616 -1.834 -2.801 1.00 0.00 C ATOM 1236 O CYS F 28 106.381 -0.635 -2.967 1.00 0.00 O ATOM 1237 CB CYS F 28 107.083 -3.460 -4.661 1.00 0.00 C ATOM 1238 SG CYS F 28 106.368 -2.472 -5.999 1.00 0.00 S ATOM 0 H CYS F 28 108.615 -4.302 -2.912 1.00 0.00 H new ATOM 0 HA CYS F 28 108.304 -1.775 -4.122 1.00 0.00 H new ATOM 0 HB2 CYS F 28 107.838 -4.137 -5.060 1.00 0.00 H new ATOM 0 HB3 CYS F 28 106.312 -4.078 -4.201 1.00 0.00 H new ATOM 1243 N ALA F 29 105.980 -2.592 -1.907 1.00 0.00 N ATOM 1244 CA ALA F 29 104.935 -2.046 -1.045 1.00 0.00 C ATOM 1245 C ALA F 29 105.525 -0.978 -0.123 1.00 0.00 C ATOM 1246 O ALA F 29 104.903 0.059 0.128 1.00 0.00 O ATOM 1247 CB ALA F 29 104.329 -3.171 -0.199 1.00 0.00 C ATOM 0 H ALA F 29 106.171 -3.583 -1.762 1.00 0.00 H new ATOM 0 HA ALA F 29 104.160 -1.596 -1.665 1.00 0.00 H new ATOM 0 HB1 ALA F 29 103.549 -2.763 0.444 1.00 0.00 H new ATOM 0 HB2 ALA F 29 103.899 -3.928 -0.855 1.00 0.00 H new ATOM 0 HB3 ALA F 29 105.107 -3.623 0.416 1.00 0.00 H new ATOM 1253 N PHE F 30 106.732 -1.256 0.374 1.00 0.00 N ATOM 1254 CA PHE F 30 107.433 -0.342 1.275 1.00 0.00 C ATOM 1255 C PHE F 30 107.730 0.978 0.571 1.00 0.00 C ATOM 1256 O PHE F 30 107.360 2.042 1.067 1.00 0.00 O ATOM 1257 CB PHE F 30 108.741 -1.013 1.746 1.00 0.00 C ATOM 1258 CG PHE F 30 109.644 -0.028 2.470 1.00 0.00 C ATOM 1259 CD1 PHE F 30 109.176 0.665 3.595 1.00 0.00 C ATOM 1260 CD2 PHE F 30 110.958 0.185 2.013 1.00 0.00 C ATOM 1261 CE1 PHE F 30 110.012 1.566 4.258 1.00 0.00 C ATOM 1262 CE2 PHE F 30 111.791 1.085 2.681 1.00 0.00 C ATOM 1263 CZ PHE F 30 111.317 1.775 3.803 1.00 0.00 C ATOM 0 H PHE F 30 107.246 -2.112 0.165 1.00 0.00 H new ATOM 0 HA PHE F 30 106.804 -0.125 2.138 1.00 0.00 H new ATOM 0 HB2 PHE F 30 108.506 -1.846 2.408 1.00 0.00 H new ATOM 0 HB3 PHE F 30 109.268 -1.428 0.887 1.00 0.00 H new ATOM 0 HD1 PHE F 30 108.169 0.502 3.949 1.00 0.00 H new ATOM 0 HD2 PHE F 30 111.322 -0.347 1.146 1.00 0.00 H new ATOM 0 HE1 PHE F 30 109.650 2.102 5.123 1.00 0.00 H new ATOM 0 HE2 PHE F 30 112.800 1.249 2.332 1.00 0.00 H new ATOM 0 HZ PHE F 30 111.962 2.471 4.319 1.00 0.00 H new ATOM 1273 N ILE F 31 108.385 0.897 -0.590 1.00 0.00 N ATOM 1274 CA ILE F 31 108.730 2.092 -1.364 1.00 0.00 C ATOM 1275 C ILE F 31 107.474 2.873 -1.742 1.00 0.00 C ATOM 1276 O ILE F 31 107.485 4.108 -1.748 1.00 0.00 O ATOM 1277 CB ILE F 31 109.537 1.701 -2.616 1.00 0.00 C ATOM 1278 CG1 ILE F 31 110.878 1.087 -2.169 1.00 0.00 C ATOM 1279 CG2 ILE F 31 109.811 2.946 -3.481 1.00 0.00 C ATOM 1280 CD1 ILE F 31 111.637 0.515 -3.369 1.00 0.00 C ATOM 0 H ILE F 31 108.686 0.019 -1.014 1.00 0.00 H new ATOM 0 HA ILE F 31 109.351 2.740 -0.746 1.00 0.00 H new ATOM 0 HB ILE F 31 108.968 0.981 -3.204 1.00 0.00 H new ATOM 0 HG12 ILE F 31 111.485 1.846 -1.676 1.00 0.00 H new ATOM 0 HG13 ILE F 31 110.697 0.299 -1.437 1.00 0.00 H new ATOM 0 HG21 ILE F 31 110.382 2.657 -4.363 1.00 0.00 H new ATOM 0 HG22 ILE F 31 108.865 3.390 -3.790 1.00 0.00 H new