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= -0.186 X(o=-0.88,f=-0.52) USER MOD Set 1.2: F 55 GLN : amide:sc= -0.699 K(o=-0.88,f=-5.6!) USER MOD Set 2.1: E 23 ASN :FLIP amide:sc= -0.0601 F(o=-2.4,f=-0.14) USER MOD Set 2.2: E 55 GLN : amide:sc= -0.0807 K(o=-0.14,f=-2.1!) USER MOD Set 3.1: E 39 SER OG : rot -93:sc= 0.923 USER MOD Set 3.2: E 40 GLN : amide:sc= -0.317 K(o=0.61,f=-2) USER MOD Single : C 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 35 MET CE :methyl -156:sc= -0.126 (180deg=-1.37) USER MOD Single : E 18 TYR OH : rot 140:sc= 0.913 USER MOD Single : E 21 ASN : amide:sc= -2.31! C(o=-2.3!,f=-2.7!) USER MOD Single : E 26 GLN :FLIP amide:sc= -0.569 F(o=-2.1,f=-0.57) USER MOD Single : E 32 HIS : no HE2:sc= -0.633 K(o=-0.63,f=-3.4!) USER MOD Single : E 33 SER OG : rot 180:sc= 0 USER MOD Single : E 35 HIS : no HD1:sc= -0.515 X(o=-0.51,f=-0.43) USER MOD Single : E 41 SER OG : rot -82:sc= -4.37! USER MOD Single : E 43 ASN : amide:sc= -0.0149 X(o=-0.015,f=0) USER MOD Single : E 49 LYS NZ :NH3+ 153:sc= 0.73 (180deg=0.351) USER MOD Single : E 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : E 52 ASN : amide:sc= -0.0406 K(o=-0.041,f=-0.95) USER MOD Single : F 18 TYR OH : rot -74:sc= 0.18 USER MOD Single : F 21 ASN : amide:sc= -0.0756 K(o=-0.076,f=-0.76) USER MOD Single : F 26 GLN : amide:sc= -0.478 X(o=-0.48,f=-0.48) USER MOD Single : F 32 HIS : no HE2:sc= 1.23 K(o=1.2,f=-4.5!) USER MOD Single : F 33 SER OG : rot 83:sc= 1.25 USER MOD Single : F 35 HIS : no HE2:sc= 0.321 K(o=0.32,f=-2.9!) USER MOD Single : F 39 SER OG : rot 180:sc= 0 USER MOD Single : F 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : F 41 SER OG : rot -78:sc= 0.707 USER MOD Single : F 43 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : F 49 LYS NZ :NH3+ -177:sc= 1 (180deg=0.985) USER MOD Single : F 50 LYS NZ :NH3+ -171:sc= 0.605 (180deg=0.439) USER MOD Single : F 52 ASN : amide:sc= 0.271 K(o=0.27,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 23 N LEU C 17 123.307 -8.065 -2.579 1.00 0.00 N ATOM 24 CA LEU C 17 122.714 -6.735 -2.721 1.00 0.00 C ATOM 25 C LEU C 17 121.676 -6.541 -1.630 1.00 0.00 C ATOM 26 O LEU C 17 121.020 -7.499 -1.210 1.00 0.00 O ATOM 27 CB LEU C 17 122.073 -6.551 -4.107 1.00 0.00 C ATOM 28 CG LEU C 17 122.930 -5.586 -4.958 1.00 0.00 C ATOM 29 CD1 LEU C 17 123.852 -6.382 -5.895 1.00 0.00 C ATOM 30 CD2 LEU C 17 122.012 -4.653 -5.764 1.00 0.00 C ATOM 0 HA LEU C 17 123.500 -5.986 -2.624 1.00 0.00 H new ATOM 0 HB2 LEU C 17 121.988 -7.515 -4.609 1.00 0.00 H new ATOM 0 HB3 LEU C 17 121.062 -6.157 -4.001 1.00 0.00 H new ATOM 0 HG LEU C 17 123.553 -4.981 -4.299 1.00 0.00 H new ATOM 0 HD11 LEU C 17 124.451 -5.692 -6.489 1.00 0.00 H new ATOM 0 HD12 LEU C 17 124.511 -7.017 -5.303 1.00 0.00 H new ATOM 0 HD13 LEU C 17 123.249 -7.003 -6.558 1.00 0.00 H new ATOM 0 HD21 LEU C 17 122.619 -3.974 -6.363 1.00 0.00 H new ATOM 0 HD22 LEU C 17 121.376 -5.247 -6.421 1.00 0.00 H new ATOM 0 HD23 LEU C 17 121.389 -4.076 -5.081 1.00 0.00 H new ATOM 42 N VAL C 18 121.553 -5.303 -1.158 1.00 0.00 N ATOM 43 CA VAL C 18 120.612 -4.991 -0.083 1.00 0.00 C ATOM 44 C VAL C 18 119.924 -3.659 -0.342 1.00 0.00 C ATOM 45 O VAL C 18 120.569 -2.709 -0.768 1.00 0.00 O ATOM 46 CB VAL C 18 121.368 -4.935 1.259 1.00 0.00 C ATOM 47 CG1 VAL C 18 120.364 -4.837 2.417 1.00 0.00 C ATOM 48 CG2 VAL C 18 122.234 -6.199 1.430 1.00 0.00 C ATOM 0 H VAL C 18 122.088 -4.504 -1.499 1.00 0.00 H new ATOM 0 HA VAL C 18 119.851 -5.771 -0.044 1.00 0.00 H new ATOM 0 HB VAL C 18 122.014 -4.057 1.265 1.00 0.00 H new ATOM 0 HG11 VAL C 18 120.903 -4.798 3.364 1.00 0.00 H new ATOM 0 HG12 VAL C 18 119.764 -3.934 2.303 1.00 0.00 H new ATOM 0 HG13 VAL C 18 119.711 -5.710 2.407 1.00 0.00 H new ATOM 0 HG21 VAL C 18 122.765 -6.151 2.381 1.00 0.00 H new ATOM 0 HG22 VAL C 18 121.595 -7.082 1.415 1.00 0.00 H new ATOM 0 HG23 VAL C 18 122.955 -6.259 0.615 1.00 0.00 H new ATOM 58 N PHE C 19 118.619 -3.594 -0.058 1.00 0.00 N ATOM 59 CA PHE C 19 117.849 -2.365 -0.232 1.00 0.00 C ATOM 60 C PHE C 19 117.578 -1.762 1.132 1.00 0.00 C ATOM 61 O PHE C 19 117.090 -2.447 2.032 1.00 0.00 O ATOM 62 CB PHE C 19 116.509 -2.651 -0.939 1.00 0.00 C ATOM 63 CG PHE C 19 116.513 -2.028 -2.318 1.00 0.00 C ATOM 64 CD1 PHE C 19 117.362 -2.551 -3.302 1.00 0.00 C ATOM 65 CD2 PHE C 19 115.678 -0.930 -2.617 1.00 0.00 C ATOM 66 CE1 PHE C 19 117.385 -1.991 -4.577 1.00 0.00 C ATOM 67 CE2 PHE C 19 115.709 -0.374 -3.904 1.00 0.00 C ATOM 68 CZ PHE C 19 116.563 -0.906 -4.880 1.00 0.00 C ATOM 0 H PHE C 19 118.076 -4.382 0.294 1.00 0.00 H new ATOM 0 HA PHE C 19 118.422 -1.673 -0.849 1.00 0.00 H new ATOM 0 HB2 PHE C 19 116.351 -3.727 -1.017 1.00 0.00 H new ATOM 0 HB3 PHE C 19 115.684 -2.249 -0.351 1.00 0.00 H new ATOM 0 HD1 PHE C 19 118.001 -3.391 -3.071 1.00 0.00 H new ATOM 0 HD2 PHE C 19 115.022 -0.522 -1.862 1.00 0.00 H new ATOM 0 HE1 PHE C 19 118.041 -2.398 -5.333 1.00 0.00 H new ATOM 0 HE2 PHE C 19 115.074 0.466 -4.144 1.00 0.00 H new ATOM 0 HZ PHE C 19 116.584 -0.474 -5.870 1.00 0.00 H new ATOM 78 N PHE C 20 117.909 -0.490 1.280 1.00 0.00 N ATOM 79 CA PHE C 20 117.705 0.205 2.554 1.00 0.00 C ATOM 80 C PHE C 20 117.198 1.630 2.349 1.00 0.00 C ATOM 81 O PHE C 20 117.417 2.235 1.297 1.00 0.00 O ATOM 82 CB PHE C 20 119.017 0.235 3.339 1.00 0.00 C ATOM 83 CG PHE C 20 120.040 1.033 2.587 1.00 0.00 C ATOM 84 CD1 PHE C 20 120.068 2.424 2.716 1.00 0.00 C ATOM 85 CD2 PHE C 20 120.944 0.384 1.754 1.00 0.00 C ATOM 86 CE1 PHE C 20 121.005 3.166 2.006 1.00 0.00 C ATOM 87 CE2 PHE C 20 121.879 1.121 1.045 1.00 0.00 C ATOM 88 CZ PHE C 20 121.914 2.517 1.166 1.00 0.00 C ATOM 0 H PHE C 20 118.318 0.085 0.543 1.00 0.00 H new ATOM 0 HA PHE C 20 116.946 -0.342 3.114 1.00 0.00 H new ATOM 0 HB2 PHE C 20 118.853 0.673 4.324 1.00 0.00 H new ATOM 0 HB3 PHE C 20 119.380 -0.781 3.498 1.00 0.00 H new ATOM 0 HD1 PHE C 20 119.363 2.922 3.366 1.00 0.00 H new ATOM 0 HD2 PHE C 20 120.918 -0.692 1.660 1.00 0.00 H new ATOM 0 HE1 PHE C 20 121.030 4.241 2.103 1.00 0.00 H new ATOM 0 HE2 PHE C 20 122.582 0.619 0.398 1.00 0.00 H new ATOM 0 HZ PHE C 20 122.642 3.090 0.611 1.00 0.00 H new ATOM 98 N ALA C 21 116.544 2.162 3.383 1.00 0.00 N ATOM 99 CA ALA C 21 116.029 3.526 3.350 1.00 0.00 C ATOM 100 C ALA C 21 116.788 4.375 4.366 1.00 0.00 C ATOM 101 O ALA C 21 117.056 3.910 5.479 1.00 0.00 O ATOM 102 CB ALA C 21 114.539 3.515 3.672 1.00 0.00 C ATOM 0 H ALA C 21 116.360 1.665 4.254 1.00 0.00 H new ATOM 0 HA ALA C 21 116.169 3.952 2.357 1.00 0.00 H new ATOM 0 HB1 ALA C 21 114.154 4.534 3.647 1.00 0.00 H new ATOM 0 HB2 ALA C 21 114.012 2.910 2.934 1.00 0.00 H new ATOM 0 HB3 ALA C 21 114.384 3.093 4.665 1.00 0.00 H new ATOM 108 N GLU C 22 117.148 5.610 3.983 1.00 0.00 N ATOM 109 CA GLU C 22 117.891 6.496 4.856 1.00 0.00 C ATOM 110 C GLU C 22 116.986 7.627 5.335 1.00 0.00 C ATOM 111 O GLU C 22 116.508 8.412 4.523 1.00 0.00 O ATOM 112 CB GLU C 22 119.084 7.047 4.055 1.00 0.00 C ATOM 113 CG GLU C 22 119.939 7.966 4.926 1.00 0.00 C ATOM 114 CD GLU C 22 121.105 8.537 4.112 1.00 0.00 C ATOM 115 OE1 GLU C 22 121.968 7.763 3.720 1.00 0.00 O ATOM 116 OE2 GLU C 22 121.122 9.739 3.890 1.00 0.00 O ATOM 0 H GLU C 22 116.930 6.007 3.069 1.00 0.00 H new ATOM 0 HA GLU C 22 118.251 5.965 5.737 1.00 0.00 H new ATOM 0 HB2 GLU C 22 119.691 6.222 3.683 1.00 0.00 H new ATOM 0 HB3 GLU C 22 118.723 7.595 3.185 1.00 0.00 H new ATOM 0 HG2 GLU C 22 119.328 8.779 5.318 1.00 0.00 H new ATOM 0 HG3 GLU C 22 120.322 7.413 5.784 1.00 0.00 H new ATOM 123 N ASP C 23 116.781 7.720 6.654 1.00 0.00 N ATOM 124 CA ASP C 23 115.955 8.776 7.219 1.00 0.00 C ATOM 125 C ASP C 23 116.689 10.089 7.023 1.00 0.00 C ATOM 126 O ASP C 23 117.881 10.195 7.320 1.00 0.00 O ATOM 127 CB ASP C 23 115.686 8.526 8.709 1.00 0.00 C ATOM 128 CG ASP C 23 114.591 9.470 9.212 1.00 0.00 C ATOM 129 OD1 ASP C 23 114.838 10.664 9.252 1.00 0.00 O ATOM 130 OD2 ASP C 23 113.521 8.985 9.546 1.00 0.00 O ATOM 0 H ASP C 23 117.176 7.078 7.341 1.00 0.00 H new ATOM 0 HA ASP C 23 114.987 8.802 6.718 1.00 0.00 H new ATOM 0 HB2 ASP C 23 115.383 7.490 8.863 1.00 0.00 H new ATOM 0 HB3 ASP C 23 116.600 8.679 9.282 1.00 0.00 H new ATOM 135 N VAL C 24 115.987 11.055 6.459 1.00 0.00 N ATOM 136 CA VAL C 24 116.586 12.357 6.148 1.00 0.00 C ATOM 137 C VAL C 24 115.943 13.515 6.924 1.00 0.00 C ATOM 138 O VAL C 24 116.351 14.667 6.758 1.00 0.00 O ATOM 139 CB VAL C 24 116.505 12.573 4.630 1.00 0.00 C ATOM 140 CG1 VAL C 24 117.183 11.381 3.937 1.00 0.00 C ATOM 141 CG2 VAL C 24 115.039 12.657 4.172 1.00 0.00 C ATOM 0 H VAL C 24 115.003 10.971 6.204 1.00 0.00 H new ATOM 0 HA VAL C 24 117.628 12.348 6.469 1.00 0.00 H new ATOM 0 HB VAL C 24 117.003 13.507 4.370 1.00 0.00 H new ATOM 0 HG11 VAL C 24 117.137 11.514 2.856 1.00 0.00 H new ATOM 0 HG12 VAL C 24 118.225 11.322 4.251 1.00 0.00 H new ATOM 0 HG13 VAL C 24 116.669 10.460 4.211 1.00 0.00 H new ATOM 0 HG21 VAL C 24 115.003 12.810 3.093 1.00 0.00 H new ATOM 0 HG22 VAL C 24 114.525 11.729 4.424 1.00 0.00 H new ATOM 0 HG23 VAL C 24 114.548 13.491 4.674 1.00 0.00 H new ATOM 183 N LYS C 28 110.816 14.985 2.789 1.00 0.00 N ATOM 184 CA LYS C 28 111.092 13.890 1.864 1.00 0.00 C ATOM 185 C LYS C 28 110.903 12.529 2.547 1.00 0.00 C ATOM 186 O LYS C 28 110.574 11.538 1.891 1.00 0.00 O ATOM 187 CB LYS C 28 112.529 14.024 1.369 1.00 0.00 C ATOM 188 CG LYS C 28 112.702 15.381 0.667 1.00 0.00 C ATOM 189 CD LYS C 28 113.998 15.388 -0.156 1.00 0.00 C ATOM 190 CE LYS C 28 115.217 15.255 0.767 1.00 0.00 C ATOM 191 NZ LYS C 28 116.450 15.626 0.013 1.00 0.00 N ATOM 0 HA LYS C 28 110.394 13.944 1.028 1.00 0.00 H new ATOM 0 HB2 LYS C 28 113.223 13.944 2.206 1.00 0.00 H new ATOM 0 HB3 LYS C 28 112.765 13.213 0.680 1.00 0.00 H new ATOM 0 HG2 LYS C 28 111.848 15.574 0.017 1.00 0.00 H new ATOM 0 HG3 LYS C 28 112.727 16.181 1.407 1.00 0.00 H new ATOM 0 HD2 LYS C 28 113.985 14.567 -0.873 1.00 0.00 H new ATOM 0 HD3 LYS C 28 114.067 16.312 -0.730 1.00 0.00 H new ATOM 0 HE2 LYS C 28 115.101 15.901 1.637 1.00 0.00 H new ATOM 0 HE3 LYS C 28 115.297 14.233 1.137 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 117.278 15.537 0.636 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 116.561 14.992 -0.804 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 116.371 16.608 -0.320 1.00 0.00 H new ATOM 205 N GLY C 29 111.119 12.501 3.870 1.00 0.00 N ATOM 206 CA GLY C 29 110.979 11.270 4.652 1.00 0.00 C ATOM 207 C GLY C 29 112.296 10.504 4.689 1.00 0.00 C ATOM 208 O GLY C 29 113.157 10.776 5.534 1.00 0.00 O ATOM 0 H GLY C 29 111.391 13.317 4.418 1.00 0.00 H new ATOM 0 HA2 GLY C 29 110.664 11.512 5.667 1.00 0.00 H new ATOM 0 HA3 GLY C 29 110.200 10.644 4.217 1.00 0.00 H new ATOM 212 N ALA C 30 112.446 9.552 3.762 1.00 0.00 N ATOM 213 CA ALA C 30 113.661 8.744 3.668 1.00 0.00 C ATOM 214 C ALA C 30 114.082 8.581 2.203 1.00 0.00 C ATOM 215 O ALA C 30 113.288 8.840 1.293 1.00 0.00 O ATOM 216 CB ALA C 30 113.434 7.371 4.303 1.00 0.00 C ATOM 0 H ALA C 30 111.737 9.324 3.065 1.00 0.00 H new ATOM 0 HA ALA C 30 114.459 9.255 4.207 1.00 0.00 H new ATOM 0 HB1 ALA C 30 114.346 6.779 4.226 1.00 0.00 H new ATOM 0 HB2 ALA C 30 113.169 7.495 5.353 1.00 0.00 H new ATOM 0 HB3 ALA C 30 112.625 6.859 3.783 1.00 0.00 H new ATOM 222 N ILE C 31 115.335 8.150 1.984 1.00 0.00 N ATOM 223 CA ILE C 31 115.859 7.954 0.625 1.00 0.00 C ATOM 224 C ILE C 31 116.122 6.481 0.380 1.00 0.00 C ATOM 225 O ILE C 31 116.719 5.810 1.221 1.00 0.00 O ATOM 226 CB ILE C 31 117.194 8.699 0.393 1.00 0.00 C ATOM 227 CG1 ILE C 31 117.358 9.883 1.344 1.00 0.00 C ATOM 228 CG2 ILE C 31 117.234 9.215 -1.046 1.00 0.00 C ATOM 229 CD1 ILE C 31 118.656 10.646 1.014 1.00 0.00 C ATOM 0 H ILE C 31 115.999 7.932 2.727 1.00 0.00 H new ATOM 0 HA ILE C 31 115.104 8.349 -0.055 1.00 0.00 H new ATOM 0 HB ILE C 31 118.006 7.997 0.580 1.00 0.00 H new ATOM 0 HG12 ILE C 31 116.501 10.551 1.258 1.00 0.00 H new ATOM 0 HG13 ILE C 31 117.385 9.531 2.375 1.00 0.00 H new ATOM 0 HG21 ILE C 31 118.173 9.742 -1.218 1.00 0.00 H new ATOM 0 HG22 ILE C 31 117.158 8.375 -1.736 1.00 0.00 H new ATOM 0 HG23 ILE C 31 116.400 9.897 -1.211 1.00 0.00 H new ATOM 0 HD11 ILE C 31 118.766 11.489 1.696 1.00 0.00 H new ATOM 0 HD12 ILE C 31 119.509 9.977 1.123 1.00 0.00 H new ATOM 0 HD13 ILE C 31 118.612 11.013 -0.012 1.00 0.00 H new ATOM 241 N ILE C 32 115.717 5.999 -0.790 1.00 0.00 N ATOM 242 CA ILE C 32 115.950 4.607 -1.152 1.00 0.00 C ATOM 243 C ILE C 32 117.344 4.465 -1.752 1.00 0.00 C ATOM 244 O ILE C 32 117.674 5.102 -2.756 1.00 0.00 O ATOM 245 CB ILE C 32 114.866 4.103 -2.142 1.00 0.00 C ATOM 246 CG1 ILE C 32 113.697 3.498 -1.346 1.00 0.00 C ATOM 247 CG2 ILE C 32 115.431 3.031 -3.097 1.00 0.00 C ATOM 248 CD1 ILE C 32 114.147 2.213 -0.627 1.00 0.00 C ATOM 0 H ILE C 32 115.229 6.547 -1.499 1.00 0.00 H new ATOM 0 HA ILE C 32 115.886 3.991 -0.255 1.00 0.00 H new ATOM 0 HB ILE C 32 114.528 4.951 -2.738 1.00 0.00 H new ATOM 0 HG12 ILE C 32 113.332 4.221 -0.617 1.00 0.00 H new ATOM 0 HG13 ILE C 32 112.868 3.276 -2.017 1.00 0.00 H new ATOM 0 HG21 ILE C 32 114.646 2.699 -3.777 1.00 0.00 H new ATOM 0 HG22 ILE C 32 116.255 3.454 -3.672 1.00 0.00 H new ATOM 0 HG23 ILE C 32 115.792 2.181 -2.517 1.00 0.00 H new ATOM 0 HD11 ILE C 32 113.309 1.796 -0.068 1.00 0.00 H new ATOM 0 HD12 ILE C 32 114.490 1.485 -1.363 1.00 0.00 H new ATOM 0 HD13 ILE C 32 114.961 2.446 0.059 1.00 0.00 H new ATOM 260 N GLY C 33 118.133 3.603 -1.125 1.00 0.00 N ATOM 261 CA GLY C 33 119.487 3.320 -1.572 1.00 0.00 C ATOM 262 C GLY C 33 119.784 1.850 -1.352 1.00 0.00 C ATOM 263 O GLY C 33 119.171 1.215 -0.490 1.00 0.00 O ATOM 0 H GLY C 33 117.852 3.082 -0.294 1.00 0.00 H new ATOM 0 HA2 GLY C 33 119.595 3.572 -2.627 1.00 0.00 H new ATOM 0 HA3 GLY C 33 120.201 3.934 -1.023 1.00 0.00 H new ATOM 267 N LEU C 34 120.711 1.305 -2.129 1.00 0.00 N ATOM 268 CA LEU C 34 121.064 -0.112 -1.993 1.00 0.00 C ATOM 269 C LEU C 34 122.558 -0.303 -1.888 1.00 0.00 C ATOM 270 O LEU C 34 123.343 0.515 -2.355 1.00 0.00 O ATOM 271 CB LEU C 34 120.543 -0.943 -3.173 1.00 0.00 C ATOM 272 CG LEU C 34 120.800 -0.196 -4.480 1.00 0.00 C ATOM 273 CD1 LEU C 34 121.182 -1.217 -5.558 1.00 0.00 C ATOM 274 CD2 LEU C 34 119.541 0.601 -4.878 1.00 0.00 C ATOM 0 H LEU C 34 121.228 1.808 -2.850 1.00 0.00 H new ATOM 0 HA LEU C 34 120.589 -0.458 -1.075 1.00 0.00 H new ATOM 0 HB2 LEU C 34 121.038 -1.914 -3.194 1.00 0.00 H new ATOM 0 HB3 LEU C 34 119.476 -1.132 -3.054 1.00 0.00 H new ATOM 0 HG LEU C 34 121.618 0.514 -4.363 1.00 0.00 H new ATOM 0 HD11 LEU C 34 121.369 -0.700 -6.499 1.00 0.00 H new ATOM 0 HD12 LEU C 34 122.082 -1.750 -5.252 1.00 0.00 H new ATOM 0 HD13 LEU C 34 120.367 -1.928 -5.691 1.00 0.00 H new ATOM 0 HD21 LEU C 34 119.727 1.133 -5.811 1.00 0.00 H new ATOM 0 HD22 LEU C 34 118.704 -0.084 -5.012 1.00 0.00 H new ATOM 0 HD23 LEU C 34 119.301 1.318 -4.093 1.00 0.00 H new ATOM 286 N MET C 35 122.917 -1.418 -1.283 1.00 0.00 N ATOM 287 CA MET C 35 124.321 -1.794 -1.104 1.00 0.00 C ATOM 288 C MET C 35 124.687 -2.841 -2.159 1.00 0.00 C ATOM 289 O MET C 35 123.838 -3.646 -2.533 1.00 0.00 O ATOM 290 CB MET C 35 124.551 -2.310 0.337 1.00 0.00 C ATOM 291 CG MET C 35 124.681 -3.840 0.378 1.00 0.00 C ATOM 292 SD MET C 35 124.604 -4.417 2.088 1.00 0.00 S ATOM 293 CE MET C 35 126.058 -3.530 2.680 1.00 0.00 C ATOM 0 H MET C 35 122.253 -2.092 -0.900 1.00 0.00 H new ATOM 0 HA MET C 35 124.970 -0.929 -1.240 1.00 0.00 H new ATOM 0 HB2 MET C 35 125.454 -1.857 0.746 1.00 0.00 H new ATOM 0 HB3 MET C 35 123.722 -1.998 0.972 1.00 0.00 H new ATOM 0 HG2 MET C 35 123.882 -4.297 -0.206 1.00 0.00 H new ATOM 0 HG3 MET C 35 125.623 -4.146 -0.076 1.00 0.00 H new ATOM 0 HE1 MET C 35 126.460 -4.036 3.558 1.00 0.00 H new ATOM 0 HE2 MET C 35 126.815 -3.507 1.896 1.00 0.00 H new ATOM 0 HE3 MET C 35 125.779 -2.510 2.945 1.00 0.00 H new ATOM 303 N VAL C 36 125.934 -2.807 -2.647 1.00 0.00 N ATOM 304 CA VAL C 36 126.375 -3.747 -3.683 1.00 0.00 C ATOM 305 C VAL C 36 127.619 -4.522 -3.247 1.00 0.00 C ATOM 306 O VAL C 36 128.679 -3.928 -3.029 1.00 0.00 O ATOM 307 CB VAL C 36 126.704 -2.977 -4.982 1.00 0.00 C ATOM 308 CG1 VAL C 36 126.961 -3.968 -6.127 1.00 0.00 C ATOM 309 CG2 VAL C 36 125.549 -2.036 -5.369 1.00 0.00 C ATOM 0 H VAL C 36 126.648 -2.145 -2.344 1.00 0.00 H new ATOM 0 HA VAL C 36 125.563 -4.454 -3.852 1.00 0.00 H new ATOM 0 HB VAL C 36 127.598 -2.379 -4.806 1.00 0.00 H new ATOM 0 HG11 VAL C 36 127.192 -3.418 -7.039 1.00 0.00 H new ATOM 0 HG12 VAL C 36 127.801 -4.612 -5.869 1.00 0.00 H new ATOM 0 HG13 VAL C 36 126.072 -4.578 -6.287 1.00 0.00 H new ATOM 0 HG21 VAL C 36 125.804 -1.505 -6.286 1.00 0.00 H new ATOM 0 HG22 VAL C 36 124.642 -2.619 -5.527 1.00 0.00 H new ATOM 0 HG23 VAL C 36 125.382 -1.316 -4.568 1.00 0.00 H new ATOM 319 N GLY C 37 127.483 -5.854 -3.176 1.00 0.00 N ATOM 320 CA GLY C 37 128.586 -6.747 -2.831 1.00 0.00 C ATOM 321 C GLY C 37 129.123 -6.565 -1.411 1.00 0.00 C ATOM 322 O GLY C 37 129.224 -5.450 -0.900 1.00 0.00 O ATOM 0 H GLY C 37 126.603 -6.337 -3.357 1.00 0.00 H new ATOM 0 HA2 GLY C 37 128.254 -7.778 -2.952 1.00 0.00 H new ATOM 0 HA3 GLY C 37 129.401 -6.589 -3.538 1.00 0.00 H new ATOM 367 N GLY E 14 131.533 -2.543 0.682 1.00 0.00 N ATOM 368 CA GLY E 14 130.840 -2.656 -0.603 1.00 0.00 C ATOM 369 C GLY E 14 130.532 -1.290 -1.209 1.00 0.00 C ATOM 370 O GLY E 14 130.740 -0.250 -0.574 1.00 0.00 O ATOM 0 HA2 GLY E 14 131.454 -3.230 -1.297 1.00 0.00 H new ATOM 0 HA3 GLY E 14 129.911 -3.210 -0.466 1.00 0.00 H new ATOM 374 N GLU E 15 130.006 -1.315 -2.437 1.00 0.00 N ATOM 375 CA GLU E 15 129.624 -0.095 -3.150 1.00 0.00 C ATOM 376 C GLU E 15 128.151 0.175 -2.893 1.00 0.00 C ATOM 377 O GLU E 15 127.317 -0.680 -3.169 1.00 0.00 O ATOM 378 CB GLU E 15 129.878 -0.276 -4.658 1.00 0.00 C ATOM 379 CG GLU E 15 129.414 0.965 -5.438 1.00 0.00 C ATOM 380 CD GLU E 15 129.661 0.768 -6.935 1.00 0.00 C ATOM 381 OE1 GLU E 15 130.817 0.706 -7.321 1.00 0.00 O ATOM 382 OE2 GLU E 15 128.691 0.682 -7.672 1.00 0.00 O ATOM 0 H GLU E 15 129.835 -2.174 -2.960 1.00 0.00 H new ATOM 0 HA GLU E 15 130.217 0.749 -2.797 1.00 0.00 H new ATOM 0 HB2 GLU E 15 130.940 -0.448 -4.835 1.00 0.00 H new ATOM 0 HB3 GLU E 15 129.348 -1.158 -5.018 1.00 0.00 H new ATOM 0 HG2 GLU E 15 128.354 1.143 -5.257 1.00 0.00 H new ATOM 0 HG3 GLU E 15 129.950 1.847 -5.086 1.00 0.00 H new ATOM 389 N ILE E 16 127.841 1.355 -2.350 1.00 0.00 N ATOM 390 CA ILE E 16 126.453 1.699 -2.038 1.00 0.00 C ATOM 391 C ILE E 16 125.898 2.729 -3.029 1.00 0.00 C ATOM 392 O ILE E 16 126.506 3.772 -3.283 1.00 0.00 O ATOM 393 CB ILE E 16 126.357 2.194 -0.581 1.00 0.00 C ATOM 394 CG1 ILE E 16 126.996 1.119 0.354 1.00 0.00 C ATOM 395 CG2 ILE E 16 124.883 2.426 -0.223 1.00 0.00 C ATOM 396 CD1 ILE E 16 126.307 1.051 1.730 1.00 0.00 C ATOM 0 H ILE E 16 128.522 2.079 -2.120 1.00 0.00 H new ATOM 0 HA ILE E 16 125.836 0.806 -2.139 1.00 0.00 H new ATOM 0 HB ILE E 16 126.893 3.135 -0.457 1.00 0.00 H new ATOM 0 HG12 ILE E 16 126.937 0.143 -0.127 1.00 0.00 H new ATOM 0 HG13 ILE E 16 128.054 1.344 0.491 1.00 0.00 H new ATOM 0 HG21 ILE E 16 124.809 2.776 0.807 1.00 0.00 H new ATOM 0 HG22 ILE E 16 124.460 3.175 -0.892 1.00 0.00 H new ATOM 0 HG23 ILE E 16 124.332 1.492 -0.329 1.00 0.00 H new ATOM 0 HD11 ILE E 16 126.789 0.288 2.341 1.00 0.00 H new ATOM 0 HD12 ILE E 16 126.388 2.018 2.226 1.00 0.00 H new ATOM 0 HD13 ILE E 16 125.255 0.798 1.598 1.00 0.00 H new ATOM 408 N VAL E 17 124.740 2.374 -3.597 1.00 0.00 N ATOM 409 CA VAL E 17 124.035 3.183 -4.599 1.00 0.00 C ATOM 410 C VAL E 17 122.796 3.872 -4.022 1.00 0.00 C ATOM 411 O VAL E 17 122.097 3.316 -3.179 1.00 0.00 O ATOM 412 CB VAL E 17 123.601 2.260 -5.757 1.00 0.00 C ATOM 413 CG1 VAL E 17 122.658 3.002 -6.729 1.00 0.00 C ATOM 414 CG2 VAL E 17 124.844 1.775 -6.508 1.00 0.00 C ATOM 0 H VAL E 17 124.259 1.504 -3.370 1.00 0.00 H new ATOM 0 HA VAL E 17 124.715 3.962 -4.943 1.00 0.00 H new ATOM 0 HB VAL E 17 123.061 1.408 -5.344 1.00 0.00 H new ATOM 0 HG11 VAL E 17 122.366 2.330 -7.536 1.00 0.00 H new ATOM 0 HG12 VAL E 17 121.769 3.332 -6.192 1.00 0.00 H new ATOM 0 HG13 VAL E 17 123.173 3.868 -7.145 1.00 0.00 H new ATOM 0 HG21 VAL E 17 124.543 1.122 -7.327 1.00 0.00 H new ATOM 0 HG22 VAL E 17 125.385 2.633 -6.908 1.00 0.00 H new ATOM 0 HG23 VAL E 17 125.490 1.224 -5.824 1.00 0.00 H new ATOM 424 N TYR E 18 122.526 5.076 -4.534 1.00 0.00 N ATOM 425 CA TYR E 18 121.355 5.863 -4.141 1.00 0.00 C ATOM 426 C TYR E 18 120.600 6.292 -5.401 1.00 0.00 C ATOM 427 O TYR E 18 121.199 6.884 -6.304 1.00 0.00 O ATOM 428 CB TYR E 18 121.792 7.101 -3.344 1.00 0.00 C ATOM 429 CG TYR E 18 122.098 6.714 -1.921 1.00 0.00 C ATOM 430 CD1 TYR E 18 123.318 6.116 -1.607 1.00 0.00 C ATOM 431 CD2 TYR E 18 121.159 6.967 -0.916 1.00 0.00 C ATOM 432 CE1 TYR E 18 123.601 5.767 -0.287 1.00 0.00 C ATOM 433 CE2 TYR E 18 121.442 6.623 0.404 1.00 0.00 C ATOM 434 CZ TYR E 18 122.665 6.021 0.723 1.00 0.00 C ATOM 435 OH TYR E 18 122.951 5.686 2.033 1.00 0.00 O ATOM 0 H TYR E 18 123.113 5.532 -5.232 1.00 0.00 H new ATOM 0 HA TYR E 18 120.704 5.258 -3.510 1.00 0.00 H new ATOM 0 HB2 TYR E 18 122.672 7.549 -3.805 1.00 0.00 H new ATOM 0 HB3 TYR E 18 121.004 7.854 -3.364 1.00 0.00 H new ATOM 0 HD1 TYR E 18 124.042 5.924 -2.385 1.00 0.00 H new ATOM 0 HD2 TYR E 18 120.215 7.429 -1.163 1.00 0.00 H new ATOM 0 HE1 TYR E 18 124.544 5.300 -0.043 1.00 0.00 H new ATOM 0 HE2 TYR E 18 120.718 6.821 1.181 1.00 0.00 H new ATOM 0 HH TYR E 18 122.621 6.389 2.630 1.00 0.00 H new ATOM 445 N LEU E 19 119.290 5.996 -5.459 1.00 0.00 N ATOM 446 CA LEU E 19 118.469 6.366 -6.625 1.00 0.00 C ATOM 447 C LEU E 19 117.285 7.260 -6.196 1.00 0.00 C ATOM 448 O LEU E 19 116.121 6.943 -6.471 1.00 0.00 O ATOM 449 CB LEU E 19 117.928 5.104 -7.343 1.00 0.00 C ATOM 450 CG LEU E 19 119.048 4.077 -7.617 1.00 0.00 C ATOM 451 CD1 LEU E 19 118.434 2.730 -8.032 1.00 0.00 C ATOM 452 CD2 LEU E 19 119.978 4.574 -8.738 1.00 0.00 C ATOM 0 H LEU E 19 118.782 5.508 -4.722 1.00 0.00 H new ATOM 0 HA LEU E 19 119.105 6.920 -7.315 1.00 0.00 H new ATOM 0 HB2 LEU E 19 117.153 4.642 -6.732 1.00 0.00 H new ATOM 0 HB3 LEU E 19 117.461 5.393 -8.285 1.00 0.00 H new ATOM 0 HG LEU E 19 119.628 3.952 -6.702 1.00 0.00 H new ATOM 0 HD11 LEU E 19 119.230 2.011 -8.224 1.00 0.00 H new ATOM 0 HD12 LEU E 19 117.795 2.359 -7.231 1.00 0.00 H new ATOM 0 HD13 LEU E 19 117.841 2.864 -8.937 1.00 0.00 H new ATOM 0 HD21 LEU E 19 120.760 3.836 -8.916 1.00 0.00 H new ATOM 0 HD22 LEU E 19 119.401 4.719 -9.652 1.00 0.00 H new ATOM 0 HD23 LEU E 19 120.432 5.520 -8.442 1.00 0.00 H new ATOM 464 N PRO E 