ATOM 0 HG23 ILE F 31 110.380 3.673 -2.902 1.00 0.00 H new ATOM 0 HD11 ILE F 31 112.581 0.086 -3.032 1.00 0.00 H new ATOM 0 HD12 ILE F 31 111.036 -0.260 -3.844 1.00 0.00 H new ATOM 0 HD13 ILE F 31 111.836 1.311 -4.087 1.00 0.00 H new ATOM 1292 N HIS F 32 106.389 2.147 -2.034 1.00 0.00 N ATOM 1293 CA HIS F 32 105.120 2.785 -2.387 1.00 0.00 C ATOM 1294 C HIS F 32 104.617 3.611 -1.200 1.00 0.00 C ATOM 1295 O HIS F 32 104.136 4.732 -1.372 1.00 0.00 O ATOM 1296 CB HIS F 32 104.078 1.717 -2.765 1.00 0.00 C ATOM 1297 CG HIS F 32 103.052 2.302 -3.700 1.00 0.00 C ATOM 1298 ND1 HIS F 32 102.351 3.459 -3.405 1.00 0.00 N ATOM 1299 CD2 HIS F 32 102.600 1.895 -4.932 1.00 0.00 C ATOM 1300 CE1 HIS F 32 101.523 3.707 -4.437 1.00 0.00 C ATOM 1301 NE2 HIS F 32 101.635 2.784 -5.395 1.00 0.00 N ATOM 0 H HIS F 32 106.365 1.127 -2.033 1.00 0.00 H new ATOM 0 HA HIS F 32 105.274 3.441 -3.244 1.00 0.00 H new ATOM 0 HB2 HIS F 32 104.571 0.868 -3.239 1.00 0.00 H new ATOM 0 HB3 HIS F 32 103.589 1.340 -1.866 1.00 0.00 H new ATOM 0 HD2 HIS F 32 102.942 1.018 -5.461 1.00 0.00 H new ATOM 0 HE1 HIS F 32 100.850 4.550 -4.484 1.00 0.00 H new ATOM 0 HE2 HIS F 32 101.123 2.740 -6.276 1.00 0.00 H new ATOM 1310 N SER F 33 104.748 3.034 0.002 1.00 0.00 N ATOM 1311 CA SER F 33 104.321 3.698 1.235 1.00 0.00 C ATOM 1312 C SER F 33 105.153 4.959 1.510 1.00 0.00 C ATOM 1313 O SER F 33 104.602 5.983 1.928 1.00 0.00 O ATOM 1314 CB SER F 33 104.431 2.729 2.417 1.00 0.00 C ATOM 1315 OG SER F 33 103.707 1.540 2.121 1.00 0.00 O ATOM 0 H SER F 33 105.148 2.106 0.144 1.00 0.00 H new ATOM 0 HA SER F 33 103.282 4.002 1.111 1.00 0.00 H new ATOM 0 HB2 SER F 33 105.477 2.492 2.612 1.00 0.00 H new ATOM 0 HB3 SER F 33 104.036 3.193 3.320 1.00 0.00 H new ATOM 0 HG SER F 33 104.220 0.993 1.491 1.00 0.00 H new ATOM 1321 N LEU F 34 106.477 4.885 1.271 1.00 0.00 N ATOM 1322 CA LEU F 34 107.367 6.038 1.496 1.00 0.00 C ATOM 1323 C LEU F 34 106.913 7.228 0.644 1.00 0.00 C ATOM 1324 O LEU F 34 106.995 8.381 1.076 1.00 0.00 O ATOM 1325 CB LEU F 34 108.830 5.700 1.121 1.00 0.00 C ATOM 1326 CG LEU F 34 109.357 4.494 1.922 1.00 0.00 C ATOM 1327 CD1 LEU F 34 110.757 4.094 1.410 1.00 0.00 C ATOM 1328 CD2 LEU F 34 109.435 4.860 3.410 1.00 0.00 C ATOM 0 H LEU F 34 106.948 4.049 0.926 1.00 0.00 H new ATOM 0 HA LEU F 34 107.317 6.288 2.556 1.00 0.00 H new ATOM 0 HB2 LEU F 34 108.892 5.484 0.054 1.00 0.00 H new ATOM 0 HB3 LEU F 34 109.464 6.567 1.308 1.00 0.00 H new ATOM 0 HG LEU F 34 108.677 3.652 1.791 1.00 0.00 H new ATOM 0 HD11 LEU F 34 111.123 3.241 1.981 1.00 0.00 H new ATOM 0 HD12 LEU F 34 110.696 3.826 0.355 1.00 0.00 H new ATOM 0 HD13 LEU F 34 111.442 4.933 1.532 1.00 0.00 H new ATOM 0 HD21 LEU F 34 109.808 4.006 3.976 1.00 0.00 H new ATOM 0 HD22 LEU F 34 110.110 5.705 3.542 1.00 0.00 H new ATOM 0 HD23 LEU F 34 108.442 5.129 3.771 1.00 0.00 H new ATOM 1340 N HIS F 35 106.451 6.927 -0.574 1.00 0.00 N ATOM 1341 CA HIS F 35 105.995 7.956 -1.513 1.00 0.00 