20 117.551 8.383 -5.550 1.00 0.00 N ATOM 465 CA PRO E 20 116.473 9.326 -5.105 1.00 0.00 C ATOM 466 C PRO E 20 115.708 9.898 -6.293 1.00 0.00 C ATOM 467 O PRO E 20 114.632 10.481 -6.130 1.00 0.00 O ATOM 468 CB PRO E 20 117.228 10.441 -4.364 1.00 0.00 C ATOM 469 CG PRO E 20 118.641 10.350 -4.835 1.00 0.00 C ATOM 470 CD PRO E 20 118.886 8.884 -5.178 1.00 0.00 C ATOM 0 HA PRO E 20 115.729 8.830 -4.481 1.00 0.00 H new ATOM 0 HB2 PRO E 20 116.802 11.419 -4.589 1.00 0.00 H new ATOM 0 HB3 PRO E 20 117.165 10.306 -3.284 1.00 0.00 H new ATOM 0 HG2 PRO E 20 118.802 10.985 -5.706 1.00 0.00 H new ATOM 0 HG3 PRO E 20 119.331 10.689 -4.062 1.00 0.00 H new ATOM 0 HD2 PRO E 20 119.596 8.778 -5.998 1.00 0.00 H new ATOM 0 HD3 PRO E 20 119.296 8.337 -4.329 1.00 0.00 H new ATOM 478 N ASN E 21 116.298 9.752 -7.481 1.00 0.00 N ATOM 479 CA ASN E 21 115.711 10.278 -8.707 1.00 0.00 C ATOM 480 C ASN E 21 114.720 9.291 -9.334 1.00 0.00 C ATOM 481 O ASN E 21 114.056 9.632 -10.313 1.00 0.00 O ATOM 482 CB ASN E 21 116.831 10.572 -9.718 1.00 0.00 C ATOM 483 CG ASN E 21 117.938 11.429 -9.088 1.00 0.00 C ATOM 484 OD1 ASN E 21 117.731 12.080 -8.062 1.00 0.00 O ATOM 485 ND2 ASN E 21 119.110 11.476 -9.659 1.00 0.00 N ATOM 0 H ASN E 21 117.187 9.270 -7.616 1.00 0.00 H new ATOM 0 HA ASN E 21 115.168 11.189 -8.454 1.00 0.00 H new ATOM 0 HB2 ASN E 21 117.254 9.634 -10.078 1.00 0.00 H new ATOM 0 HB3 ASN E 21 116.416 11.088 -10.584 1.00 0.00 H new ATOM 0 HD21 ASN E 21 119.851 12.050 -9.256 1.00 0.00 H new ATOM 0 HD22 ASN E 21 119.286 10.939 -10.508 1.00 0.00 H new ATOM 492 N LEU E 22 114.625 8.070 -8.782 1.00 0.00 N ATOM 493 CA LEU E 22 113.718 7.060 -9.329 1.00 0.00 C ATOM 494 C LEU E 22 112.385 7.050 -8.593 1.00 0.00 C ATOM 495 O LEU E 22 112.337 7.081 -7.360 1.00 0.00 O ATOM 496 CB LEU E 22 114.376 5.673 -9.249 1.00 0.00 C ATOM 497 CG LEU E 22 115.230 5.407 -10.504 1.00 0.00 C ATOM 498 CD1 LEU E 22 116.263 6.530 -10.708 1.00 0.00 C ATOM 499 CD2 LEU E 22 115.950 4.055 -10.350 1.00 0.00 C ATOM 0 H LEU E 22 115.159 7.766 -7.968 1.00 0.00 H new ATOM 0 HA LEU E 22 113.520 7.311 -10.371 1.00 0.00 H new ATOM 0 HB2 LEU E 22 115.000 5.611 -8.358 1.00 0.00 H new ATOM 0 HB3 LEU E 22 113.608 4.905 -9.155 1.00 0.00 H new ATOM 0 HG LEU E 22 114.577 5.380 -11.377 1.00 0.00 H new ATOM 0 HD11 LEU E 22 116.855 6.322 -11.599 1.00 0.00 H new ATOM 0 HD12 LEU E 22 115.746 7.482 -10.829 1.00 0.00 H new ATOM 0 HD13 LEU E 22 116.920 6.582 -9.840 1.00 0.00 H new ATOM 0 HD21 LEU E 22 116.556 3.862 -11.236 1.00 0.00 H new ATOM 0 HD22 LEU E 22 116.593 4.083 -9.470 1.00 0.00 H new ATOM 0 HD23 LEU E 22 115.212 3.261 -10.235 1.00 0.00 H new ATOM 511 N ASN E 23 111.310 6.989 -9.377 1.00 0.00 N ATOM 512 CA ASN E 23 109.951 6.954 -8.834 1.00 0.00 C ATOM 513 C ASN E 23 109.653 5.553 -8.285 1.00 0.00 C ATOM 514 O ASN E 23 110.360 4.600 -8.626 1.00 0.00 O ATOM 515 CB ASN E 23 108.950 7.313 -9.944 1.00 0.00 C ATOM 516 CG ASN E 23 109.022 8.808 -10.259 1.00 0.00 C ATOM 517 OD1 ASN E 23 110.155 9.338 -10.628 1.00 0.00 O flip ATOM 518 ND2 ASN E 23 108.016 9.512 -10.164 1.00 0.00 N flip ATOM 0 H ASN E 23 111.353 6.963 -10.396 1.00 0.00 H new ATOM 0 HA ASN E 23 109.860 7.677 -8.024 1.00 0.00 H new ATOM 0 HB2 ASN E 23 109.168 6.734 -10.841 1.00 0.00 H new ATOM 0 HB3 ASN E 23 107.940 7.048 -9.632 1.00 0.00 H new ATOM 0 HD21 ASN E 23 107.129 9.098 -9.875 1.00 0.00 H new ATOM 0 HD22 ASN E 23 108.069 10.509 -10.374 1.00 0.00 H new ATOM 525 N PRO E 24 108.632 5.394 -7.455 1.00 0.00 N ATOM 526 CA PRO E 24 108.275 4.053 -6.880 1.00 0.00 C ATOM 527 C PRO E 24 108.111 2.998 -7.974 1.00 0.00 C ATOM 528 O PRO E 24 108.468 1.834 -7.783 1.00 0.00 O ATOM 529 CB PRO E 24 106.951 4.305 -6.148 1.00 0.00 C ATOM 530 CG PRO E 24 106.944 5.766 -5.840 1.00 0.00 C ATOM 531 CD PRO E 24 107.719 6.450 -6.968 1.00 0.00 C ATOM 0 HA PRO E 24 109.052 3.664 -6.222 1.00 0.00 H new ATOM 0 HB2 PRO E 24 106.099 4.030 -6.770 1.00 0.00 H new ATOM 0 HB3 PRO E 24 106.886 3.710 -5.237 1.00 0.00 H new ATOM 0 HG2 PRO E 24 105.924 6.146 -5.784 1.00 0.00 H new ATOM 0 HG3 PRO E 24 107.410 5.961 -4.874 1.00 0.00 H new ATOM 0 HD2 PRO E 24 107.053 6.799 -7.757 1.00 0.00 H new ATOM 0 HD3 PRO E 24 108.268 7.319 -6.607 1.00 0.00 H new ATOM 539 N ASP E 25 107.601 3.432 -9.128 1.00 0.00 N ATOM 540 CA ASP E 25 107.422 2.541 -10.269 1.00 0.00 C ATOM 541 C ASP E 25 108.781 2.040 -10.750 1.00 0.00 C ATOM 542 O ASP E 25 108.978 0.843 -10.971 1.00 0.00 O ATOM 543 CB ASP E 25 106.740 3.299 -11.411 1.00 0.00 C ATOM 544 CG ASP E 25 106.387 2.337 -12.547 1.00 0.00 C ATOM 545 OD1 ASP E 25 105.345 1.706 -12.462 1.00 0.00 O ATOM 546 OD2 ASP E 25 107.165 2.242 -13.483 1.00 0.00 O ATOM 0 H ASP E 25 107.306 4.394 -9.294 1.00 0.00 H new ATOM 0 HA ASP E 25 106.805 1.695 -9.966 1.00 0.00 H new ATOM 0 HB2 ASP E 25 105.837 3.788 -11.045 1.00 0.00 H new ATOM 0 HB3 ASP E 25 107.400 4.084 -11.781 1.00 0.00 H new ATOM 551 N GLN E 26 109.709 2.988 -10.910 1.00 0.00 N ATOM 552 CA GLN E 26 111.058 2.687 -11.368 1.00 0.00 C ATOM 553 C GLN E 26 111.803 1.819 -10.353 1.00 0.00 C ATOM 554 O GLN E 26 112.441 0.831 -10.729 1.00 0.00 O ATOM 555 CB GLN E 26 111.815 4.002 -11.581 1.00 0.00 C ATOM 556 CG GLN E 26 111.142 4.828 -12.693 1.00 0.00 C ATOM 557 CD GLN E 26 111.201 4.079 -14.022 1.00 0.00 C ATOM 558 OE1 GLN E 26 112.348 3.644 -14.459 1.00 0.00 O flip ATOM 559 NE2 GLN E 26 110.178 3.885 -14.675 1.00 0.00 N flip ATOM 0 H GLN E 26 109.543 3.977 -10.726 1.00 0.00 H new ATOM 0 HA GLN E 26 110.997 2.132 -12.304 1.00 0.00 H new ATOM 0 HB2 GLN E 26 111.833 4.574 -10.653 1.00 0.00 H new ATOM 0 HB3 GLN E 26 112.851 3.795 -11.848 1.00 0.00 H new ATOM 0 HG2 GLN E 26 110.104 5.030 -12.428 1.00 0.00 H new ATOM 0 HG3 GLN E 26 111.639 5.793 -12.790 1.00 0.00 H new ATOM 0 HE21 GLN E 26 109.281 4.227 -14.331 1.00 0.00 H new ATOM 0 HE22 GLN E 26 110.226 3.382 -15.561 1.00 0.00 H new ATOM 568 N LEU E 27 111.717 2.193 -9.070 1.00 0.00 N ATOM 569 CA LEU E 27 112.386 1.430 -8.011 1.00 0.00 C ATOM 570 C LEU E 27 111.815 0.015 -7.941 1.00 0.00 C ATOM 571 O LEU E 27 112.565 -0.955 -7.828 1.00 0.00 O ATOM 572 CB LEU E 27 112.221 2.123 -6.646 1.00 0.00 C ATOM 573 CG LEU E 27 112.888 3.512 -6.654 1.00 0.00 C ATOM 574 CD1 LEU E 27 112.612 4.228 -5.325 1.00 0.00 C ATOM 575 CD2 LEU E 27 114.410 3.379 -6.840 1.00 0.00 C ATOM 0 H LEU E 27 111.198 3.008 -8.744 1.00 0.00 H new ATOM 0 HA LEU E 27 113.448 1.380 -8.249 1.00 0.00 H new ATOM 0 HB2 LEU E 27 111.162 2.225 -6.410 1.00 0.00 H new ATOM 0 HB3 LEU E 27 112.664 1.506 -5.864 1.00 0.00 H new ATOM 0 HG LEU E 27 112.473 4.087 -7.482 1.00 0.00 H new ATOM 0 HD11 LEU E 27 113.086 5.210 -5.335 1.00 0.00 H new ATOM 0 HD12 LEU E 27 111.537 4.345 -5.191 1.00 0.00 H new ATOM 0 HD13 LEU E 27 113.017 3.638 -4.503 1.00 0.00 H new ATOM 0 HD21 LEU E 27 114.864 4.370 -6.843 1.00 0.00 H new ATOM 0 HD22 LEU E 27 114.827 2.792 -6.022 1.00 0.00 H new ATOM 0 HD23 LEU E 27 114.619 2.881 -7.787 1.00 0.00 H new ATOM 587 N CYS E 28 110.484 -0.095 -8.022 1.00 0.00 N ATOM 588 CA CYS E 28 109.820 -1.401 -7.981 1.00 0.00 C ATOM 589 C CYS E 28 110.234 -2.241 -9.190 1.00 0.00 C ATOM 590 O CYS E 28 110.518 -3.435 -9.058 1.00 0.00 O ATOM 591 CB CYS E 28 108.297 -1.224 -7.963 1.00 0.00 C ATOM 592 SG CYS E 28 107.509 -2.810 -7.584 1.00 0.00 S ATOM 0 H CYS E 28 109.850 0.699 -8.116 1.00 0.00 H new ATOM 0 HA CYS E 28 110.124 -1.917 -7.070 1.00 0.00 H new ATOM 0 HB2 CYS E 28 108.016 -0.479 -7.219 1.00 0.00 H new ATOM 0 HB3 CYS E 28 107.952 -0.856 -8.929 1.00 0.00 H new ATOM 597 N ALA E 29 110.275 -1.599 -10.364 1.00 0.00 N ATOM 598 CA ALA E 29 110.664 -2.276 -11.602 1.00 0.00 C ATOM 599 C ALA E 29 112.105 -2.771 -11.503 1.00 0.00 C ATOM 600 O ALA E 29 112.410 -3.917 -11.849 1.00 0.00 O ATOM 601 CB ALA E 29 110.543 -1.302 -12.780 1.00 0.00 C ATOM 0 H ALA E 29 110.043 -0.612 -10.480 1.00 0.00 H new ATOM 0 HA ALA E 29 110.004 -3.129 -11.759 1.00 0.00 H new ATOM 0 HB1 ALA E 29 110.833 -1.807 -13.701 1.00 0.00 H new ATOM 0 HB2 ALA E 29 109.512 -0.958 -12.864 1.00 0.00 H new ATOM 0 HB3 ALA E 29 111.198 -0.447 -12.614 1.00 0.00 H new ATOM 607 N PHE E 30 112.978 -1.892 -11.015 1.00 0.00 N ATOM 608 CA PHE E 30 114.392 -2.213 -10.847 1.00 0.00 C ATOM 609 C PHE E 30 114.561 -3.358 -9.848 1.00 0.00 C ATOM 610 O PHE E 30 115.235 -4.338 -10.136 1.00 0.00 O ATOM 611 CB PHE E 30 115.132 -0.951 -10.365 1.00 0.00 C ATOM 612 CG PHE E 30 116.574 -1.262 -10.002 1.00 0.00 C ATOM 613 CD1 PHE E 30 117.451 -1.803 -10.954 1.00 0.00 C ATOM 614 CD2 PHE E 30 117.036 -0.990 -8.706 1.00 0.00 C ATOM 615 CE1 PHE E 30 118.781 -2.071 -10.604 1.00 0.00 C ATOM 616 CE2 PHE E 30 118.364 -1.260 -8.363 1.00 0.00 C ATOM 617 CZ PHE E 30 119.232 -1.798 -9.310 1.00 0.00 C ATOM 0 H PHE E 30 112.728 -0.946 -10.728 1.00 0.00 H new ATOM 0 HA PHE E 30 114.814 -2.537 -11.798 1.00 0.00 H new ATOM 0 HB2 PHE E 30 115.107 -0.191 -11.146 1.00 0.00 H new ATOM 0 HB3 PHE E 30 114.618 -0.534 -9.499 1.00 0.00 H new ATOM 0 HD1 PHE E 30 117.102 -2.012 -11.954 1.00 0.00 H new ATOM 0 HD2 PHE E 30 116.364 -0.571 -7.971 1.00 0.00 H new ATOM 0 HE1 PHE E 30 119.458 -2.489 -11.335 1.00 0.00 H new ATOM 0 HE2 PHE E 30 118.717 -1.051 -7.364 1.00 0.00 H new ATOM 0 HZ PHE E 30 120.258 -2.005 -9.043 1.00 0.00 H new ATOM 627 N ILE E 31 113.937 -3.210 -8.681 1.00 0.00 N ATOM 628 CA ILE E 31 114.003 -4.215 -7.613 1.00 0.00 C ATOM 629 C ILE E 31 113.465 -5.578 -8.070 1.00 0.00 C ATOM 630 O ILE E 31 113.981 -6.622 -7.652 1.00 0.00 O ATOM 631 CB ILE E 31 113.222 -3.671 -6.399 1.00 0.00 C ATOM 632 CG1 ILE E 31 114.042 -2.539 -5.767 1.00 0.00 C ATOM 633 CG2 ILE E 31 112.967 -4.753 -5.338 1.00 0.00 C ATOM 634 CD1 ILE E 31 113.185 -1.762 -4.771 1.00 0.00 C ATOM 0 H ILE E 31 113.372 -2.394 -8.446 1.00 0.00 H new ATOM 0 HA ILE E 31 115.044 -4.387 -7.338 1.00 0.00 H new ATOM 0 HB ILE E 31 112.252 -3.318 -6.749 1.00 0.00 H new ATOM 0 HG12 ILE E 31 114.916 -2.951 -5.263 1.00 0.00 H new ATOM 0 HG13 ILE E 31 114.409 -1.868 -6.544 1.00 0.00 H new ATOM 0 HG21 ILE E 31 112.414 -4.321 -4.504 1.00 0.00 H new ATOM 0 HG22 ILE E 31 112.386 -5.564 -5.777 1.00 0.00 H new ATOM 0 HG23 ILE E 31 113.920 -5.143 -4.979 1.00 0.00 H new ATOM 0 HD11 ILE E 31 113.777 -0.961 -4.329 1.00 0.00 H new ATOM 0 HD12 ILE E 31 112.325 -1.335 -5.287 1.00 0.00 H new ATOM 0 HD13 ILE E 31 112.840 -2.434 -3.986 1.00 0.00 H new ATOM 646 N HIS E 32 112.441 -5.572 -8.928 1.00 0.00 N ATOM 647 CA HIS E 32 111.868 -6.827 -9.416 1.00 0.00 C ATOM 648 C HIS E 32 112.893 -7.568 -10.272 1.00 0.00 C ATOM 649 O HIS E 32 113.154 -8.753 -10.060 1.00 0.00 O ATOM 650 CB HIS E 32 110.606 -6.541 -10.244 1.00 0.00 C ATOM 651 CG HIS E 32 109.842 -7.820 -10.483 1.00 0.00 C ATOM 652 ND1 HIS E 32 110.382 -8.893 -11.174 1.00 0.00 N ATOM 653 CD2 HIS E 32 108.570 -8.204 -10.133 1.00 0.00 C ATOM 654 CE1 HIS E 32 109.448 -9.861 -11.217 1.00 0.00 C ATOM 655 NE2 HIS E 32 108.325 -9.493 -10.598 1.00 0.00 N ATOM 0 H HIS E 32 111.999 -4.728 -9.293 1.00 0.00 H new ATOM 0 HA HIS E 32 111.599 -7.449 -8.562 1.00 0.00 H new ATOM 0 HB2 HIS E 32 109.974 -5.823 -9.722 1.00 0.00 H new ATOM 0 HB3 HIS E 32 110.881 -6.089 -11.197 1.00 0.00 H new ATOM 0 HD1 HIS E 32 111.318 -8.941 -11.577 1.00 0.00 H new ATOM 0 HD2 HIS E 32 107.867 -7.598 -9.581 1.00 0.00 H new ATOM 0 