C ATOM 1342 C HIS F 35 104.555 8.407 -1.222 1.00 0.00 C ATOM 1343 O HIS F 35 104.237 9.589 -1.384 1.00 0.00 O ATOM 1344 CB HIS F 35 106.103 7.417 -2.948 1.00 0.00 C ATOM 1345 CG HIS F 35 107.491 7.673 -3.480 1.00 0.00 C ATOM 1346 ND1 HIS F 35 107.763 8.696 -4.376 1.00 0.00 N ATOM 1347 CD2 HIS F 35 108.694 7.051 -3.247 1.00 0.00 C ATOM 1348 CE1 HIS F 35 109.081 8.660 -4.647 1.00 0.00 C ATOM 1349 NE2 HIS F 35 109.695 7.675 -3.985 1.00 0.00 N ATOM 0 H HIS F 35 106.383 5.975 -0.933 1.00 0.00 H new ATOM 0 HA HIS F 35 106.635 8.830 -1.393 1.00 0.00 H new ATOM 0 HB2 HIS F 35 105.888 6.349 -2.963 1.00 0.00 H new ATOM 0 HB3 HIS F 35 105.363 7.900 -3.586 1.00 0.00 H new ATOM 0 HD2 HIS F 35 108.840 6.206 -2.591 1.00 0.00 H new ATOM 0 HE1 HIS F 35 109.581 9.343 -5.317 1.00 0.00 H new ATOM 0 HE2 HIS F 35 110.685 7.432 -4.014 1.00 0.00 H new ATOM 1358 N ASP F 36 103.691 7.470 -0.805 1.00 0.00 N ATOM 1359 CA ASP F 36 102.287 7.802 -0.508 1.00 0.00 C ATOM 1360 C ASP F 36 102.188 8.859 0.588 1.00 0.00 C ATOM 1361 O ASP F 36 101.321 9.733 0.534 1.00 0.00 O ATOM 1362 CB ASP F 36 101.511 6.554 -0.057 1.00 0.00 C ATOM 1363 CG ASP F 36 101.349 5.537 -1.198 1.00 0.00 C ATOM 1364 OD1 ASP F 36 101.251 5.947 -2.346 1.00 0.00 O ATOM 1365 OD2 ASP F 36 101.308 4.353 -0.900 1.00 0.00 O ATOM 0 H ASP F 36 103.933 6.489 -0.667 1.00 0.00 H new ATOM 0 HA ASP F 36 101.852 8.193 -1.428 1.00 0.00 H new ATOM 0 HB2 ASP F 36 102.032 6.084 0.777 1.00 0.00 H new ATOM 0 HB3 ASP F 36 100.527 6.850 0.308 1.00 0.00 H new ATOM 1370 N ASP F 37 103.069 8.755 1.586 1.00 0.00 N ATOM 1371 CA ASP F 37 103.080 9.692 2.707 1.00 0.00 C ATOM 1372 C ASP F 37 104.509 9.834 3.254 1.00 0.00 C ATOM 1373 O ASP F 37 104.952 9.021 4.070 1.00 0.00 O ATOM 1374 CB ASP F 37 102.130 9.198 3.808 1.00 0.00 C ATOM 1375 CG ASP F 37 101.932 10.284 4.874 1.00 0.00 C ATOM 1376 OD1 ASP F 37 102.899 10.627 5.536 1.00 0.00 O ATOM 1377 OD2 ASP F 37 100.813 10.751 5.016 1.00 0.00 O ATOM 0 H ASP F 37 103.784 8.030 1.639 1.00 0.00 H new ATOM 0 HA ASP F 37 102.739 10.669 2.364 1.00 0.00 H new ATOM 0 HB2 ASP F 37 101.168 8.928 3.372 1.00 0.00 H new ATOM 0 HB3 ASP F 37 102.535 8.297 4.269 1.00 0.00 H new ATOM 1382 N PRO F 38 105.235 10.838 2.805 1.00 0.00 N ATOM 1383 CA PRO F 38 106.648 11.085 3.242 1.00 0.00 C ATOM 1384 C PRO F 38 106.830 11.072 4.767 1.00 0.00 C ATOM 1385 O PRO F 38 107.835 10.562 5.262 1.00 0.00 O ATOM 1386 CB PRO F 38 106.965 12.468 2.664 1.00 0.00 C ATOM 1387 CG PRO F 38 106.064 12.619 1.485 1.00 0.00 C ATOM 1388 CD PRO F 38 104.790 11.847 1.823 1.00 0.00 C ATOM 0 HA PRO F 38 107.314 10.297 2.892 1.00 0.00 H new ATOM 0 HB2 PRO F 38 106.785 13.252 3.399 1.00 0.00 H new ATOM 0 HB3 PRO F 38 108.012 12.541 2.370 1.00 0.00 H new ATOM 0 HG2 PRO F 38 105.844 13.669 1.295 1.00 0.00 H new ATOM 0 HG3 PRO F 38 106.532 12.223 0.584 1.00 0.00 H new ATOM 0 HD2 PRO F 38 104.026 12.502 2.242 1.00 0.00 H new ATOM 0 HD3 PRO F 38 104.359 11.380 0.937 1.00 0.00 H new ATOM 1396 N SER F 39 105.866 11.637 5.500 1.00 0.00 N ATOM 1397 CA SER F 39 105.953 11.683 6.966 1.00 0.00 C ATOM 1398 C SER F 39 105.949 10.272 7.565 1.00 0.00 C ATOM 1399 O SER F 39 106.650 10.007 8.545 1.00 0.00 O ATOM 1400 CB SER F 39 104.788 12.497 7.544 1.00 0.00 C ATOM 1401 OG SER F 39 104.713 13.756 6.883 1.00 0.00 O ATOM 0 H SER F 39 105.026 12.064 5.110 1.00 0.00 H new ATOM 0 HA SER F 39 106.894 12.166 7.230 1.00 0.00 H new ATOM 0 HB2 SER F 39 103.852 11.952 7.418 1.00 0.00 H new ATOM 0 HB3 SER F 39 104.930 12.644 8.615 1.00 0.00 H new ATOM 0 HG SER F 39 103.968 14.275 7.251 1.00 0.00 H new ATOM 1407 N GLN F 40 105.150 9.381 6.971 1.00 0.00 N ATOM 1408 CA GLN F 40 105.043 7.997 7.446 1.00 0.00 C ATOM 1409 C GLN F 40 106.334 7.208 7.241 1.00 0.00 C ATOM 1410 O GLN F 40 106.505 6.163 7.863 1.00 0.00 O ATOM 1411 CB GLN F 40 103.900 7.274 6.721 1.00 0.00 C ATOM 1412 CG GLN F 40 102.548 7.751 7.262 1.00 0.00 C ATOM 1413 CD GLN F 40 101.407 7.196 6.411 1.00 0.00 C ATOM 1414 OE1 GLN F 40 100.521 7.941 5.993 1.00 0.00 O ATOM 1415 NE2 GLN F 40 101.386 5.926 6.118 1.00 0.00 N ATOM 0 H GLN F 40 104.568 9.592 6.161 1.00 0.00 H new ATOM 0 HA GLN F 40 104.843 8.048 8.516 1.00 0.00 H new ATOM 0 HB2 GLN F 40 103.960 7.466 5.650 1.00 0.00 H new ATOM 0 HB3 GLN F 40 103.996 6.197 6.858 1.00 0.00 H new ATOM 0 HG2 GLN F 40 102.429 7.428 8.296 1.00 0.00 H new ATOM 0 HG3 GLN F 40 102.513 8.840 7.262 1.00 0.00 H new ATOM 0 HE21 GLN F 40 102.121 5.310 6.465 1.00 0.00 H new ATOM 0 HE22 GLN F 40 100.634 5.548 5.541 1.00 0.00 H new ATOM 1424 N SER F 41 107.216 7.678 6.349 1.00 0.00 N ATOM 1425 CA SER F 41 108.469 6.957 6.048 1.00 0.00 C ATOM 1426 C SER F 41 109.197 6.516 7.321 1.00 0.00 C ATOM 1427 O SER F 41 109.696 5.394 7.395 1.00 0.00 O ATOM 1428 CB SER F 41 109.396 7.847 5.217 1.00 0.00 C ATOM 1429 OG SER F 41 109.794 8.969 5.994 1.00 0.00 O ATOM 0 H SER F 41 107.091 8.545 5.826 1.00 0.00 H new ATOM 0 HA SER F 41 108.203 6.062 5.485 1.00 0.00 H new ATOM 0 HB2 SER F 41 110.272 7.282 4.899 1.00 0.00 H new ATOM 0 HB3 SER F 41 108.885 8.179 4.313 1.00 0.00 H new ATOM 0 HG SER F 41 109.054 9.610 6.046 1.00 0.00 H new ATOM 1435 N ALA F 42 109.235 7.401 8.309 1.00 0.00 N ATOM 1436 CA ALA F 42 109.891 7.106 9.586 1.00 0.00 C ATOM 1437 C ALA F 42 109.226 5.910 10.279 1.00 0.00 C ATOM 1438 O ALA F 42 109.909 4.958 10.667 1.00 0.00 O ATOM 1439 CB ALA F 42 109.827 8.335 10.500 1.00 0.00 C ATOM 0 H ALA F 42 108.820 8.331 8.255 1.00 0.00 H new ATOM 0 HA ALA F 42 110.933 6.854 9.387 1.00 0.00 H new ATOM 0 HB1 ALA F 42 110.316 8.110 11.448 1.00 0.00 H new ATOM 0 HB2 ALA F 42 110.334 9.172 10.020 1.00 0.00 H new ATOM 0 HB3 ALA F 42 108.785 8.598 10.683 1.00 0.00 H new ATOM 1445 N ASN F 43 107.895 5.955 10.419 1.00 0.00 N ATOM 1446 CA ASN F 43 107.163 4.850 11.052 1.00 0.00 C ATOM 1447 C ASN F 43 107.291 3.588 10.205 1.00 0.00 C ATOM 1448 O ASN F 43 107.495 2.491 10.732 1.00 0.00 O ATOM 1449 CB ASN