HE1 HIS E 32 109.590 -10.819 -11.695 1.00 0.00 H new ATOM 664 N SER E 33 113.467 -6.844 -11.235 1.00 0.00 N ATOM 665 CA SER E 33 114.474 -7.405 -12.141 1.00 0.00 C ATOM 666 C SER E 33 115.773 -7.724 -11.394 1.00 0.00 C ATOM 667 O SER E 33 116.399 -8.764 -11.622 1.00 0.00 O ATOM 668 CB SER E 33 114.752 -6.391 -13.252 1.00 0.00 C ATOM 669 OG SER E 33 115.668 -6.946 -14.193 1.00 0.00 O ATOM 0 H SER E 33 113.251 -5.862 -11.409 1.00 0.00 H new ATOM 0 HA SER E 33 114.093 -8.335 -12.562 1.00 0.00 H new ATOM 0 HB2 SER E 33 113.822 -6.121 -13.752 1.00 0.00 H new ATOM 0 HB3 SER E 33 115.163 -5.475 -12.827 1.00 0.00 H new ATOM 0 HG SER E 33 115.842 -6.294 -14.904 1.00 0.00 H new ATOM 675 N LEU E 34 116.160 -6.805 -10.510 1.00 0.00 N ATOM 676 CA LEU E 34 117.379 -6.933 -9.710 1.00 0.00 C ATOM 677 C LEU E 34 117.352 -8.224 -8.893 1.00 0.00 C ATOM 678 O LEU E 34 118.364 -8.921 -8.779 1.00 0.00 O ATOM 679 CB LEU E 34 117.476 -5.711 -8.779 1.00 0.00 C ATOM 680 CG LEU E 34 118.806 -5.687 -8.016 1.00 0.00 C ATOM 681 CD1 LEU E 34 119.969 -5.531 -9.008 1.00 0.00 C ATOM 682 CD2 LEU E 34 118.801 -4.504 -7.020 1.00 0.00 C ATOM 0 H LEU E 34 115.636 -5.949 -10.328 1.00 0.00 H new ATOM 0 HA LEU E 34 118.249 -6.973 -10.365 1.00 0.00 H new ATOM 0 HB2 LEU E 34 117.376 -4.797 -9.365 1.00 0.00 H new ATOM 0 HB3 LEU E 34 116.649 -5.727 -8.069 1.00 0.00 H new ATOM 0 HG LEU E 34 118.931 -6.621 -7.468 1.00 0.00 H new ATOM 0 HD11 LEU E 34 120.913 -5.514 -8.463 1.00 0.00 H new ATOM 0 HD12 LEU E 34 119.968 -6.369 -9.705 1.00 0.00 H new ATOM 0 HD13 LEU E 34 119.853 -4.599 -9.561 1.00 0.00 H new ATOM 0 HD21 LEU E 34 119.745 -4.483 -6.475 1.00 0.00 H new ATOM 0 HD22 LEU E 34 118.676 -3.569 -7.566 1.00 0.00 H new ATOM 0 HD23 LEU E 34 117.978 -4.625 -6.316 1.00 0.00 H new ATOM 694 N HIS E 35 116.181 -8.529 -8.331 1.00 0.00 N ATOM 695 CA HIS E 35 116.001 -9.735 -7.523 1.00 0.00 C ATOM 696 C HIS E 35 115.986 -11.002 -8.400 1.00 0.00 C ATOM 697 O HIS E 35 116.511 -12.042 -7.994 1.00 0.00 O ATOM 698 CB HIS E 35 114.689 -9.617 -6.725 1.00 0.00 C ATOM 699 CG HIS E 35 114.545 -10.784 -5.777 1.00 0.00 C ATOM 700 ND1 HIS E 35 115.283 -10.881 -4.607 1.00 0.00 N ATOM 701 CD2 HIS E 35 113.761 -11.911 -5.820 1.00 0.00 C ATOM 702 CE1 HIS E 35 114.932 -12.030 -4.000 1.00 0.00 C ATOM 703 NE2 HIS E 35 114.007 -12.696 -4.697 1.00 0.00 N ATOM 0 H HIS E 35 115.342 -7.956 -8.421 1.00 0.00 H new ATOM 0 HA HIS E 35 116.842 -9.825 -6.836 1.00 0.00 H new ATOM 0 HB2 HIS E 35 114.679 -8.682 -6.165 1.00 0.00 H new ATOM 0 HB3 HIS E 35 113.841 -9.589 -7.409 1.00 0.00 H new ATOM 0 HD2 HIS E 35 113.060 -12.152 -6.606 1.00 0.00 H new ATOM 0 HE1 HIS E 35 115.348 -12.372 -3.064 1.00 0.00 H new ATOM 0 HE2 HIS E 35 113.574 -13.588 -4.458 1.00 0.00 H new ATOM 712 N ASP E 36 115.353 -10.911 -9.578 1.00 0.00 N ATOM 713 CA ASP E 36 115.243 -12.063 -10.489 1.00 0.00 C ATOM 714 C ASP E 36 116.610 -12.602 -10.923 1.00 0.00 C ATOM 715 O ASP E 36 116.790 -13.820 -11.013 1.00 0.00 O ATOM 716 CB ASP E 36 114.442 -11.674 -11.747 1.00 0.00 C ATOM 717 CG ASP E 36 112.977 -11.339 -11.418 1.00 0.00 C ATOM 718 OD1 ASP E 36 112.451 -11.858 -10.442 1.00 0.00 O ATOM 719 OD2 ASP E 36 112.392 -10.573 -12.169 1.00 0.00 O ATOM 0 H ASP E 36 114.912 -10.058 -9.922 1.00 0.00 H new ATOM 0 HA ASP E 36 114.728 -12.849 -9.936 1.00 0.00 H new ATOM 0 HB2 ASP E 36 114.912 -10.814 -12.224 1.00 0.00 H new ATOM 0 HB3 ASP E 36 114.474 -12.494 -12.465 1.00 0.00 H new ATOM 724 N ASP E 37 117.554 -11.700 -11.218 1.00 0.00 N ATOM 725 CA ASP E 37 118.890 -12.110 -11.675 1.00 0.00 C ATOM 726 C ASP E 37 120.005 -11.388 -10.896 1.00 0.00 C ATOM 727 O ASP E 37 120.505 -10.349 -11.341 1.00 0.00 O ATOM 728 CB ASP E 37 119.027 -11.815 -13.179 1.00 0.00 C ATOM 729 CG ASP E 37 118.214 -12.821 -13.998 1.00 0.00 C ATOM 730 OD1 ASP E 37 116.997 -12.808 -13.881 1.00 0.00 O ATOM 731 OD2 ASP E 37 118.819 -13.588 -14.732 1.00 0.00 O ATOM 0 H ASP E 37 117.421 -10.691 -11.150 1.00 0.00 H new ATOM 0 HA ASP E 37 118.999 -13.179 -11.492 1.00 0.00 H new ATOM 0 HB2 ASP E 37 118.683 -10.803 -13.390 1.00 0.00 H new ATOM 0 HB3 ASP E 37 120.076 -11.862 -13.471 1.00 0.00 H new ATOM 736 N PRO E 38 120.419 -11.920 -9.756 1.00 0.00 N ATOM 737 CA PRO E 38 121.512 -11.301 -8.941 1.00 0.00 C ATOM 738 C PRO E 38 122.854 -11.358 -9.678 1.00 0.00 C ATOM 739 O PRO E 38 123.713 -10.491 -9.498 1.00 0.00 O ATOM 740 CB PRO E 38 121.539 -12.130 -7.651 1.00 0.00 C ATOM 741 CG PRO E 38 120.902 -13.435 -7.999 1.00 0.00 C ATOM 742 CD PRO E 38 119.906 -13.153 -9.123 1.00 0.00 C ATOM 0 HA PRO E 38 121.337 -10.243 -8.744 1.00 0.00 H new ATOM 0 HB2 PRO E 38 122.560 -12.274 -7.299 1.00 0.00 H new ATOM 0 HB3 PRO E 38 120.994 -11.629 -6.851 1.00 0.00 H new ATOM 0 HG2 PRO E 38 121.652 -14.158 -8.319 1.00 0.00 H new ATOM 0 HG3 PRO E 38 120.397 -13.862 -7.133 1.00 0.00 H new ATOM 0 HD2 PRO E 38 119.863 -13.978 -9.834 1.00 0.00 H new ATOM 0 HD3 PRO E 38 118.897 -13.013 -8.736 1.00 0.00 H new ATOM 750 N SER E 39 123.013 -12.384 -10.519 1.00 0.00 N ATOM 751 CA SER E 39 124.238 -12.553 -11.305 1.00 0.00 C ATOM 752 C SER E 39 124.428 -11.358 -12.244 1.00 0.00 C ATOM 753 O SER E 39 125.551 -10.893 -12.454 1.00 0.00 O ATOM 754 CB SER E 39 124.157 -13.852 -12.117 1.00 0.00 C ATOM 755 OG SER E 39 125.315 -13.976 -12.936 1.00 0.00 O ATOM 0 H SER E 39 122.311 -13.108 -10.673 1.00 0.00 H new ATOM 0 HA SER E 39 125.091 -12.607 -10.629 1.00 0.00 H new ATOM 0 HB2 SER E 39 124.080 -14.708 -11.446 1.00 0.00 H new ATOM 0 HB3 SER E 39 123.260 -13.851 -12.736 1.00 0.00 H new ATOM 0 HG SER E 39 125.133 -13.594 -13.820 1.00 0.00 H new ATOM 761 N GLN E 40 123.313 -10.871 -12.798 1.00 0.00 N ATOM 762 CA GLN E 40 123.324 -9.727 -13.715 1.00 0.00 C ATOM 763 C GLN E 40 123.083 -8.415 -12.954 1.00 0.00 C ATOM 764 O GLN E 40 122.874 -7.369 -13.572 1.00 0.00 O ATOM 765 CB GLN E 40 122.226 -9.908 -14.782 1.00 0.00 C ATOM 766 CG GLN E 40 122.677 -10.910 -15.854 1.00 0.00 C ATOM 767 CD GLN E 40 122.842 -12.308 -15.259 1.00 0.00 C ATOM 768 OE1 GLN E 40 123.964 -12.745 -15.001 1.00 0.00 O ATOM 769 NE2 GLN E 40 121.787 -13.040 -15.027 1.00 0.00 N ATOM 0 H GLN E 40 122.384 -11.255 -12.625 1.00 0.00 H new ATOM 0 HA GLN E 40 124.302 -9.679 -14.194 1.00 0.00 H new ATOM 0 HB2 GLN E 40 121.308 -10.259 -14.311 1.00 0.00 H new ATOM 0 HB3 GLN E 40 122.000 -8.948 -15.246 1.00 0.00 H new ATOM 0 HG2 GLN E 40 121.946 -10.938 -16.662 1.00 0.00 H new ATOM 0 HG3 GLN E 40 123.621 -10.582 -16.290 1.00 0.00 H new ATOM 0 HE21 GLN E 40 120.858 -12.678 -15.241 1.00 0.00 H new ATOM 0 HE22 GLN E 40 121.892 -13.974 -14.632 1.00 0.00 H new ATOM 778 N SER E 41 123.097 -8.479 -11.611 1.00 0.00 N ATOM 779 CA SER E 41 122.854 -7.295 -10.770 1.00 0.00 C ATOM 780 C SER E 41 123.742 -6.110 -11.151 1.00 0.00 C ATOM 781 O SER E 41 123.268 -4.978 -11.161 1.00 0.00 O ATOM 782 CB SER E 41 123.082 -7.631 -9.296 1.00 0.00 C ATOM 783 OG SER E 41 122.723 -6.507 -8.506 1.00 0.00 O ATOM 0 H SER E 41 123.274 -9.336 -11.086 1.00 0.00 H new ATOM 0 HA SER E 41 121.816 -7.006 -10.937 1.00 0.00 H new ATOM 0 HB2 SER E 41 122.486 -8.498 -9.011 1.00 0.00 H new ATOM 0 HB3 SER E 41 124.126 -7.893 -9.126 1.00 0.00 H new ATOM 0 HG SER E 41 123.466 -5.868 -8.490 1.00 0.00 H new ATOM 789 N ALA E 42 125.015 -6.372 -11.457 1.00 0.00 N ATOM 790 CA ALA E 42 125.938 -5.297 -11.827 1.00 0.00 C ATOM 791 C ALA E 42 125.473 -4.605 -13.110 1.00 0.00 C ATOM 792 O ALA E 42 125.411 -3.373 -13.169 1.00 0.00 O ATOM 793 CB ALA E 42 127.349 -5.857 -12.020 1.00 0.00 C ATOM 0 H ALA E 42 125.426 -7.306 -11.456 1.00 0.00 H new ATOM 0 HA ALA E 42 125.952 -4.564 -11.021 1.00 0.00 H new ATOM 0 HB1 ALA E 42 128.027 -5.049 -12.295 1.00 0.00 H new ATOM 0 HB2 ALA E 42 127.689 -6.315 -11.091 1.00 0.00 H new ATOM 0 HB3 ALA E 42 127.338 -6.606 -12.812 1.00 0.00 H new ATOM 799 N ASN E 43 125.132 -5.404 -14.127 1.00 0.00 N ATOM 800 CA ASN E 43 124.657 -4.853 -15.397 1.00 0.00 C ATOM 801 C ASN E 43 123.321 -4.149 -15.203 1.00 0.00 C ATOM 802 O ASN E 43 123.125 -3.035 -15.691 1.00 0.00 O ATOM 803 CB ASN E 43 124.500 -5.969 -16.437 1.00 0.00 C ATOM 804 CG ASN E 43 125.866 -6.380 -16.973 1.00 0.00 C ATOM 805 OD1 ASN E 43 126.320 -7.500 -16.740 1.00 0.00 O ATOM 806 ND2 ASN E 43 126.549 -5.530 -17.686 1.00 0.00 N ATOM 0 H ASN E 43 125.176 -6.423 -14.095 1.00 0.00 H new ATOM 0 HA ASN E 43 125.393 -4.132 -15.753 1.00 0.00 H new ATOM 0 HB2 ASN E 43 124.003 -6.829 -15.987 1.00 0.00 H new ATOM 0 HB3 ASN E 43 123.867 -5.627 -17.256 1.00 0.00 H new ATOM 0 HD21 ASN E 43 127.464 -5.792 -18.054 1.00 0.00 H new ATOM 0 HD22 ASN E 43 126.169 -4.603 -17.877 1.00 0.00 H new ATOM 813 N LEU E 44 122.413 -4.813 -14.479 1.00 0.00 N ATOM 814 CA LEU E 44 121.086 -4.261 -14.207 1.00 0.00 C ATOM 815 C LEU E 44 121.201 -2.935 -13.461 1.00 0.00 C ATOM 816 O LEU E 44 120.434 -2.003 -13.718 1.00 0.00 O ATOM 817 CB LEU E 44 120.264 -5.257 -13.377 1.00 0.00 C ATOM 818 CG LEU E 44 119.974 -6.524 -14.205 1.00 0.00 C ATOM 819 CD1 LEU E 44 119.500 -7.651 -13.280 1.00 0.00 C ATOM 820 CD2 LEU E 44 118.883 -6.229 -15.247 1.00 0.00 C ATOM 0 H LEU E 44 122.575 -5.734 -14.072 1.00 0.00 H new ATOM 0 HA LEU E 44 120.582 -4.084 -15.157 1.00 0.00 H new ATOM 0 HB2 LEU E 44 120.808 -5.522 -12.470 1.00 0.00 H new ATOM 0 HB3 LEU E 44 119.327 -4.796 -13.064 1.00 0.00 H new ATOM 0 HG LEU E 44 120.888 -6.831 -14.714 1.00 0.00 H new ATOM 0 HD11 LEU E 44 119.296 -8.545 -13.870 1.00 0.00 H new ATOM 0 HD12 LEU E 44 120.276 -7.870 -12.546 1.00 0.00 H new ATOM 0 HD13 LEU E 44 118.591 -7.341 -12.765 1.00 0.00 H new ATOM 0 HD21 LEU E 44 118.683 -7.129 -15.829 1.00 0.00 H new ATOM 0 HD22 LEU E 44 117.971 -5.914 -14.740 1.00 0.00 H new ATOM 0 HD23 LEU E 44 119.221 -5.434 -15.912 1.00 0.00 H new ATOM 832 N LEU E 45 122.170 -2.856 -12.544 1.00 0.00 N ATOM 833 CA LEU E 45 122.381 -1.631 -11.778 1.00 0.00 C ATOM 834 C LEU E 45 122.807 -0.504 -12.710 1.00 0.00 C ATOM 835 O LEU E 45 122.397 0.640 -12.528 1.00 0.00 O ATOM 836 CB LEU E 45 123.458 -1.832 -10.694 1.00 0.00 C ATOM 837 CG LEU E 45 122.953 -1.332 -9.330 1.00 0.00 C ATOM 838 CD1 LEU E 45 124.113 -1.347 -8.329 1.00 0.00 C ATOM 839 CD2 LEU E 45 122.377 0.098 -9.463 1.00 0.00 C ATOM 0 H LEU E 45 122.811 -3.616 -12.318 1.00 0.00 H new ATOM 0 HA LEU E 45 121.441 -1.372 -11.290 1.00 0.00 H new ATOM 0 HB2 LEU E 45 123.721 -2.888 -10.626 1.00 0.00 H new ATOM 0 HB3 LEU E 45 124.365 -1.295 -10.971 1.00 0.00 H new ATOM 0 HG LEU E 45 122.159 -1.988 -8.974 1.00 0.00 H new ATOM 0 HD11 LEU E 45 123.762 -0.994 -7.360 1.00 0.00 H new ATOM 0 HD12 LEU E 45 124.494 -2.363 -8.228 1.00 0.00 H new ATOM 0 HD13 LEU E 45 124.910 -0.695 -8.686 1.00 0.00 H new ATOM 0 HD21 LEU E 45 122.023 0.440 -8.490 1.00 0.00 H new ATOM 0 HD22 LEU E 45 123.155 0.771 -9.823 1.00 0.00 H new ATOM 0 HD23 LEU E 45 121.547 0.092 -10.169 1.00 0.00 H new ATOM 851 N ALA E 46 123.622 -0.845 -13.716 1.00 0.00 N ATOM 852 CA ALA E 46 124.095 0.143 -14.691 1.00 0.00 C ATOM 853 C ALA E 46 122.901 0.836 -15.345 1.00 0.00 C ATOM 854 O ALA E 46 122.961 2.019 -15.686 1.00 0.00 O ATOM 855 CB ALA E 46 124.941 -0.551 -15.768 1.00 0.00 C ATOM 0 H ALA E 46 123.965 -1.792 -13.875 1.00 0.00 H new ATOM 0 HA ALA E 46 124.706 0.885 -14.178 1.00 0.00 H new ATOM 0 HB1 ALA E 46 125.289 0.188 -16.489 1.00 