F 43 105.684 5.205 11.222 1.00 0.00 C ATOM 1450 CG ASN F 43 105.525 6.311 12.261 1.00 0.00 C ATOM 1451 OD1 ASN F 43 105.155 7.436 11.927 1.00 0.00 O ATOM 1452 ND2 ASN F 43 105.781 6.050 13.512 1.00 0.00 N ATOM 0 H ASN F 43 107.311 6.731 10.108 1.00 0.00 H new ATOM 0 HA ASN F 43 107.595 4.673 12.037 1.00 0.00 H new ATOM 0 HB2 ASN F 43 105.268 5.529 10.268 1.00 0.00 H new ATOM 0 HB3 ASN F 43 105.124 4.323 11.531 1.00 0.00 H new ATOM 0 HD21 ASN F 43 105.675 6.779 14.217 1.00 0.00 H new ATOM 0 HD22 ASN F 43 106.088 5.116 13.786 1.00 0.00 H new ATOM 1459 N LEU F 44 107.193 3.767 8.882 1.00 0.00 N ATOM 1460 CA LEU F 44 107.317 2.660 7.936 1.00 0.00 C ATOM 1461 C LEU F 44 108.694 2.025 8.064 1.00 0.00 C ATOM 1462 O LEU F 44 108.838 0.815 7.921 1.00 0.00 O ATOM 1463 CB LEU F 44 107.123 3.169 6.502 1.00 0.00 C ATOM 1464 CG LEU F 44 105.678 3.662 6.303 1.00 0.00 C ATOM 1465 CD1 LEU F 44 105.613 4.587 5.079 1.00 0.00 C ATOM 1466 CD2 LEU F 44 104.748 2.460 6.080 1.00 0.00 C ATOM 0 H LEU F 44 107.027 4.673 8.445 1.00 0.00 H new ATOM 0 HA LEU F 44 106.551 1.918 8.161 1.00 0.00 H new ATOM 0 HB2 LEU F 44 107.823 3.980 6.298 1.00 0.00 H new ATOM 0 HB3 LEU F 44 107.344 2.372 5.792 1.00 0.00 H new ATOM 0 HG LEU F 44 105.360 4.209 7.191 1.00 0.00 H new ATOM 0 HD11 LEU F 44 104.589 4.935 4.940 1.00 0.00 H new ATOM 0 HD12 LEU F 44 106.269 5.443 5.235 1.00 0.00 H new ATOM 0 HD13 LEU F 44 105.934 4.040 4.192 1.00 0.00 H new ATOM 0 HD21 LEU F 44 103.726 2.812 5.939 1.00 0.00 H new ATOM 0 HD22 LEU F 44 105.068 1.912 5.194 1.00 0.00 H new ATOM 0 HD23 LEU F 44 104.789 1.802 6.948 1.00 0.00 H new ATOM 1478 N LEU F 45 109.696 2.864 8.352 1.00 0.00 N ATOM 1479 CA LEU F 45 111.068 2.392 8.522 1.00 0.00 C ATOM 1480 C LEU F 45 111.143 1.406 9.682 1.00 0.00 C ATOM 1481 O LEU F 45 111.878 0.425 9.616 1.00 0.00 O ATOM 1482 CB LEU F 45 112.018 3.580 8.790 1.00 0.00 C ATOM 1483 CG LEU F 45 113.011 3.718 7.629 1.00 0.00 C ATOM 1484 CD1 LEU F 45 112.279 4.272 6.392 1.00 0.00 C ATOM 1485 CD2 LEU F 45 114.156 4.679 8.009 1.00 0.00 C ATOM 0 H LEU F 45 109.579 3.870 8.471 1.00 0.00 H new ATOM 0 HA LEU F 45 111.377 1.892 7.604 1.00 0.00 H new ATOM 0 HB2 LEU F 45 111.444 4.500 8.902 1.00 0.00 H new ATOM 0 HB3 LEU F 45 112.556 3.425 9.725 1.00 0.00 H new ATOM 0 HG LEU F 45 113.429 2.736 7.409 1.00 0.00 H new ATOM 0 HD11 LEU F 45 112.984 4.371 5.566 1.00 0.00 H new ATOM 0 HD12 LEU F 45 111.479 3.589 6.107 1.00 0.00 H new ATOM 0 HD13 LEU F 45 111.856 5.249 6.627 1.00 0.00 H new ATOM 0 HD21 LEU F 45 114.851 4.765 7.174 1.00 0.00 H new ATOM 0 HD22 LEU F 45 113.745 5.661 8.241 1.00 0.00 H new ATOM 0 HD23 LEU F 45 114.683 4.291 8.881 1.00 0.00 H new ATOM 1497 N ALA F 46 110.373 1.679 10.737 1.00 0.00 N ATOM 1498 CA ALA F 46 110.358 0.807 11.905 1.00 0.00 C ATOM 1499 C ALA F 46 109.817 -0.571 11.535 1.00 0.00 C ATOM 1500 O ALA F 46 110.515 -1.571 11.691 1.00 0.00 O ATOM 1501 CB ALA F 46 109.496 1.430 13.013 1.00 0.00 C ATOM 0 H ALA F 46 109.758 2.490 10.804 1.00 0.00 H new ATOM 0 HA ALA F 46 111.379 0.693 12.269 1.00 0.00 H new ATOM 0 HB1 ALA F 46 109.490 0.772 13.882 1.00 0.00 H new ATOM 0 HB2 ALA F 46 109.909 2.399 13.294 1.00 0.00 H new ATOM 0 HB3 ALA F 46 108.477 1.561 12.650 1.00 0.00 H new ATOM 1507 N GLU F 47 108.577 -0.617 11.034 1.00 0.00 N ATOM 1508 CA GLU F 47 107.961 -1.890 10.646 1.00 0.00 C ATOM 1509 C GLU F 47 108.748 -2.561 9.524 1.00 0.00 C ATOM 1510 O GLU F 47 108.935 -3.780 9.541 1.00 0.00 O ATOM 1511 CB GLU F 47 106.525 -1.666 10.174 1.00 0.00 C ATOM 1512 CG GLU F 47 105.644 -1.140 11.321 1.00 0.00 C ATOM 1513 CD GLU F 47 105.619 -2.115 12.508 1.00 0.00 C ATOM 1514 OE1 GLU F 47 105.298 -3.277 12.297 1.00 0.00 O ATOM 1515 OE2 GLU F 47 105.909 -1.683 13.613 1.00 0.00 O ATOM 0 H GLU F 47 107.987 0.202 10.889 1.00 0.00 H new ATOM 0 HA GLU F 47 107.965 -2.537 11.523 1.00 0.00 H new ATOM 0 HB2 GLU F 47 106.516 -0.955 9.348 1.00 0.00 H new ATOM 0 HB3 GLU F 47 106.113 -2.601 9.794 1.00 0.00 H new ATOM 0 HG2 GLU F 47 106.018 -0.171 11.653 1.00 0.00 H new ATOM 0 HG3 GLU F 47 104.629 -0.982 10.958 1.00 0.00 H new ATOM 1522 N ALA F 48 109.216 -1.762 8.558 1.00 0.00 N ATOM 1523 CA ALA F 48 109.997 -2.296 7.440 1.00 0.00 C ATOM 1524 C ALA F 48 111.246 -2.968 7.986 1.00 0.00 C ATOM 1525 O ALA F 48 111.631 -4.053 7.545 1.00 0.00 O ATOM 1526 CB ALA F 48 110.394 -1.172 6.477 1.00 0.00 C ATOM 0 H ALA F 48 109.069 -0.753 8.529 1.00 0.00 H new ATOM 0 HA ALA F 48 109.392 -3.020 6.894 1.00 0.00 H new ATOM 0 HB1 ALA F 48 110.974 -1.587 5.653 1.00 0.00 H new ATOM 0 HB2 ALA F 48 109.496 -0.695 6.085 1.00 0.00 H new ATOM 0 HB3 ALA F 48 110.995 -0.434 7.008 1.00 0.00 H new ATOM 1532 N LYS F 49 111.851 -2.321 8.980 1.00 0.00 N ATOM 1533 CA LYS F 49 113.027 -2.859 9.626 1.00 0.00 C ATOM 1534 C LYS F 49 112.644 -4.122 10.412 1.00 0.00 C ATOM 1535 O LYS F 49 113.390 -5.103 10.414 1.00 0.00 O ATOM 1536 CB LYS F 49 113.639 -1.803 10.552 1.00 0.00 C ATOM 1537 CG LYS F 49 115.006 -2.289 11.054 1.00 0.00 C ATOM 1538 CD LYS F 49 115.210 -1.852 12.513 1.00 0.00 C ATOM 1539 CE LYS F 49 115.483 -0.344 12.582 1.00 0.00 C ATOM 1540 NZ LYS F 49 115.696 0.054 14.004 1.00 0.00 N ATOM 0 H LYS F 49 111.539 -1.423 9.350 1.00 0.00 H new ATOM 0 HA LYS F 49 113.771 -3.127 8.876 1.00 0.00 H new ATOM 0 HB2 LYS F 49 113.751 -0.858 10.020 1.00 0.00 H new ATOM 0 HB3 LYS F 49 112.975 -1.617 11.396 1.00 0.00 H new ATOM 0 HG2 LYS F 49 115.067 -3.375 10.978 1.00 0.00 H new ATOM 0 HG3 LYS F 49 115.800 -1.881 10.428 1.00 0.00 H new ATOM 0 HD2 LYS F 49 114.325 -2.096 13.100 1.00 0.00 H new ATOM 0 HD3 LYS F 49 116.044 -2.400 12.951 1.00 0.00 H new ATOM 0 HE2 LYS F 49 116.361 -0.094 11.987 1.00 0.00 H new ATOM 0 HE3 LYS F 49 114.644 0.209 12.159 1.00 0.00 H new ATOM 0 HZ1 LYS F 49 115.881 1.076 14.054 1.00 0.00 H new ATOM 0 HZ2 LYS F 49 114.846 -0.171 14.559 1.00 0.00 H new ATOM 0 HZ3 LYS F 49 116.510 -0.465 14.392 1.00 0.00 H new ATOM 1554 N LYS F 