0.00 H new ATOM 0 HB2 ALA E 46 125.799 -1.035 -15.301 1.00 0.00 H new ATOM 0 HB3 ALA E 46 124.336 -1.300 -16.279 1.00 0.00 H new ATOM 861 N GLU E 47 121.821 0.072 -15.498 1.00 0.00 N ATOM 862 CA GLU E 47 120.585 0.573 -16.094 1.00 0.00 C ATOM 863 C GLU E 47 119.861 1.479 -15.119 1.00 0.00 C ATOM 864 O GLU E 47 119.309 2.505 -15.511 1.00 0.00 O ATOM 865 CB GLU E 47 119.648 -0.592 -16.431 1.00 0.00 C ATOM 866 CG GLU E 47 120.456 -1.763 -16.984 1.00 0.00 C ATOM 867 CD GLU E 47 119.541 -2.812 -17.632 1.00 0.00 C ATOM 868 OE1 GLU E 47 118.555 -3.188 -17.014 1.00 0.00 O ATOM 869 OE2 GLU E 47 119.850 -3.237 -18.734 1.00 0.00 O ATOM 0 H GLU E 47 121.778 -0.907 -15.214 1.00 0.00 H new ATOM 0 HA GLU E 47 120.849 1.122 -16.998 1.00 0.00 H new ATOM 0 HB2 GLU E 47 119.104 -0.903 -15.539 1.00 0.00 H new ATOM 0 HB3 GLU E 47 118.905 -0.273 -17.162 1.00 0.00 H new ATOM 0 HG2 GLU E 47 121.173 -1.398 -17.719 1.00 0.00 H new ATOM 0 HG3 GLU E 47 121.030 -2.224 -16.180 1.00 0.00 H new ATOM 876 N ALA E 48 119.856 1.082 -13.845 1.00 0.00 N ATOM 877 CA ALA E 48 119.179 1.863 -12.836 1.00 0.00 C ATOM 878 C ALA E 48 119.960 3.138 -12.578 1.00 0.00 C ATOM 879 O ALA E 48 119.381 4.183 -12.286 1.00 0.00 O ATOM 880 CB ALA E 48 118.988 1.069 -11.551 1.00 0.00 C ATOM 0 H ALA E 48 120.309 0.235 -13.501 1.00 0.00 H new ATOM 0 HA ALA E 48 118.185 2.120 -13.202 1.00 0.00 H new ATOM 0 HB1 ALA E 48 118.476 1.687 -10.814 1.00 0.00 H new ATOM 0 HB2 ALA E 48 118.391 0.181 -11.758 1.00 0.00 H new ATOM 0 HB3 ALA E 48 119.961 0.770 -11.160 1.00 0.00 H new ATOM 886 N LYS E 49 121.281 3.046 -12.730 1.00 0.00 N ATOM 887 CA LYS E 49 122.140 4.200 -12.567 1.00 0.00 C ATOM 888 C LYS E 49 121.925 5.106 -13.762 1.00 0.00 C ATOM 889 O LYS E 49 121.831 6.326 -13.629 1.00 0.00 O ATOM 890 CB LYS E 49 123.597 3.766 -12.447 1.00 0.00 C ATOM 891 CG LYS E 49 123.829 3.210 -11.043 1.00 0.00 C ATOM 892 CD LYS E 49 125.151 2.450 -11.016 1.00 0.00 C ATOM 893 CE LYS E 49 125.407 1.903 -9.625 1.00 0.00 C ATOM 894 NZ LYS E 49 126.736 1.225 -9.600 1.00 0.00 N ATOM 0 H LYS E 49 121.771 2.183 -12.965 1.00 0.00 H new ATOM 0 HA LYS E 49 121.895 4.738 -11.651 1.00 0.00 H new ATOM 0 HB2 LYS E 49 123.829 3.009 -13.196 1.00 0.00 H new ATOM 0 HB3 LYS E 49 124.260 4.611 -12.633 1.00 0.00 H new ATOM 0 HG2 LYS E 49 123.848 4.022 -10.316 1.00 0.00 H new ATOM 0 HG3 LYS E 49 123.010 2.549 -10.761 1.00 0.00 H new ATOM 0 HD2 LYS E 49 125.125 1.633 -11.738 1.00 0.00 H new ATOM 0 HD3 LYS E 49 125.966 3.111 -11.311 1.00 0.00 H new ATOM 0 HE2 LYS E 49 125.384 2.711 -8.894 1.00 0.00 H new ATOM 0 HE3 LYS E 49 124.622 1.200 -9.348 1.00 0.00 H new ATOM 0 HZ1 LYS E 49 127.123 1.256 -8.635 1.00 0.00 H new ATOM 0 HZ2 LYS E 49 126.626 0.235 -9.897 1.00 0.00 H new ATOM 0 HZ3 LYS E 49 127.386 1.711 -10.250 1.00 0.00 H new ATOM 908 N LYS E 50 121.771 4.471 -14.930 1.00 0.00 N ATOM 909 CA LYS E 50 121.468 5.197 -16.154 1.00 0.00 C ATOM 910 C LYS E 50 120.120 5.882 -15.952 1.00 0.00 C ATOM 911 O LYS E 50 119.891 6.981 -16.442 1.00 0.00 O ATOM 912 CB LYS E 50 121.438 4.230 -17.345 1.00 0.00 C ATOM 913 CG LYS E 50 121.087 4.972 -18.642 1.00 0.00 C ATOM 914 CD LYS E 50 120.967 3.974 -19.806 1.00 0.00 C ATOM 915 CE LYS E 50 122.327 3.321 -20.091 1.00 0.00 C ATOM 916 NZ LYS E 50 122.292 2.671 -21.433 1.00 0.00 N ATOM 0 H LYS E 50 121.852 3.461 -15.046 1.00 0.00 H new ATOM 0 HA LYS E 50 122.231 5.944 -16.371 1.00 0.00 H new ATOM 0 HB2 LYS E 50 122.408 3.745 -17.450 1.00 0.00 H new ATOM 0 HB3 LYS E 50 120.706 3.443 -17.162 1.00 0.00 H new ATOM 0 HG2 LYS E 50 120.149 5.513 -18.518 1.00 0.00 H new ATOM 0 HG3 LYS E 50 121.855 5.713 -18.866 1.00 0.00 H new ATOM 0 HD2 LYS E 50 120.232 3.207 -19.562 1.00 0.00 H new ATOM 0 HD3 LYS E 50 120.608 4.487 -20.698 1.00 0.00 H new ATOM 0 HE2 LYS E 50 123.117 4.071 -20.058 1.00 0.00 H new ATOM 0 HE3 LYS E 50 122.557 2.583 -19.323 1.00 0.00 H new ATOM 0 HZ1 LYS E 50 123.212 2.228 -21.628 1.00 0.00 H new ATOM 0 HZ2 LYS E 50 121.548 1.945 -21.448 1.00 0.00 H new ATOM 0 HZ3 LYS E 50 122.091 3.387 -22.160 1.00 0.00 H new ATOM 930 N LEU E 51 119.259 5.218 -15.162 1.00 0.00 N ATOM 931 CA LEU E 51 117.948 5.755 -14.802 1.00 0.00 C ATOM 932 C LEU E 51 118.153 6.907 -13.823 1.00 0.00 C ATOM 933 O LEU E 51 117.500 7.946 -13.927 1.00 0.00 O ATOM 934 CB LEU E 51 117.097 4.663 -14.130 1.00 0.00 C ATOM 935 CG LEU E 51 115.922 4.198 -15.006 1.00 0.00 C ATOM 936 CD1 LEU E 51 114.808 5.258 -15.000 1.00 0.00 C ATOM 937 CD2 LEU E 51 116.376 3.917 -16.453 1.00 0.00 C ATOM 0 H LEU E 51 119.456 4.301 -14.761 1.00 0.00 H new ATOM 0 HA LEU E 51 117.433 6.102 -15.698 1.00 0.00 H new ATOM 0 HB2 LEU E 51 117.731 3.807 -13.897 1.00 0.00 H new ATOM 0 HB3 LEU E 51 116.711 5.041 -13.183 1.00 0.00 H new ATOM 0 HG LEU E 51 115.538 3.268 -14.587 1.00 0.00 H new ATOM 0 HD11 LEU E 51 113.980 4.919 -15.623 1.00 0.00 H new ATOM 0 HD12 LEU E 51 114.456 5.410 -13.980 1.00 0.00 H new ATOM 0 HD13 LEU E 51 115.197 6.197 -15.393 1.00 0.00 H new ATOM 0 HD21 LEU E 51 115.521 3.590 -17.046 1.00 0.00 H new ATOM 0 HD22 LEU E 51 116.792 4.826 -16.887 1.00 0.00 H new ATOM 0 HD23 LEU E 51 117.136 3.136 -16.451 1.00 0.00 H new ATOM 949 N ASN E 52 119.100 6.710 -12.883 1.00 0.00 N ATOM 950 CA ASN E 52 119.439 7.737 -11.896 1.00 0.00 C ATOM 951 C ASN E 52 119.842 9.001 -12.655 1.00 0.00 C ATOM 952 O ASN E 52 119.494 10.122 -12.270 1.00 0.00 O ATOM 953 CB ASN E 52 120.592 7.249 -10.974 1.00 0.00 C ATOM 954 CG ASN E 52 120.753 8.196 -9.781 1.00 0.00 C ATOM 955 OD1 ASN E 52 119.766 8.601 -9.165 1.00 0.00 O ATOM 956 ND2 ASN E 52 121.946 8.573 -9.418 1.00 0.00 N ATOM 0 H ASN E 52 119.639 5.848 -12.793 1.00 0.00 H new ATOM 0 HA ASN E 52 118.582 7.946 -11.256 1.00 0.00 H new ATOM 0 HB2 ASN E 52 120.382 6.240 -10.620 1.00 0.00 H new ATOM 0 HB3 ASN E 52 121.523 7.202 -11.538 1.00 0.00 H new ATOM 0 HD21 ASN E 52 122.062 9.203 -8.624 1.00 0.00 H new ATOM 0 HD22 ASN E 52 122.764 8.238 -9.927 1.00 0.00 H new ATOM 963 N ASP E 53 120.543 8.773 -13.772 1.00 0.00 N ATOM 964 CA ASP E 53 120.980 9.842 -14.671 1.00 0.00 C ATOM 965 C ASP E 53 119.821 10.291 -15.578 1.00 0.00 C ATOM 966 O ASP E 53 119.716 11.469 -15.926 1.00 0.00 O ATOM 967 CB ASP E 53 122.143 9.334 -15.543 1.00 0.00 C ATOM 968 CG ASP E 53 123.377 9.007 -14.687 1.00 0.00 C ATOM 969 OD1 ASP E 53 123.754 9.834 -13.868 1.00 0.00 O ATOM 970 OD2 ASP E 53 123.931 7.935 -14.869 1.00 0.00 O ATOM 0 H ASP E 53 120.822 7.840 -14.076 1.00 0.00 H new ATOM 0 HA ASP E 53 121.308 10.692 -14.072 1.00 0.00 H new ATOM 0 HB2 ASP E 53 121.830 8.444 -16.089 1.00 0.00 H new ATOM 0 HB3 ASP E 53 122.402 10.089 -16.285 1.00 0.00 H new ATOM 975 N ALA E 54 118.976 9.328 -15.971 1.00 0.00 N ATOM 976 CA ALA E 54 117.834 9.592 -16.857 1.00 0.00 C ATOM 977 C ALA E 54 116.803 10.492 -16.191 1.00 0.00 C ATOM 978 O ALA E 54 116.164 11.313 -16.857 1.00 0.00 O ATOM 979 CB ALA E 54 117.158 8.270 -17.264 1.00 0.00 C ATOM 0 H ALA E 54 119.063 8.352 -15.687 1.00 0.00 H new ATOM 0 HA ALA E 54 118.220 10.101 -17.740 1.00 0.00 H new ATOM 0 HB1 ALA E 54 116.314 8.480 -17.920 1.00 0.00 H new ATOM 0 HB2 ALA E 54 117.877 7.640 -17.788 1.00 0.00 H new ATOM 0 HB3 ALA E 54 116.804 7.753 -16.372 1.00 0.00 H new ATOM 985 N GLN E 55 116.660 10.336 -14.882 1.00 0.00 N ATOM 986 CA GLN E 55 115.719 11.133 -14.113 1.00 0.00 C ATOM 987 C GLN E 55 116.442 12.384 -13.644 1.00 0.00 C ATOM 988 O GLN E 55 116.208 13.480 -14.158 1.00 0.00 O ATOM 989 CB GLN E 55 115.204 10.319 -12.918 1.00 0.00 C ATOM 990 CG GLN E 55 114.343 9.143 -13.411 1.00 0.00 C ATOM 991 CD GLN E 55 112.885 9.572 -13.557 1.00 0.00 C ATOM 992 OE1 GLN E 55 112.573 10.476 -14.331 1.00 0.00 O ATOM 993 NE2 GLN E 55 111.969 8.972 -12.850 1.00 0.00 N ATOM 0 H GLN E 55 117.188 9.660 -14.329 1.00 0.00 H new ATOM 0 HA GLN E 55 114.859 11.412 -14.722 1.00 0.00 H new ATOM 0 HB2 GLN E 55 116.045 9.945 -12.334 1.00 0.00 H new ATOM 0 HB3 GLN E 55 114.617 10.958 -12.258 1.00 0.00 H new ATOM 0 HG2 GLN E 55 114.720 8.785 -14.369 1.00 0.00 H new ATOM 0 HG3 GLN E 55 114.415 8.312 -12.709 1.00 0.00 H new ATOM 0 HE21 GLN E 55 112.229 8.223 -12.209 1.00 0.00 H new ATOM 0 HE22 GLN E 55 110.992 9.252 -12.938 1.00 0.00 H new ATOM 1002 N ALA E 56 117.372 12.167 -12.713 1.00 0.00 N ATOM 1003 CA ALA E 56 118.225 13.211 -12.166 1.00 0.00 C ATOM 1004 C ALA E 56 117.457 14.449 -11.653 1.00 0.00 C ATOM 1005 O ALA E 56 116.257 14.609 -11.887 1.00 0.00 O ATOM 1006 CB ALA E 56 119.262 13.581 -13.222 1.00 0.00 C ATOM 0 H ALA E 56 117.553 11.245 -12.315 1.00 0.00 H new ATOM 0 HA ALA E 56 118.714 12.816 -11.275 1.00 0.00 H new ATOM 0 HB1 ALA E 56 119.914 14.363 -12.833 1.00 0.00 H new ATOM 0 HB2 ALA E 56 119.858 12.703 -13.470 1.00 0.00 H new ATOM 0 HB3 ALA E 56 118.756 13.942 -14.118 1.00 0.00 H new ATOM 1013 N GLY F 14 120.067 10.752 9.179 1.00 0.00 N ATOM 1014 CA GLY F 14 119.061 10.131 10.048 1.00 0.00 C ATOM 1015 C GLY F 14 119.299 8.635 10.188 1.00 0.00 C ATOM 1016 O GLY F 14 120.341 8.114 9.777 1.00 0.00 O ATOM 0 HA2 GLY F 14 119.088 10.599 11.032 1.00 0.00 H new ATOM 0 HA3 GLY F 14 118.066 10.306 9.639 1.00 0.00 H new ATOM 1020 N GLU F 15 118.316 7.953 10.775 1.00 0.00 N ATOM 1021 CA GLU F 15 118.399 6.517 10.978 1.00 0.00 C ATOM 1022 C GLU F 15 118.297 5.794 9.649 1.00 0.00 C ATOM 1023 O GLU F 15 117.596 6.241 8.741 1.00 0.00 O ATOM 1024 CB GLU F 15 117.261 6.037 11.877 1.00 0.00 C ATOM 1025 CG GLU F 15 117.532 4.587 12.310 1.00 0.00 C ATOM 1026 CD GLU F 15 116.389 4.009 13.168 1.00 0.00 C ATOM 1027 OE1 GLU F 15 115.581 4.774 13.681 1.00 0.00 O ATOM 1028 OE2 GLU F 15 116.350 2.795 13.309 1.00 0.00 O ATOM 0 H GLU F 15 117.454 8.378 11.117 1.00 0.00 H new ATOM 0 HA GLU F 15 119.357 6.299 11.449 1.00 0.00 H new ATOM 0 HB2 GLU F 15 117.178 6.681 12.753 1.00 0.00 H new ATOM 0 HB3 GLU F 15 116.312 6.098 11.345 1.00 0.00 H new ATOM 0 HG2 GLU F 15 117.669 3.966 11.425 1.00 0.00 H new ATOM 0 HG3 GLU F 15 118.463 4.547 12.875 1.00 0.00 H new ATOM 1035 N ILE F 16 118.984 4.668 9.559 1.00 0.00 N ATOM 1036 CA ILE F 16 118.967 3.858 8.352 1.00 0.00 C ATOM 1037 C ILE F 16 118.339 2.495 8.642 1.00 0.00 C ATOM 1038 O ILE F 16 118.535 1.921 9.717 1.00 0.00 O ATOM 1039 CB ILE F 16 120.388 3.687 7.824 1.00 0.00 C ATOM 1040 CG1 ILE F 16 120.969 5.060 7.429 1.00 0.00 C ATOM 1041 CG2 ILE F 16 120.365 2.758 6.603 1.00 0.00 C ATOM 1042 CD1 ILE F 16 122.435 4.912 7.002 1.00 0.00 C ATOM 0 H ILE F 16 119.563 4.292 10.310 1.00 0.00 H new ATOM 0 HA ILE F 16 118.368 4.361 7.593 1.00 0.00 H new ATOM 0 HB ILE F 16 121.015 3.250 8.601 1.00 0.00 H new ATOM 0 HG12 ILE F 16 120.387 5.488 6.613 1.00 0.00 H new ATOM 0 HG13 ILE F 16 120.895 5.750 8.270 1.00 0.00 H new ATOM 0 HG21 ILE F 16 121.379 2.633 6.222 1.00 0.00 H new ATOM 0 HG22 ILE F 16 119.963 1.787 6.892 1.00 0.00 H new ATOM 0 HG23 ILE F 16 119.737 3.194 5.826 1.00 0.00 H new ATOM 0 HD11 ILE F 16 122.834 5.888 6.726 1.00 0.00 H new ATOM 0 HD12 ILE F 16 123.016 4.504 7.829 1.00 0.00 H new ATOM 0 HD13 ILE F 16 122.499 4.239 6.147 1.00 0.00 H new ATOM 1054 N VAL F 17 117.574 2.004 7.667 1.00 0.00 N ATOM 1055 CA VAL F 17 116.882 0.721 7.780 1.00 0.00 C ATOM 1056 C VAL F 17 117.224 -0.170 6.586 1.00 0.00 C ATOM 1057 O VAL F 17 116.935 0.187 5.444 1.00 0.00 O ATOM 1058 CB VAL F 17 115.374 1.011 7.828 