50 111.463 -4.098 11.062 1.00 0.00 N ATOM 1555 CA LYS F 50 110.992 -5.261 11.827 1.00 0.00 C ATOM 1556 C LYS F 50 110.809 -6.459 10.907 1.00 0.00 C ATOM 1557 O LYS F 50 111.074 -7.591 11.306 1.00 0.00 O ATOM 1558 CB LYS F 50 109.666 -4.954 12.547 1.00 0.00 C ATOM 1559 CG LYS F 50 109.902 -3.995 13.720 1.00 0.00 C ATOM 1560 CD LYS F 50 108.573 -3.744 14.449 1.00 0.00 C ATOM 1561 CE LYS F 50 108.637 -2.410 15.193 1.00 0.00 C ATOM 1562 NZ LYS F 50 107.374 -2.206 15.957 1.00 0.00 N ATOM 0 H LYS F 50 110.830 -3.298 11.071 1.00 0.00 H new ATOM 0 HA LYS F 50 111.747 -5.493 12.578 1.00 0.00 H new ATOM 0 HB2 LYS F 50 108.958 -4.513 11.845 1.00 0.00 H new ATOM 0 HB3 LYS F 50 109.220 -5.880 12.910 1.00 0.00 H new ATOM 0 HG2 LYS F 50 110.633 -4.418 14.409 1.00 0.00 H new ATOM 0 HG3 LYS F 50 110.314 -3.053 13.357 1.00 0.00 H new ATOM 0 HD2 LYS F 50 107.751 -3.733 13.733 1.00 0.00 H new ATOM 0 HD3 LYS F 50 108.374 -4.554 15.151 1.00 0.00 H new ATOM 0 HE2 LYS F 50 109.490 -2.400 15.871 1.00 0.00 H new ATOM 0 HE3 LYS F 50 108.783 -1.594 14.486 1.00 0.00 H new ATOM 0 HZ1 LYS F 50 107.498 -1.422 16.629 1.00 0.00 H new ATOM 0 HZ2 LYS F 50 106.602 -1.978 15.298 1.00 0.00 H new ATOM 0 HZ3 LYS F 50 107.139 -3.075 16.478 1.00 0.00 H new ATOM 1576 N LEU F 51 110.375 -6.203 9.666 1.00 0.00 N ATOM 1577 CA LEU F 51 110.189 -7.281 8.690 1.00 0.00 C ATOM 1578 C LEU F 51 111.506 -7.972 8.412 1.00 0.00 C ATOM 1579 O LEU F 51 111.555 -9.191 8.289 1.00 0.00 O ATOM 1580 CB LEU F 51 109.649 -6.740 7.372 1.00 0.00 C ATOM 1581 CG LEU F 51 108.165 -6.416 7.471 1.00 0.00 C ATOM 1582 CD1 LEU F 51 107.679 -5.909 6.109 1.00 0.00 C ATOM 1583 CD2 LEU F 51 107.380 -7.677 7.884 1.00 0.00 C ATOM 0 H LEU F 51 110.149 -5.271 9.319 1.00 0.00 H new ATOM 0 HA LEU F 51 109.474 -7.985 9.116 1.00 0.00 H new ATOM 0 HB2 LEU F 51 110.201 -5.843 7.092 1.00 0.00 H new ATOM 0 HB3 LEU F 51 109.811 -7.474 6.582 1.00 0.00 H new ATOM 0 HG LEU F 51 108.002 -5.646 8.225 1.00 0.00 H new ATOM 0 HD11 LEU F 51 106.616 -5.673 6.167 1.00 0.00 H new ATOM 0 HD12 LEU F 51 108.235 -5.013 5.835 1.00 0.00 H new ATOM 0 HD13 LEU F 51 107.839 -6.680 5.355 1.00 0.00 H new ATOM 0 HD21 LEU F 51 106.319 -7.438 7.953 1.00 0.00 H new ATOM 0 HD22 LEU F 51 107.529 -8.458 7.139 1.00 0.00 H new ATOM 0 HD23 LEU F 51 107.737 -8.027 8.853 1.00 0.00 H new ATOM 1595 N ASN F 52 112.572 -7.180 8.328 1.00 0.00 N ATOM 1596 CA ASN F 52 113.898 -7.731 8.084 1.00 0.00 C ATOM 1597 C ASN F 52 114.208 -8.754 9.191 1.00 0.00 C ATOM 1598 O ASN F 52 114.812 -9.800 8.938 1.00 0.00 O ATOM 1599 CB ASN F 52 114.944 -6.582 8.020 1.00 0.00 C ATOM 1600 CG ASN F 52 116.027 -6.738 9.081 1.00 0.00 C ATOM 1601 OD1 ASN F 52 117.131 -7.203 8.797 1.00 0.00 O ATOM 1602 ND2 ASN F 52 115.758 -6.376 10.294 1.00 0.00 N ATOM 0 H ASN F 52 112.543 -6.165 8.424 1.00 0.00 H new ATOM 0 HA ASN F 52 113.939 -8.245 7.124 1.00 0.00 H new ATOM 0 HB2 ASN F 52 115.404 -6.565 7.032 1.00 0.00 H new ATOM 0 HB3 ASN F 52 114.440 -5.625 8.154 1.00 0.00 H new ATOM 0 HD21 ASN F 52 116.463 -6.475 11.024 1.00 0.00 H new ATOM 0 HD22 ASN F 52 114.841 -5.992 10.520 1.00 0.00 H new ATOM 1609 N ASP F 53 113.748 -8.434 10.411 1.00 0.00 N ATOM 1610 CA ASP F 53 113.924 -9.315 11.566 1.00 0.00 C ATOM 1611 C ASP F 53 112.907 -10.466 11.522 1.00 0.00 C ATOM 1612 O ASP F 53 113.213 -11.596 11.912 1.00 0.00 O ATOM 1613 CB ASP F 53 113.756 -8.519 12.872 1.00 0.00 C ATOM 1614 CG ASP F 53 114.775 -7.374 12.936 1.00 0.00 C ATOM 1615 OD1 ASP F 53 115.963 -7.659 12.987 1.00 0.00 O ATOM 1616 OD2 ASP F 53 114.355 -6.228 12.930 1.00 0.00 O ATOM 0 H ASP F 53 113.251 -7.568 10.619 1.00 0.00 H new ATOM 0 HA ASP F 53 114.930 -9.733 11.531 1.00 0.00 H new ATOM 0 HB2 ASP F 53 112.744 -8.118 12.933 1.00 0.00 H new ATOM 0 HB3 ASP F 53 113.889 -9.181 13.728 1.00 0.00 H new ATOM 1621 N ALA F 54 111.693 -10.156 11.050 1.00 0.00 N ATOM 1622 CA ALA F 54 110.609 -11.142 10.950 1.00 0.00 C ATOM 1623 C ALA F 54 110.876 -12.167 9.843 1.00 0.00 C ATOM 1624 O ALA F 54 110.482 -13.330 9.959 1.00 0.00 O ATOM 1625 CB ALA F 54 109.282 -10.425 10.667 1.00 0.00 C ATOM 0 H ALA F 54 111.435 -9.223 10.729 1.00 0.00 H new ATOM 0 HA ALA F 54 110.555 -11.674 11.900 1.00 0.00 H new ATOM 0 HB1 ALA F 54 108.480 -11.160 10.593 1.00 0.00 H new ATOM 0 HB2 ALA F 54 109.064 -9.730 11.478 1.00 0.00 H new ATOM 0 HB3 ALA F 54 109.358 -9.876 9.729 1.00 0.00 H new ATOM 1631 N GLN F 55 111.537 -11.716 8.773 1.00 0.00 N ATOM 1632 CA GLN F 55 111.853 -12.578 7.628 1.00 0.00 C ATOM 1633 C GLN F 55 113.246 -13.184 7.772 1.00 0.00 C ATOM 1634 O GLN F 55 113.627 -14.079 7.013 1.00 0.00 O ATOM 1635 CB GLN F 55 111.793 -11.769 6.326 1.00 0.00 C ATOM 1636 CG GLN F 55 110.357 -11.291 6.080 1.00 0.00 C ATOM 1637 CD GLN F 55 110.253 -10.592 4.724 1.00 0.00 C ATOM 1638 OE1 GLN F 55 110.797 -11.072 3.727 1.00 0.00 O ATOM 1639 NE2 GLN F 55 109.580 -9.482 4.625 1.00 0.00 N ATOM 0 H GLN F 55 111.865 -10.755 8.675 1.00 0.00 H new ATOM 0 HA GLN F 55 111.116 -13.381 7.599 1.00 0.00 H new ATOM 0 HB2 GLN F 55 112.466 -10.914 6.387 1.00 0.00 H new ATOM 0 HB3 GLN F 55 112.131 -12.382 5.490 1.00 0.00 H new ATOM 0 HG2 GLN F 55 109.674 -12.140 6.112 1.00 0.00 H new ATOM 0 HG3 GLN F 55 110.054 -10.607 6.873 1.00 0.00 H new ATOM 0 HE21 GLN F 55 109.129 -9.084 5.449 1.00 0.00 H new ATOM 0 HE22 GLN F 55 109.503 -9.011 3.724 1.00 0.00 H new ATOM 1648 N ALA F 56 113.998 -12.661 8.736 1.00 0.00 N ATOM 1649 CA ALA F 56 115.356 -13.100 8.996 1.00 0.00 C ATOM 1650 C ALA F 56 115.422 -14.593 9.327 1.00 0.00 C ATOM 1651 O ALA F 56 114.403 -15.223 9.627 1.00 0.00 O ATOM 1652 CB ALA F 56 115.937 -12.286 10.160 1.00 0.00 C ATOM 0 H ALA F 56 113.677 -11.919 9.358 1.00 0.00 H new ATOM 0 HA ALA F 56 115.941 -12.938 8.091 1.00 0.00 H new ATOM 0 HB1 ALA F 56 116.958 -12.613 10.359 1.00 0.00 H new ATOM 0 HB2 ALA F 56 115.939 -11.228 9.899 1.00 0.00 H new ATOM 0 HB3 ALA F 56 115.327 -12.438 11.051 1.00 0.00 H new