1.00 0.00 C ATOM 1059 CG1 VAL F 17 114.546 -0.236 7.472 1.00 0.00 C ATOM 1060 CG2 VAL F 17 114.999 1.493 9.238 1.00 0.00 C ATOM 0 H VAL F 17 117.417 2.483 6.780 1.00 0.00 H new ATOM 0 HA VAL F 17 117.192 0.194 8.682 1.00 0.00 H new ATOM 0 HB VAL F 17 115.150 1.782 7.091 1.00 0.00 H new ATOM 0 HG11 VAL F 17 113.484 0.007 7.516 1.00 0.00 H new ATOM 0 HG12 VAL F 17 114.801 -0.567 6.465 1.00 0.00 H new ATOM 0 HG13 VAL F 17 114.766 -1.033 8.182 1.00 0.00 H new ATOM 0 HG21 VAL F 17 113.930 1.701 9.279 1.00 0.00 H new ATOM 0 HG22 VAL F 17 115.247 0.719 9.965 1.00 0.00 H new ATOM 0 HG23 VAL F 17 115.554 2.401 9.472 1.00 0.00 H new ATOM 1070 N TYR F 18 117.827 -1.331 6.869 1.00 0.00 N ATOM 1071 CA TYR F 18 118.210 -2.288 5.824 1.00 0.00 C ATOM 1072 C TYR F 18 117.148 -3.368 5.669 1.00 0.00 C ATOM 1073 O TYR F 18 116.623 -3.881 6.661 1.00 0.00 O ATOM 1074 CB TYR F 18 119.572 -2.932 6.179 1.00 0.00 C ATOM 1075 CG TYR F 18 120.705 -2.141 5.548 1.00 0.00 C ATOM 1076 CD1 TYR F 18 120.706 -0.743 5.618 1.00 0.00 C ATOM 1077 CD2 TYR F 18 121.742 -2.803 4.873 1.00 0.00 C ATOM 1078 CE1 TYR F 18 121.729 -0.011 5.019 1.00 0.00 C ATOM 1079 CE2 TYR F 18 122.768 -2.064 4.274 1.00 0.00 C ATOM 1080 CZ TYR F 18 122.760 -0.669 4.344 1.00 0.00 C ATOM 1081 OH TYR F 18 123.772 0.059 3.750 1.00 0.00 O ATOM 0 H TYR F 18 118.061 -1.631 7.816 1.00 0.00 H new ATOM 0 HA TYR F 18 118.298 -1.754 4.878 1.00 0.00 H new ATOM 0 HB2 TYR F 18 119.698 -2.962 7.261 1.00 0.00 H new ATOM 0 HB3 TYR F 18 119.598 -3.963 5.827 1.00 0.00 H new ATOM 0 HD1 TYR F 18 119.911 -0.230 6.138 1.00 0.00 H new ATOM 0 HD2 TYR F 18 121.748 -3.881 4.816 1.00 0.00 H new ATOM 0 HE1 TYR F 18 121.725 1.067 5.077 1.00 0.00 H new ATOM 0 HE2 TYR F 18 123.568 -2.573 3.757 1.00 0.00 H new ATOM 0 HH TYR F 18 123.433 0.487 2.937 1.00 0.00 H new ATOM 1091 N LEU F 19 116.839 -3.704 4.405 1.00 0.00 N ATOM 1092 CA LEU F 19 115.828 -4.730 4.103 1.00 0.00 C ATOM 1093 C LEU F 19 116.461 -5.925 3.349 1.00 0.00 C ATOM 1094 O LEU F 19 116.208 -6.116 2.154 1.00 0.00 O ATOM 1095 CB LEU F 19 114.683 -4.129 3.240 1.00 0.00 C ATOM 1096 CG LEU F 19 113.883 -3.008 3.964 1.00 0.00 C ATOM 1097 CD1 LEU F 19 113.609 -3.346 5.441 1.00 0.00 C ATOM 1098 CD2 LEU F 19 114.627 -1.667 3.866 1.00 0.00 C ATOM 0 H LEU F 19 117.271 -3.284 3.582 1.00 0.00 H new ATOM 0 HA LEU F 19 115.421 -5.083 5.051 1.00 0.00 H new ATOM 0 HB2 LEU F 19 115.106 -3.726 2.320 1.00 0.00 H new ATOM 0 HB3 LEU F 19 113.997 -4.927 2.954 1.00 0.00 H new ATOM 0 HG LEU F 19 112.920 -2.929 3.459 1.00 0.00 H new ATOM 0 HD11 LEU F 19 113.048 -2.533 5.902 1.00 0.00 H new ATOM 0 HD12 LEU F 19 113.029 -4.267 5.502 1.00 0.00 H new ATOM 0 HD13 LEU F 19 114.555 -3.477 5.966 1.00 0.00 H new ATOM 0 HD21 LEU F 19 114.053 -0.894 4.378 1.00 0.00 H new ATOM 0 HD22 LEU F 19 115.608 -1.760 4.333 1.00 0.00 H new ATOM 0 HD23 LEU F 19 114.749 -1.394 2.818 1.00 0.00 H new ATOM 1110 N PRO F 20 117.271 -6.735 4.020 1.00 0.00 N ATOM 1111 CA PRO F 20 117.927 -7.927 3.393 1.00 0.00 C ATOM 1112 C PRO F 20 117.003 -9.149 3.313 1.00 0.00 C ATOM 1113 O PRO F 20 116.822 -9.726 2.238 1.00 0.00 O ATOM 1114 CB PRO F 20 119.112 -8.202 4.321 1.00 0.00 C ATOM 1115 CG PRO F 20 118.669 -7.738 5.669 1.00 0.00 C ATOM 1116 CD PRO F 20 117.662 -6.604 5.440 1.00 0.00 C ATOM 0 HA PRO F 20 118.210 -7.735 2.358 1.00 0.00 H new ATOM 0 HB2 PRO F 20 119.365 -9.262 4.333 1.00 0.00 H new ATOM 0 HB3 PRO F 20 120.002 -7.665 3.993 1.00 0.00 H new ATOM 0 HG2 PRO F 20 118.211 -8.554 6.227 1.00 0.00 H new ATOM 0 HG3 PRO F 20 119.518 -7.388 6.255 1.00 0.00 H new ATOM 0 HD2 PRO F 20 116.799 -6.700 6.099 1.00 0.00 H new ATOM 0 HD3 PRO F 20 118.109 -5.630 5.640 1.00 0.00 H new ATOM 1124 N ASN F 21 116.441 -9.545 4.464 1.00 0.00 N ATOM 1125 CA ASN F 21 115.552 -10.718 4.534 1.00 0.00 C ATOM 1126 C ASN F 21 114.106 -10.370 4.155 1.00 0.00 C ATOM 1127 O ASN F 21 113.206 -11.206 4.284 1.00 0.00 O ATOM 1128 CB ASN F 21 115.580 -11.302 5.957 1.00 0.00 C ATOM 1129 CG ASN F 21 116.993 -11.756 6.339 1.00 0.00 C ATOM 1130 OD1 ASN F 21 117.781 -12.159 5.482 1.00 0.00 O ATOM 1131 ND2 ASN F 21 117.359 -11.718 7.591 1.00 0.00 N ATOM 0 H ASN F 21 116.584 -9.074 5.357 1.00 0.00 H new ATOM 0 HA ASN F 21 115.918 -11.451 3.815 1.00 0.00 H new ATOM 0 HB2 ASN F 21 115.231 -10.553 6.668 1.00 0.00 H new ATOM 0 HB3 ASN F 21 114.894 -12.146 6.021 1.00 0.00 H new ATOM 0 HD21 ASN F 21 118.295 -12.021 7.858 1.00 0.00 H new ATOM 0 HD22 ASN F 21 116.709 -11.385 8.303 1.00 0.00 H new ATOM 1138 N LEU F 22 113.890 -9.139 3.690 1.00 0.00 N ATOM 1139 CA LEU F 22 112.554 -8.680 3.296 1.00 0.00 C ATOM 1140 C LEU F 22 112.181 -9.234 1.918 1.00 0.00 C ATOM 1141 O LEU F 22 113.056 -9.416 1.064 1.00 0.00 O ATOM 1142 CB LEU F 22 112.545 -7.149 3.251 1.00 0.00 C ATOM 1143 CG LEU F 22 111.141 -6.602 3.576 1.00 0.00 C ATOM 1144 CD1 LEU F 22 111.103 -6.128 5.036 1.00 0.00 C ATOM 1145 CD2 LEU F 22 110.824 -5.433 2.629 1.00 0.00 C ATOM 0 H LEU F 22 114.623 -8.439 3.576 1.00 0.00 H new ATOM 0 HA LEU F 22 111.825 -9.038 4.024 1.00 0.00 H new ATOM 0 HB2 LEU F 22 113.268 -6.755 3.965 1.00 0.00 H new ATOM 0 HB3 LEU F 22 112.854 -6.808 2.263 1.00 0.00 H new ATOM 0 HG LEU F 22 110.395 -7.385 3.440 1.00 0.00 H new ATOM 0 HD11 LEU F 22 110.111 -5.741 5.267 1.00 0.00 H new ATOM 0 HD12 LEU F 22 111.329 -6.965 5.696 1.00 0.00 H new ATOM 0 HD13 LEU F 22 111.843 -5.341 5.182 1.00 0.00 H new ATOM 0 HD21 LEU F 22 109.832 -5.041 2.854 1.00 0.00 H new ATOM 0 HD22 LEU F 22 111.564 -4.644 2.764 1.00 0.00 H new ATOM 0 HD23 LEU F 22 110.851 -5.783 1.597 1.00 0.00 H new ATOM 1157 N ASN F 23 110.882 -9.485 1.692 1.00 0.00 N ATOM 1158 CA ASN F 23 110.427 -10.001 0.400 1.00 0.00 C ATOM 1159 C ASN F 23 110.424 -8.863 -0.629 1.00 0.00 C ATOM 1160 O ASN F 23 110.065 -7.736 -0.286 1.00 0.00 O ATOM 1161 CB ASN F 23 109.014 -10.590 0.528 1.00 0.00 C ATOM 1162 CG ASN F 23 109.066 -11.939 1.242 1.00 0.00 C ATOM 1163 OD1 ASN F 23 109.596 -12.909 0.702 1.00 0.00 O ATOM 1164 ND2 ASN F 23 108.542 -12.060 2.431 1.00 0.00 N ATOM 0 H ASN F 23 110.141 -9.340 2.378 1.00 0.00 H new ATOM 0 HA ASN F 23 111.105 -10.789 0.072 1.00 0.00 H new ATOM 0 HB2 ASN F 23 108.374 -9.902 1.081 1.00 0.00 H new ATOM 0 HB3 ASN F 23 108.572 -10.711 -0.461 1.00 0.00 H new ATOM 0 HD21 ASN F 23 108.572 -12.959 2.912 1.00 0.00 H new ATOM 0 HD22 ASN F 23 108.103 -11.256 2.879 1.00 0.00 H new ATOM 1171 N PRO F 24 110.812 -9.114 -1.869 1.00 0.00 N ATOM 1172 CA PRO F 24 110.833 -8.048 -2.917 1.00 0.00 C ATOM 1173 C PRO F 24 109.474 -7.365 -3.049 1.00 0.00 C ATOM 1174 O PRO F 24 109.401 -6.142 -3.205 1.00 0.00 O ATOM 1175 CB PRO F 24 111.216 -8.784 -4.208 1.00 0.00 C ATOM 1176 CG PRO F 24 111.873 -10.050 -3.766 1.00 0.00 C ATOM 1177 CD PRO F 24 111.272 -10.411 -2.407 1.00 0.00 C ATOM 0 HA PRO F 24 111.534 -7.250 -2.674 1.00 0.00 H new ATOM 0 HB2 PRO F 24 110.336 -8.991 -4.818 1.00 0.00 H new ATOM 0 HB3 PRO F 24 111.892 -8.183 -4.817 1.00 0.00 H new ATOM 0 HG2 PRO F 24 111.700 -10.847 -4.489 1.00 0.00 H new ATOM 0 HG3 PRO F 24 112.952 -9.918 -3.688 1.00 0.00 H new ATOM 0 HD2 PRO F 24 110.448 -11.117 -2.509 1.00 0.00 H new ATOM 0 HD3 PRO F 24 112.011 -10.876 -1.754 1.00 0.00 H new ATOM 1185 N ASP F 25 108.399 -8.161 -2.950 1.00 0.00 N ATOM 1186 CA ASP F 25 107.036 -7.620 -3.022 1.00 0.00 C ATOM 1187 C ASP F 25 106.816 -6.667 -1.847 1.00 0.00 C ATOM 1188 O ASP F 25 106.235 -5.587 -2.003 1.00 0.00 O ATOM 1189 CB ASP F 25 106.007 -8.760 -2.972 1.00 0.00 C ATOM 1190 CG ASP F 25 106.174 -9.683 -4.183 1.00 0.00 C ATOM 1191 OD1 ASP F 25 105.937 -9.227 -5.291 1.00 0.00 O ATOM 1192 OD2 ASP F 25 106.539 -10.833 -3.986 1.00 0.00 O ATOM 0 H ASP F 25 108.447 -9.172 -2.821 1.00 0.00 H new ATOM 0 HA ASP F 25 106.909 -7.082 -3.961 1.00 0.00 H new ATOM 0 HB2 ASP F 25 106.131 -9.331 -2.052 1.00 0.00 H new ATOM 0 HB3 ASP F 25 104.998 -8.348 -2.957 1.00 0.00 H new ATOM 1197 N GLN F 26 107.331 -7.073 -0.680 1.00 0.00 N ATOM 1198 CA GLN F 26 107.245 -6.263 0.520 1.00 0.00 C ATOM 1199 C GLN F 26 108.033 -4.967 0.304 1.00 0.00 C ATOM 1200 O GLN F 26 107.625 -3.896 0.757 1.00 0.00 O ATOM 1201 CB GLN F 26 107.809 -7.050 1.709 1.00 0.00 C ATOM 1202 CG GLN F 26 107.409 -6.378 3.022 1.00 0.00 C ATOM 1203 CD GLN F 26 105.915 -6.571 3.280 1.00 0.00 C ATOM 1204 OE1 GLN F 26 105.457 -7.698 3.471 1.00 0.00 O ATOM 1205 NE2 GLN F 26 105.123 -5.534 3.298 1.00 0.00 N ATOM 0 H GLN F 26 107.812 -7.963 -0.551 1.00 0.00 H new ATOM 0 HA GLN F 26 106.206 -6.014 0.733 1.00 0.00 H new ATOM 0 HB2 GLN F 26 107.436 -8.074 1.687 1.00 0.00 H new ATOM 0 HB3 GLN F 26 108.895 -7.105 1.636 1.00 0.00 H new ATOM 0 HG2 GLN F 26 107.985 -6.800 3.845 1.00 0.00 H new ATOM 0 HG3 GLN F 26 107.644 -5.314 2.981 1.00 0.00 H new ATOM 0 HE21 GLN F 26 105.502 -4.600 3.140 1.00 0.00 H new ATOM 0 HE22 GLN F 26 104.125 -5.657 3.470 1.00 0.00 H new ATOM 1214 N LEU F 27 109.159 -5.087 -0.417 1.00 0.00 N ATOM 1215 CA LEU F 27 110.012 -3.938 -0.730 1.00 0.00 C ATOM 1216 C LEU F 27 109.260 -2.953 -1.628 1.00 0.00 C ATOM 1217 O LEU F 27 109.313 -1.743 -1.414 1.00 0.00 O ATOM 1218 CB LEU F 27 111.293 -4.411 -1.450 1.00 0.00 C ATOM 1219 CG LEU F 27 112.539 -4.089 -0.607 1.00 0.00 C ATOM 1220 CD1 LEU F 27 113.730 -4.922 -1.106 1.00 0.00 C ATOM 1221 CD2 LEU F 27 112.875 -2.593 -0.718 1.00 0.00 C ATOM 0 H LEU F 27 109.497 -5.973 -0.793 1.00 0.00 H new ATOM 0 HA LEU F 27 110.283 -3.442 0.202 1.00 0.00 H new ATOM 0 HB2 LEU F 27 111.239 -5.484 -1.633 1.00 0.00 H new ATOM 0 HB3 LEU F 27 111.370 -3.925 -2.423 1.00 0.00 H new ATOM 0 HG LEU F 27 112.336 -4.334 0.436 1.00 0.00 H new ATOM 0 HD11 LEU F 27 114.611 -4.692 -0.507 1.00 0.00 H new ATOM 0 HD12 LEU F 27 113.496 -5.983 -1.015 1.00 0.00 H new ATOM 0 HD13 LEU F 27 113.929 -4.683 -2.151 1.00 0.00 H new ATOM 0 HD21 LEU F 27 113.758 -2.373 -0.118 1.00 0.00 H new ATOM 0 HD22 LEU F 27 113.072 -2.341 -1.760 1.00 0.00 H new ATOM 0 HD23 LEU F 27 112.034 -2.003 -0.354 1.00 0.00 H new ATOM 1233 N CYS F 28 108.558 -3.487 -2.633 1.00 0.00 N ATOM 1234 CA CYS F 28 107.790 -2.646 -3.556 1.00 0.00 C ATOM 1235 C CYS F 28 106.710 -1.886 -2.791 1.00 0.00 C ATOM 1236 O CYS F 28 106.554 -0.672 -2.961 1.00 0.00 O ATOM 1237 CB CYS F 28 107.157 -3.509 -4.655 1.00 0.00 C ATOM 1238 SG CYS F 28 106.422 -2.440 -5.919 1.00 0.00 S ATOM 0 H CYS F 28 108.506 -4.487 -2.827 1.00 0.00 H new ATOM 0 HA CYS F 28 108.462 -1.926 -4.023 1.00 0.00 H new ATOM 0 HB2 CYS F 28 107.912 -4.155 -5.104 1.00 0.00 H new ATOM 0 HB3 CYS F 28 106.395 -4.160 -4.227 1.00 0.00 H new ATOM 1243 N ALA F 29 105.991 -2.609 -1.929 1.00 0.00 N ATOM 1244 CA ALA F 29 104.945 -1.999 -1.109 1.00 0.00 C ATOM 1245 C ALA F 29 105.569 -0.975 -0.159 1.00 0.00 C ATOM 1246 O ALA F 29 104.984 0.079 0.105 1.00 0.00 O ATOM 1247 CB ALA F 29 104.216 -3.079 -0.301 1.00 0.00 C ATOM 0 H ALA F 29 106.114 -3.611 -1.782 1.00 0.00 H new ATOM 0 HA ALA F 29 104.228 -1.498 -1.759 1.00 0.00 H new ATOM 0 HB1 ALA F 29 103.439 -2.616 0.307 1.00 0.00 H new ATOM 0 HB2 ALA F 29 103.763 -3.799 -0.982 1.00 0.00 H new ATOM 0 HB3 ALA F 29 104.927 -3.590 0.348 1.00 0.00 H new ATOM 1253 N PHE F 30 106.767 -1.302 0.339 1.00 0.00 N ATOM 1254 CA PHE F 30 107.496 -0.425 1.256 1.00 0.00 C ATOM 1255 C PHE F 30 107.816 0.913 0.585 1.00 0.00 C ATOM 1256 O PHE F 30 107.504 1.972 1.131 1.00 0.00 O ATOM 1257 CB PHE F 30 108.796 -1.125 1.707 1.00 0.00 C ATOM 1258 CG PHE F 30 109.669 -0.185 2.520 1.00 0.00 C ATOM 1259 CD1 PHE F 30 109.154 0.430 3.669 1.00 0.00 C ATOM 1260 CD2 PHE F 30 110.998 0.074 2.123 1.00 0.00 C ATOM 1261 CE1 PHE F 30 109.952 1.295 4.419 1.00 0.00 C ATOM 1262 CE2 PHE F 30 111.791 0.942 2.879 1.00 0.00 C ATOM 1263 CZ PHE F 30 111.267 1.551 4.026 1.00 0.00 C ATOM 0 H PHE F 30 107.252 -2.172 0.120 1.00 0.00 H new ATOM 0 HA PHE F 30 106.873 -0.224 2.127 1.00 0.00 H new ATOM 0 HB2 PHE F 30 108.551 -2.005 2.302 1.00 0.00 H new ATOM 0 HB3 PHE F 30 109.347 -1.474 0.833 1.00 0.00 H new ATOM 0 HD1 PHE F 30 108.137 0.234 3.975 1.00 0.00 H new ATOM 0 HD2 PHE F 30 111.401 -0.397 1.238 1.00 0.00 H new ATOM 0 HE1 PHE F 30 109.552 1.767 5.304 1.00 0.00 H new ATOM 0 HE2 PHE F 30 112.809 1.143 2.578 1.00 0.00 H new ATOM 0 HZ PHE F 30 111.882 2.221 4.608 1.00 0.00 H new ATOM 1273 N ILE F 31 108.436 0.851 -0.597 1.00 0.00 N ATOM 1274 CA ILE F 31 108.801 2.067 -1.331 1.00 0.00 C ATOM 1275 C ILE F 31 107.567 2.916 -1.634 1.00 0.00 C ATOM 1276 O ILE F 31 107.610 4.144 -1.505 1.00 0.00 O ATOM 1277 CB ILE F 31 109.562 1.701 -2.617 1.00 0.00 C ATOM 1278 CG1 ILE F 31 110.868 0.990 -2.221 1.00 0.00 C ATOM 1279 CG2 ILE F 31 109.901 2.971 -3.419 1.00 0.00 C ATOM 1280 CD1 ILE F 31 111.598 0.468 -3.459 1.00 0.00 C ATOM 0 H ILE F 31 108.694 -0.019 -1.063 1.00 0.00 H new ATOM 0 HA ILE F 31 109.460 2.668 -0.704 1.00 0.00 H new ATOM 0 HB ILE F 31 108.942 1.052 -3.235 1.00 0.00 H new ATOM 0 HG12 ILE F 31 111.513 1.680 -1.677 1.00 0.00 H new ATOM 0 HG13 ILE F 31 110.647 0.162 -1.547 1.00 0.00 H new ATOM 0 HG21 ILE F 31 110.439 2.696 -4.326 1.00 0.00 H new ATOM 0 HG22 ILE F 31 108.980 3.489 -3.687 1.00 0.00 H new ATOM 0 HG23 ILE F 31 110.524 3.629 -2.813 1.00 0.00 H new ATOM 0 HD11 ILE F 31 112.518 -0.031 -3.155 1.00 0.00 H new ATOM 0 HD12 ILE F 31 110.959 -0.240 -3.987 1.00 0.00 H new ATOM 0 HD13 ILE F 31 111.838 1.302 -4.119 1.00 0.00 H new ATOM 1292 N HIS F 32 106.464 2.257 -2.005 1.00 0.00 N ATOM 1293 CA HIS F 32 105.215 2.972 -2.284 1.00 0.00 C ATOM 1294 C HIS F 32 104.735 3.692 -1.022 1.00 0.00 C ATOM 1295 O HIS F 32 104.247 4.822 -1.091 1.00 0.00 O ATOM 1296 CB HIS F 32 104.133 1.997 -2.780 1.00 0.00 C ATOM 1297 CG HIS F 32 104.303 1.753 -4.259 1.00 0.00 C ATOM 1298 ND1 HIS F 32 105.115 0.747 -4.758 1.00 0.00 N ATOM 1299 CD2 HIS F 32 103.768 2.381 -5.357 1.00 0.00 C ATOM 1300 CE1 HIS F 32 105.045 0.799 -6.101 1.00 0.00 C ATOM 1301 NE2 HIS F 32 104.239 1.777 -6.519 1.00 0.00 N ATOM 0 H HIS F 32 106.410 1.245 -2.118 1.00 0.00 H new ATOM 0 HA HIS F 32 105.401 3.707 -3.067 1.00 0.00 H new ATOM 0 HB2 HIS F 32 104.203 1.055 -2.236 1.00 0.00 H new ATOM 0 HB3 HIS F 32 103.143 2.407 -2.581 1.00 0.00 H new ATOM 0 HD1 HIS F 32 105.665 0.088 -4.208 1.00 0.00 H new ATOM 0 HD2 HIS F 32 103.085 3.217 -5.324 1.00 0.00 H new ATOM 0 HE1 HIS F 32 105.577 0.130 -6.761 1.00 0.00 H new ATOM 1310 N SER F 33 104.891 3.026 0.129 1.00 0.00 N ATOM 1311 CA SER F 33 104.485 3.607 1.409 1.00 0.00 C ATOM 1312 C SER F 33 105.327 4.847 1.736 1.00 0.00 C ATOM 1313 O SER F 33 104.794 5.845 2.230 1.00 0.00 O ATOM 1314 CB SER F 33 104.617 2.569 2.529 1.00 0.00 C ATOM 1315 OG SER F 33 103.890 1.398 2.177 1.00 0.00 O ATOM 0 H SER F 33 105.293 2.091 0.198 1.00 0.00 H new ATOM 0 HA SER F 33 103.441 3.911 1.330 1.00 0.00 H new ATOM 0 HB2 SER F 33 105.667 2.324 2.690 1.00 0.00 H new ATOM 0 HB3 SER F 33 104.238 2.978 3.465 1.00 0.00 H new ATOM 0 HG SER F 33 104.440 0.835 1.593 1.00 0.00 H new ATOM 1321 N LEU F 34 106.640 4.780 1.450 1.00 0.00 N ATOM 1322 CA LEU F 34 107.538 5.915 1.710 1.00 0.00 C ATOM 1323 C LEU F 34 107.107 7.124 0.877 1.00 0.00 C ATOM 1324 O LEU F 34 107.147 8.262 1.348 1.00 0.00 O ATOM 1325 CB LEU F 34 109.003 5.556 1.361 1.00 0.00 C ATOM 1326 CG LEU F 34 109.504 4.366 2.202 1.00 0.00 C ATOM 1327 CD1 LEU F 34 110.816 3.814 1.601 1.00 0.00 C ATOM 1328 CD2 LEU F 34 109.757 4.829 3.644 1.00 0.00 C ATOM 0 H LEU F 34 107.096 3.963 1.044 1.00 0.00 H new ATOM 0 HA LEU F 34 107.478 6.155 2.772 1.00 0.00 H new ATOM 0 HB2 LEU F 34 109.077 5.312 0.301 1.00 0.00 H new ATOM 0 HB3 LEU F 34 109.643 6.421 1.534 1.00 0.00 H new ATOM 0 HG LEU F 34 108.749 3.580 2.197 1.00 0.00 H new ATOM 0 HD11 LEU F 34 111.165 2.973 2.200 1.00 0.00 H new ATOM 0 HD12 LEU F 34 110.636 3.481 0.579 1.00 0.00 H new ATOM 0 HD13 LEU F 34 111.574 4.598 1.600 1.00 0.00 H new ATOM 0 HD21 LEU F 34 110.111 3.988 4.239 1.00 0.00 H new ATOM 0 HD22 LEU F 34 110.509 5.618 3.646 1.00 0.00 H new ATOM 0 HD23 LEU F 34 108.830 5.211 4.071 1.00 0.00 H new ATOM 1340 N HIS F 35 106.698 6.856 -0.367 1.00 0.00 N ATOM 1341 CA HIS F 35 106.256 7.907 -1.289 1.00 0.00 C ATOM 1342 C HIS F 35 104.879 8.454 -0.894 1.00 0.00 C ATOM 1343 O HIS F 35 104.700 9.668 -0.765 1.00 0.00 O ATOM 1344 CB HIS F 35 106.204 7.328 -2.717 1.00 0.00 C ATOM 1345 CG HIS F 35 105.523 8.290 -3.662 1.00 0.00 C ATOM 1346 ND1 HIS F 35 104.146 8.300 -3.835 1.00 0.00 N ATOM 1347 CD2 HIS F 35 106.012 9.274 -4.486 1.00 0.00 C ATOM 1348 CE1 HIS F 35 103.858 9.260 -4.732 1.00 0.00 C ATOM 1349 NE2 HIS F 35 104.958 9.885 -5.161 1.00 0.00 N ATOM 0 H HIS F 35 106.664 5.915 -0.760 1.00 0.00 H new ATOM 0 HA HIS F 35 106.965 8.734 -1.244 1.00 0.00 H new ATOM 0 HB2 HIS F 35 107.215 7.122 -3.068 1.00 0.00 H new ATOM 0 HB3 HIS F 35 105.669 6.378 -2.710 1.00 0.00 H new ATOM 0 HD1 HIS F 35 103.475 7.691 -3.367 1.00 0.00 H new ATOM 0 HD2 HIS F 35 107.055 9.534 -4.594 1.00 0.00 H new ATOM 0 HE1 HIS F 35 102.858 9.497 -5.065 1.00 0.00 H new ATOM 1358 N ASP F 36 103.914 7.548 -0.739 1.00 0.00 N ATOM 1359 CA ASP F 36 102.541 7.926 -0.395 1.00 0.00 C ATOM 1360 C ASP F 36 102.471 8.652 0.951 1.00 0.00 C ATOM 1361 O ASP F 36 101.670 9.576 1.114 1.00 0.00 O ATOM 1362 CB ASP F 36 101.650 6.670 -0.364 1.00 0.00 C ATOM 1363 CG ASP F 36 101.574 5.991 -1.749 1.00 0.00 C ATOM 1364 OD1 ASP F 36 101.926 6.621 -2.743 1.00 0.00 O ATOM 1365 OD2 ASP F 36 101.160 4.844 -1.793 1.00 0.00 O ATOM 0 H ASP F 36 104.057 6.544 -0.846 1.00 0.00 H new ATOM 0 HA ASP F 36 102.181 8.615 -1.159 1.00 0.00 H new ATOM 0 HB2 ASP F 36 102.042 5.963 0.367 1.00 0.00 H new ATOM 0 HB3 ASP F 36 100.647 6.943 -0.037 1.00 0.00 H new ATOM 1370 N ASP F 37 103.306 8.225 1.906 1.00 0.00 N ATOM 1371 CA ASP F 37 103.332 8.837 3.243 1.00 0.00 C ATOM 1372 C ASP F 37 104.772 9.238 3.622 1.00 0.00 C ATOM 1373 O ASP F 37 105.449 8.519 4.367 1.00 0.00 O ATOM 1374 CB ASP F 37 102.752 7.856 4.278 1.00 0.00 C ATOM 1375 CG ASP F 37 101.396 7.323 3.805 1.00 0.00 C ATOM 1376 OD1 ASP F 37 100.470 8.114 3.715 1.00 0.00 O ATOM 1377 OD2 ASP F 37 101.302 6.134 3.539 1.00 0.00 O ATOM 0 H ASP F 37 103.971 7.461 1.780 1.00 0.00 H new ATOM 0 HA ASP F 37 102.719 9.738 3.233 1.00 0.00 H new ATOM 0 HB2 ASP F 37 103.443 7.027 4.430 1.00 0.00 H new ATOM 0 HB3 ASP F 37 102.638 8.357 5.239 1.00 0.00 H new ATOM 1382 N PRO F 38 105.255 10.363 3.113 1.00 0.00 N ATOM 1383 CA PRO F 38 106.645 10.854 3.397 1.00 0.00 C ATOM 1384 C PRO F 38 106.902 11.063 4.892 1.00 0.00 C ATOM 1385 O PRO F 38 107.899 10.577 5.429 1.00 0.00 O ATOM 1386 CB PRO F 38 106.737 12.188 2.635 1.00 0.00 C ATOM 1387 CG PRO F 38 105.641 12.154 1.623 1.00 0.00 C ATOM 1388 CD PRO F 38 104.534 11.286 2.214 1.00 0.00 C ATOM 0 HA PRO F 38 107.395 10.128 3.083 1.00 0.00 H new ATOM 0 HB2 PRO F 38 106.618 13.034 3.312 1.00 0.00 H new ATOM 0 HB3 PRO F 38 107.709 12.298 2.155 1.00 0.00 H new ATOM 0 HG2 PRO F 38 105.276 13.159 1.413 1.00 0.00 H new ATOM 0 HG3 PRO F 38 105.997 11.740 0.679 1.00 0.00 H new ATOM 0 HD2 PRO F 38 103.803 11.885 2.757 1.00 0.00 H new ATOM 0 HD3 PRO F 38 103.991 10.747 1.438 1.00 0.00 H new ATOM 1396 N SER F 39 105.995 11.787 5.550 1.00 0.00 N ATOM 1397 CA SER F 39 106.121 12.060 6.984 1.00 0.00 C ATOM 1398 C SER F 39 106.102 10.758 7.786 1.00 0.00 C ATOM 1399 O SER F 39 106.758 10.650 8.826 1.00 0.00 O ATOM 1400 CB SER F 39 104.974 12.966 7.444 1.00 0.00 C ATOM 1401 OG SER F 39 104.952 14.144 6.647 1.00 0.00 O ATOM 0 H SER F 39 105.167 12.194 5.115 1.00 0.00 H new ATOM 0 HA SER F 39 107.073 12.562 7.157 1.00 0.00 H new ATOM 0 HB2 SER F 39 104.024 12.439 7.359 1.00 0.00 H new ATOM 0 HB3 SER F 39 105.101 13.227 8.495 1.00 0.00 H new ATOM 0 HG SER F 39 104.218 14.723 6.939 1.00 0.00 H new ATOM 1407 N GLN F 40 105.331 9.784 7.296 1.00 0.00 N ATOM 1408 CA GLN F 40 105.194 8.487 7.956 1.00 0.00 C ATOM 1409 C GLN F 40 106.321 7.527 7.555 1.00 0.00 C ATOM 1410 O GLN F 40 106.363 6.395 8.040 1.00 0.00 O ATOM 1411 CB GLN F 40 103.831 7.880 7.576 1.00 0.00 C ATOM 1412 CG GLN F 40 103.108 7.368 8.820 1.00 0.00 C ATOM 1413 CD GLN F 40 101.762 6.760 8.434 1.00 0.00 C ATOM 1414 OE1 GLN F 40 101.679 5.572 8.127 1.00 0.00 O ATOM 1415 NE2 GLN F 40 100.696 7.513 8.428 1.00 0.00 N ATOM 0 H GLN F 40 104.788 9.873 6.437 1.00 0.00 H new ATOM 0 HA GLN F 40 105.258 8.636 9.034 1.00 0.00 H new ATOM 0 HB2 GLN F 40 103.219 8.630 7.075 1.00 0.00 H new ATOM 0 HB3 GLN F 40 103.975 7.063 6.869 1.00 0.00 H new ATOM 0 HG2 GLN F 40 103.721 6.621 9.325 1.00 0.00 H new ATOM 0 HG3 GLN F 40 102.957 8.186 9.525 1.00 0.00 H new ATOM 0 HE21 GLN F 40 100.766 8.498 8.683 1.00 0.00 H new ATOM 0 HE22 GLN F 40 99.793 7.116 8.169 1.00 0.00 H new ATOM 1424 N SER F 41 107.228 7.974 6.669 1.00 0.00 N ATOM 1425 CA SER F 41 108.343 7.125 6.214 1.00 0.00 C ATOM 1426 C SER F 41 109.141 6.590 7.401 1.00 0.00 C ATOM 1427 O SER F 41 109.564 5.433 7.405 1.00 0.00 O ATOM 1428 CB SER F 41 109.269 7.922 5.292 1.00 0.00 C ATOM 1429 OG SER F 41 109.898 8.957 6.038 1.00 0.00 O ATOM 0 H SER F 41 107.212 8.907 6.258 1.00 0.00 H new ATOM 0 HA SER F 41 107.924 6.281 5.667 1.00 0.00 H new ATOM 0 HB2 SER F 41 110.021 7.264 4.856 1.00 0.00 H new ATOM 0 HB3 SER F 41 108.700 8.348 4.466 1.00 0.00 H new ATOM 0 HG SER F 41 109.270 9.699 6.163 1.00 0.00 H new ATOM 1435 N ALA F 42 109.317 7.442 8.407 1.00 0.00 N ATOM 1436 CA ALA F 42 110.040 7.066 9.621 1.00 0.00 C ATOM 1437 C ALA F 42 109.316 5.915 10.322 1.00 0.00 C ATOM 1438 O ALA F 42 109.938 4.920 10.702 1.00 0.00 O ATOM 1439 CB ALA F 42 110.138 8.270 10.566 1.00 0.00 C ATOM 0 H ALA F 42 108.968 8.401 8.406 1.00 0.00 H new ATOM 0 HA ALA F 42 111.045 6.744 9.350 1.00 0.00 H new ATOM 0 HB1 ALA F 42 110.678 7.982 11.468 1.00 0.00 H new ATOM 0 HB2 ALA F 42 110.670 9.081 10.068 1.00 0.00 H new ATOM 0 HB3 ALA F 42 109.136 8.604 10.834 1.00 0.00 H new ATOM 1445 N ASN F 43 107.990 6.049 10.465 1.00 0.00 N ATOM 1446 CA ASN F 43 107.185 4.999 11.093 1.00 0.00 C ATOM 1447 C ASN F 43 107.232 3.737 10.240 1.00 0.00 C ATOM 1448 O ASN F 43 107.346 2.625 10.764 1.00 0.00 O ATOM 1449 CB ASN F 43 105.734 5.459 11.251 1.00 0.00 C ATOM 1450 CG ASN F 43 105.655 6.608 12.252 1.00 0.00 C ATOM 1451 OD1 ASN F 43 105.301 7.730 11.890 1.00 0.00 O ATOM 1452 ND2 ASN F 43 105.963 6.391 13.500 1.00 0.00 N ATOM 0 H ASN F 43 107.460 6.864 10.158 1.00 0.00 H new ATOM 0 HA ASN F 43 107.595 4.788 12.081 1.00 0.00 H new ATOM 0 HB2 ASN F 43 105.338 5.778 10.287 1.00 0.00 H new ATOM 0 HB3 ASN F 43 105.116 4.628 11.590 1.00 0.00 H new ATOM 0 HD21 ASN F 43 105.911 7.151 14.178 1.00 0.00 H new ATOM 0 HD22 ASN F 43 106.256 5.461 13.799 1.00 0.00 H new ATOM 1459 N LEU F 44 107.165 3.928 8.916 1.00 0.00 N ATOM 1460 CA LEU F 44 107.226 2.812 7.975 1.00 0.00 C ATOM 1461 C LEU F 44 108.569 2.112 8.103 1.00 0.00 C ATOM 1462 O LEU F 44 108.650 0.894 7.991 1.00 0.00 O ATOM 1463 CB LEU F 44 107.053 3.312 6.535 1.00 0.00 C ATOM 1464 CG LEU F 44 105.627 3.839 6.313 1.00 0.00 C ATOM 1465 CD1 LEU F 44 105.597 4.704 5.043 1.00 0.00 C ATOM 1466 CD2 LEU F 44 104.660 2.655 6.154 1.00 0.00 C ATOM 0 H LEU F 44 107.069 4.844 8.477 1.00 0.00 H new ATOM 0 HA LEU F 44 106.420 2.116 8.208 1.00 0.00 H new ATOM 0 HB2 LEU F 44 107.775 4.103 6.330 1.00 0.00 H new ATOM 0 HB3 LEU F 44 107.260 2.502 5.836 1.00 0.00 H new ATOM 0 HG LEU F 44 105.322 4.440 7.170 1.00 0.00 H new ATOM 0 HD11 LEU F 44 104.586 5.080 4.882 1.00 0.00 H new ATOM 0 HD12 LEU F 44 106.282 5.544 5.158 1.00 0.00 H new ATOM 0 HD13 LEU F 44 105.901 4.103 4.186 1.00 0.00 H new ATOM 0 HD21 LEU F 44 103.649 3.030 5.997 1.00 0.00 H new ATOM 0 HD22 LEU F 44 104.961 2.052 5.297 1.00 0.00 H new ATOM 0 HD23 LEU F 44 104.684 2.042 7.055 1.00 0.00 H new ATOM 1478 N LEU F 45 109.615 2.906 8.345 1.00 0.00 N ATOM 1479 CA LEU F 45 110.964 2.374 8.502 1.00 0.00 C ATOM 1480 C LEU F 45 111.021 1.428 9.695 1.00 0.00 C ATOM 1481 O LEU F 45 111.685 0.398 9.636 1.00 0.00 O ATOM 1482 CB LEU F 45 111.974 3.524 8.697 1.00 0.00 C ATOM 1483 CG LEU F 45 112.878 3.638 7.458 1.00 0.00 C ATOM 1484 CD1 LEU F 45 112.086 4.270 6.298 1.00 0.00 C ATOM 1485 CD2 LEU F 45 114.108 4.515 7.767 1.00 0.00 C ATOM 0 H LEU F 45 109.550 3.920 8.436 1.00 0.00 H new ATOM 0 HA LEU F 45 111.226 1.823 7.599 1.00 0.00 H new ATOM 0 HB2 LEU F 45 111.444 4.462 8.859 1.00 0.00 H new ATOM 0 HB3 LEU F 45 112.579 3.342 9.585 1.00 0.00 H new ATOM 0 HG LEU F 45 113.214 2.639 7.179 1.00 0.00 H new ATOM 0 HD11 LEU F 45 112.728 4.350 5.421 1.00 0.00 H new ATOM 0 HD12 LEU F 45 111.225 3.645 6.062 1.00 0.00 H new ATOM 0 HD13 LEU F 45 111.744 5.263 6.589 1.00 0.00 H new ATOM 0 HD21 LEU F 45 114.737 4.585 6.880 1.00 0.00 H new ATOM 0 HD22 LEU F 45 113.780 5.513 8.059 1.00 0.00 H new ATOM 0 HD23 LEU F 45 114.678 4.068 8.581 1.00 0.00 H new ATOM 1497 N ALA F 46 110.320 1.787 10.770 1.00 0.00 N ATOM 1498 CA ALA F 46 110.301 0.960 11.975 1.00 0.00 C ATOM 1499 C ALA F 46 109.699 -0.416 11.686 1.00 0.00 C ATOM 1500 O ALA F 46 110.314 -1.439 11.997 1.00 0.00 O ATOM 1501 CB ALA F 46 109.494 1.663 13.076 1.00 0.00 C ATOM 0 H ALA F 46 109.762 2.639 10.831 1.00 0.00 H new ATOM 0 HA ALA F 46 111.328 0.819 12.311 1.00 0.00 H new ATOM 0 HB1 ALA F 46 109.483 1.042 13.972 1.00 0.00 H new ATOM 0 HB2 ALA F 46 109.953 2.624 13.306 1.00 0.00 H new ATOM 0 HB3 ALA F 46 108.472 1.822 12.733 1.00 0.00 H new ATOM 1507 N GLU F 47 108.500 -0.436 11.092 1.00 0.00 N ATOM 1508 CA GLU F 47 107.838 -1.706 10.772 1.00 0.00 C ATOM 1509 C GLU F 47 108.563 -2.426 9.634 1.00 0.00 C ATOM 1510 O GLU F 47 108.709 -3.646 9.666 1.00 0.00 O ATOM 1511 CB GLU F 47 106.378 -1.479 10.370 1.00 0.00 C ATOM 1512 CG GLU F 47 105.579 -0.833 11.520 1.00 0.00 C ATOM 1513 CD GLU F 47 105.620 -1.701 12.790 1.00 0.00 C ATOM 1514 OE1 GLU F 47 105.227 -2.856 12.716 1.00 0.00 O ATOM 1515 OE2 GLU F 47 106.031 -1.194 13.821 1.00 0.00 O ATOM 0 H GLU F 47 107.976 0.398 10.827 1.00 0.00 H new ATOM 0 HA GLU F 47 107.870 -2.324 11.669 1.00 0.00 H new ATOM 0 HB2 GLU F 47 106.336 -0.838 9.489 1.00 0.00 H new ATOM 0 HB3 GLU F 47 105.921 -2.430 10.095 1.00 0.00 H new ATOM 0 HG2 GLU F 47 105.987 0.154 11.739 1.00 0.00 H new ATOM 0 HG3 GLU F 47 104.544 -0.689 11.210 1.00 0.00 H new ATOM 1522 N ALA F 48 109.021 -1.665 8.634 1.00 0.00 N ATOM 1523 CA ALA F 48 109.741 -2.249 7.498 1.00 0.00 C ATOM 1524 C ALA F 48 111.001 -2.930 8.012 1.00 0.00 C ATOM 1525 O ALA F 48 111.328 -4.049 7.615 1.00 0.00 O ATOM 1526 CB ALA F 48 110.111 -1.161 6.485 1.00 0.00 C ATOM 0 H ALA F 48 108.907 -0.652 8.588 1.00 0.00 H new ATOM 0 HA ALA F 48 109.102 -2.979 7.000 1.00 0.00 H new ATOM 0 HB1 ALA F 48 110.645 -1.610 5.648 1.00 0.00 H new ATOM 0 HB2 ALA F 48 109.204 -0.679 6.121 1.00 0.00 H new ATOM 0 HB3 ALA F 48 110.748 -0.418 6.965 1.00 0.00 H new ATOM 1532 N LYS F 49 111.673 -2.253 8.941 1.00 0.00 N ATOM 1533 CA LYS F 49 112.860 -2.798 9.566 1.00 0.00 C ATOM 1534 C LYS F 49 112.457 -4.020 10.398 1.00 0.00 C ATOM 1535 O LYS F 49 113.165 -5.027 10.427 1.00 0.00 O ATOM 1536 CB LYS F 49 113.508 -1.729 10.453 1.00 0.00 C ATOM 1537 CG LYS F 49 114.878 -2.215 10.950 1.00 0.00 C ATOM 1538 CD LYS F 49 114.997 -1.979 12.464 1.00 0.00 C ATOM 1539 CE LYS F 49 115.069 -0.474 12.772 1.00 0.00 C ATOM 1540 NZ LYS F 49 116.448 0.030 12.506 1.00 0.00 N ATOM 0 H LYS F 49 111.409 -1.325 9.273 1.00 0.00 H new ATOM 0 HA LYS F 49 113.584 -3.101 8.809 1.00 0.00 H new ATOM 0 HB2 LYS F 49 113.624 -0.801 9.892 1.00 0.00 H new ATOM 0 HB3 LYS F 49 112.861 -1.509 11.302 1.00 0.00 H new ATOM 0 HG2 LYS F 49 115.001 -3.275 10.727 1.00 0.00 H new ATOM 0 HG3 LYS F 49 115.674 -1.685 10.427 1.00 0.00 H new ATOM 0 HD2 LYS F 49 114.141 -2.420 12.975 1.00 0.00 H new ATOM 0 HD3 LYS F 49 115.888 -2.477 12.847 1.00 0.00 H new ATOM 0 HE2 LYS F 49 114.349 0.067 12.158 1.00 0.00 H new ATOM 0 HE3 LYS F 49 114.800 -0.293 13.813 1.00 0.00 H new ATOM 0 HZ1 LYS F 49 116.506 1.036 12.764 1.00 0.00 H new ATOM 0 HZ2 LYS F 49 117.131 -0.512 13.072 1.00 0.00 H new ATOM 0 HZ3 LYS F 49 116.670 -0.082 11.496 1.00 0.00 H new ATOM 1554 N LYS F 50 111.287 -3.918 11.051 1.00 0.00 N ATOM 1555 CA LYS F 50 110.757 -5.013 11.865 1.00 0.00 C ATOM 1556 C LYS F 50 110.502 -6.236 10.991 1.00 0.00 C ATOM 1557 O LYS F 50 110.728 -7.361 11.427 1.00 0.00 O ATOM 1558 CB LYS F 50 109.463 -4.570 12.564 1.00 0.00 C ATOM 1559 CG LYS F 50 108.951 -5.665 13.514 1.00 0.00 C ATOM 1560 CD LYS F 50 107.538 -5.315 14.012 1.00 0.00 C ATOM 1561 CE LYS F 50 107.587 -4.111 14.963 1.00 0.00 C ATOM 1562 NZ LYS F 50 106.197 -3.721 15.337 1.00 0.00 N ATOM 0 H LYS F 50 110.695 -3.088 11.028 1.00 0.00 H new ATOM 0 HA LYS F 50 111.489 -5.278 12.628 1.00 0.00 H new ATOM 0 HB2 LYS F 50 109.643 -3.652 13.124 1.00 0.00 H new ATOM 0 HB3 LYS F 50 108.701 -4.344 11.818 1.00 0.00 H new ATOM 0 HG2 LYS F 50 108.936 -6.626 12.999 1.00 0.00 H new ATOM 0 HG3 LYS F 50 109.629 -5.768 14.362 1.00 0.00 H new ATOM 0 HD2 LYS F 50 106.892 -5.090 13.163 1.00 0.00 H new ATOM 0 HD3 LYS F 50 107.103 -6.173 14.524 1.00 0.00 H new ATOM 0 HE2 LYS F 50 108.159 -4.362 15.856 1.00 0.00 H new ATOM 0 HE3 LYS F 50 108.095 -3.274 14.483 1.00 0.00 H new ATOM 0 HZ1 LYS F 50 106.217 -2.819 15.854 1.00 0.00 H new ATOM 0 HZ2 LYS F 50 105.623 -3.614 14.476 1.00 0.00 H new ATOM 0 HZ3 LYS F 50 105.780 -4.458 15.941 1.00 0.00 H new ATOM 1576 N LEU F 51 110.053 -6.011 9.745 1.00 0.00 N ATOM 1577 CA LEU F 51 109.805 -7.120 8.816 1.00 0.00 C ATOM 1578 C LEU F 51 111.085 -7.877 8.548 1.00 0.00 C ATOM 1579 O LEU F 51 111.077 -9.097 8.464 1.00 0.00 O ATOM 1580 CB LEU F 51 109.281 -6.617 7.476 1.00 0.00 C ATOM 1581 CG LEU F 51 107.834 -6.158 7.571 1.00 0.00 C ATOM 1582 CD1 LEU F 51 107.360 -5.754 6.169 1.00 0.00 C ATOM 1583 CD2 LEU F 51 106.954 -7.299 8.119 1.00 0.00 C ATOM 0 H LEU F 51 109.858 -5.085 9.364 1.00 0.00 H new ATOM 0 HA LEU F 51 109.062 -7.766 9.284 1.00 0.00 H new ATOM 0 HB2 LEU F 51 109.902 -5.791 7.130 1.00 0.00 H new ATOM 0 HB3 LEU F 51 109.363 -7.410 6.733 1.00 0.00 H new ATOM 0 HG LEU F 51 107.756 -5.308 8.249 1.00 0.00 H new ATOM 0 HD11 LEU F 51 106.323 -5.422 6.217 1.00 0.00 H new ATOM 0 HD12 LEU F 51 107.984 -4.943 5.794 1.00 0.00 H new ATOM 0 HD13 LEU F 51 107.436 -6.610 5.499 1.00 0.00 H new ATOM 0 HD21 LEU F 51 105.920 -6.962 8.184 1.00 0.00 H new ATOM 0 HD22 LEU F 51 107.014 -8.158 7.451 1.00 0.00 H new ATOM 0 HD23 LEU F 51 107.305 -7.585 9.110 1.00 0.00 H new ATOM 1595 N ASN F 52 112.187 -7.140 8.425 1.00 0.00 N ATOM 1596 CA ASN F 52 113.479 -7.765 8.187 1.00 0.00 C ATOM 1597 C ASN F 52 113.745 -8.762 9.326 1.00 0.00 C ATOM 1598 O ASN F 52 114.273 -9.855 9.108 1.00 0.00 O ATOM 1599 CB ASN F 52 114.578 -6.673 8.079 1.00 0.00 C ATOM 1600 CG ASN F 52 115.676 -6.859 9.122 1.00 0.00 C ATOM 1601 OD1 ASN F 52 116.716 -7.457 8.848 1.00 0.00 O ATOM 1602 ND2 ASN F 52 115.488 -6.378 10.311 1.00 0.00 N ATOM 0 H ASN F 52 112.209 -6.122 8.486 1.00 0.00 H new ATOM 0 HA ASN F 52 113.487 -8.312 7.244 1.00 0.00 H new ATOM 0 HB2 ASN F 52 115.018 -6.699 7.082 1.00 0.00 H new ATOM 0 HB3 ASN F 52 114.125 -5.689 8.202 1.00 0.00 H new ATOM 0 HD21 ASN F 52 116.205 -6.494 11.027 1.00 0.00 H new ATOM 0 HD22 ASN F 52 114.623 -5.884 10.530 1.00 0.00 H new ATOM 1609 N ASP F 53 113.325 -8.361 10.535 1.00 0.00 N ATOM 1610 CA ASP F 53 113.460 -9.194 11.730 1.00 0.00 C ATOM 1611 C ASP F 53 112.369 -10.280 11.763 1.00 0.00 C ATOM 1612 O ASP F 53 112.612 -11.404 12.209 1.00 0.00 O ATOM 1613 CB ASP F 53 113.363 -8.311 12.989 1.00 0.00 C ATOM 1614 CG ASP F 53 114.479 -7.255 12.989 1.00 0.00 C ATOM 1615 OD1 ASP F 53 115.639 -7.641 13.017 1.00 0.00 O ATOM 1616 OD2 ASP F 53 114.157 -6.078 12.967 1.00 0.00 O ATOM 0 H ASP F 53 112.886 -7.457 10.707 1.00 0.00 H new ATOM 0 HA ASP F 53 114.432 -9.686 11.706 1.00 0.00 H new ATOM 0 HB2 ASP F 53 112.390 -7.821 13.023 1.00 0.00 H new ATOM 0 HB3 ASP F 53 113.440 -8.931 13.882 1.00 0.00 H new ATOM 1621 N ALA F 54 111.167 -9.916 11.297 1.00 0.00 N ATOM 1622 CA ALA F 54 110.016 -10.831 11.270 1.00 0.00 C ATOM 1623 C ALA F 54 110.158 -11.898 10.179 1.00 0.00 C ATOM 1624 O ALA F 54 109.661 -13.017 10.329 1.00 0.00 O ATOM 1625 CB ALA F 54 108.731 -10.028 11.027 1.00 0.00 C ATOM 0 H ALA F 54 110.965 -8.986 10.930 1.00 0.00 H new ATOM 0 HA ALA F 54 109.973 -11.339 12.233 1.00 0.00 H new ATOM 0 HB1 ALA F 54 107.877 -10.705 11.007 1.00 0.00 H new ATOM 0 HB2 ALA F 54 108.599 -9.301 11.829 1.00 0.00 H new ATOM 0 HB3 ALA F 54 108.803 -9.506 10.073 1.00 0.00 H new ATOM 1631 N GLN F 55 110.823 -11.527 9.083 1.00 0.00 N ATOM 1632 CA GLN F 55 111.025 -12.422 7.938 1.00 0.00 C ATOM 1633 C GLN F 55 112.417 -13.052 7.981 1.00 0.00 C ATOM 1634 O GLN F 55 112.765 -13.876 7.131 1.00 0.00 O ATOM 1635 CB GLN F 55 110.847 -11.637 6.631 1.00 0.00 C ATOM 1636 CG GLN F 55 109.414 -11.083 6.562 1.00 0.00 C ATOM 1637 CD GLN F 55 109.177 -10.308 5.260 1.00 0.00 C ATOM 1638 OE1 GLN F 55 109.921 -10.458 4.291 1.00 0.00 O ATOM 1639 NE2 GLN F 55 108.170 -9.483 5.183 1.00 0.00 N ATOM 0 H GLN F 55 111.236 -10.602 8.963 1.00 0.00 H new ATOM 0 HA GLN F 55 110.285 -13.221 7.986 1.00 0.00 H new ATOM 0 HB2 GLN F 55 111.568 -10.821 6.583 1.00 0.00 H new ATOM 0 HB3 GLN F 55 111.041 -12.284 5.775 1.00 0.00 H new ATOM 0 HG2 GLN F 55 108.701 -11.904 6.634 1.00 0.00 H new ATOM 0 HG3 GLN F 55 109.234 -10.429 7.415 1.00 0.00 H new ATOM 0 HE21 GLN F 55 107.552 -9.357 5.984 1.00 0.00 H new ATOM 0 HE22 GLN F 55 108.001 -8.964 4.321 1.00 0.00 H new ATOM 1648 N ALA F 56 113.201 -12.643 8.976 1.00 0.00 N ATOM 1649 CA ALA F 56 114.557 -13.135 9.157 1.00 0.00 C ATOM 1650 C ALA F 56 114.580 -14.648 9.397 1.00 0.00 C ATOM 1651 O ALA F 56 113.540 -15.269 9.643 1.00 0.00 O ATOM 1652 CB ALA F 56 115.203 -12.412 10.346 1.00 0.00 C ATOM 0 H ALA F 56 112.911 -11.961 9.677 1.00 0.00 H new ATOM 0 HA ALA F 56 115.118 -12.934 8.245 1.00 0.00 H new ATOM 0 HB1 ALA F 56 116.220 -12.778 10.485 1.00 0.00 H new ATOM 0 HB2 ALA F 56 115.227 -11.340 10.151 1.00 0.00 H new ATOM 0 HB3 ALA F 56 114.622 -12.604 11.248 1.00 0.00 H new