USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=14 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= -1.87 K(o=-2.5,f=-5.1!) USER MOD Set 1.2: F 55 GLN : amide:sc= -0.666 K(o=-2.5,f=-5.3) USER MOD Set 2.1: E 23 ASN : amide:sc= 0.412 K(o=1,f=-3.6) USER MOD Set 2.2: E 55 GLN : amide:sc= 0.61 K(o=1,f=-1.5) USER MOD Single : C 28 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.044) USER MOD Single : C 35 MET CE :methyl -114:sc= -0.0648 (180deg=-0.253) USER MOD Single : E 18 TYR OH : rot 140:sc= 1.16 USER MOD Single : E 21 ASN : amide:sc= -1.78! X(o=-1.8!,f=-1.8) USER MOD Single : E 26 GLN : amide:sc= -2.68! K(o=-2.7!,f=-0.96) USER MOD Single : E 32 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : E 33 SER OG : rot 170:sc= 0 USER MOD Single : E 35 HIS : no HE2:sc= -0.358 K(o=-0.36,f=-4.1!) USER MOD Single : E 39 SER OG : rot 93:sc= 0.79 USER MOD Single : E 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : E 41 SER OG : rot -89:sc= 1.22 USER MOD Single : E 43 ASN : amide:sc= -0.0122 X(o=-0.012,f=0) USER MOD Single : E 49 LYS NZ :NH3+ -150:sc= -0.699 (180deg=-2.98!) USER MOD Single : E 50 LYS NZ :NH3+ 166:sc=-0.00106 (180deg=-0.269) USER MOD Single : E 52 ASN : amide:sc= -0.209 X(o=-0.21,f=0) USER MOD Single : F 18 TYR OH : rot -62:sc= 1.43 USER MOD Single : F 21 ASN : amide:sc= -0.749 X(o=-0.75,f=-1) USER MOD Single : F 26 GLN : amide:sc= -1.36 X(o=-1.4,f=-1.5) USER MOD Single : F 32 HIS : no HE2:sc= -0.176 K(o=-0.18,f=-2.4!) USER MOD Single : F 33 SER OG : rot 81:sc= 0.66 USER MOD Single : F 35 HIS : no HD1:sc= 0 X(o=0,f=-0.0069) USER MOD Single : F 39 SER OG : rot -23:sc= 1.2 USER MOD Single : F 40 GLN : amide:sc= -0.821 K(o=-0.82,f=0) USER MOD Single : F 41 SER OG : rot -88:sc= 0.767 USER MOD Single : F 43 ASN : amide:sc= -0.0278 K(o=-0.028,f=-1.3!) USER MOD Single : F 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : F 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : F 52 ASN : amide:sc= 1.09 K(o=1.1,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 23 N LEU C 17 123.558 -7.605 -2.767 1.00 0.00 N ATOM 24 CA LEU C 17 122.813 -6.346 -2.739 1.00 0.00 C ATOM 25 C LEU C 17 121.808 -6.323 -1.602 1.00 0.00 C ATOM 26 O LEU C 17 121.228 -7.353 -1.243 1.00 0.00 O ATOM 27 CB LEU C 17 122.102 -6.098 -4.076 1.00 0.00 C ATOM 28 CG LEU C 17 123.021 -5.289 -5.013 1.00 0.00 C ATOM 29 CD1 LEU C 17 123.771 -6.232 -5.968 1.00 0.00 C ATOM 30 CD2 LEU C 17 122.182 -4.270 -5.798 1.00 0.00 C ATOM 0 HA LEU C 17 123.534 -5.546 -2.574 1.00 0.00 H new ATOM 0 HB2 LEU C 17 121.839 -7.048 -4.541 1.00 0.00 H new ATOM 0 HB3 LEU C 17 121.171 -5.557 -3.908 1.00 0.00 H new ATOM 0 HG LEU C 17 123.761 -4.752 -4.420 1.00 0.00 H new ATOM 0 HD11 LEU C 17 124.416 -5.648 -6.624 1.00 0.00 H new ATOM 0 HD12 LEU C 17 124.377 -6.929 -5.389 1.00 0.00 H new ATOM 0 HD13 LEU C 17 123.052 -6.789 -6.569 1.00 0.00 H new ATOM 0 HD21 LEU C 17 122.831 -3.698 -6.461 1.00 0.00 H new ATOM 0 HD22 LEU C 17 121.432 -4.795 -6.389 1.00 0.00 H new ATOM 0 HD23 LEU C 17 121.687 -3.593 -5.102 1.00 0.00 H new ATOM 42 N VAL C 18 121.615 -5.126 -1.043 1.00 0.00 N ATOM 43 CA VAL C 18 120.679 -4.933 0.068 1.00 0.00 C ATOM 44 C VAL C 18 119.938 -3.610 -0.106 1.00 0.00 C ATOM 45 O VAL C 18 120.569 -2.584 -0.342 1.00 0.00 O ATOM 46 CB VAL C 18 121.441 -4.921 1.413 1.00 0.00 C ATOM 47 CG1 VAL C 18 120.437 -5.054 2.567 1.00 0.00 C ATOM 48 CG2 VAL C 18 122.455 -6.081 1.464 1.00 0.00 C ATOM 0 H VAL C 18 122.094 -4.276 -1.341 1.00 0.00 H new ATOM 0 HA VAL C 18 119.964 -5.755 0.070 1.00 0.00 H new ATOM 0 HB VAL C 18 121.984 -3.981 1.508 1.00 0.00 H new ATOM 0 HG11 VAL C 18 120.971 -5.046 3.517 1.00 0.00 H new ATOM 0 HG12 VAL C 18 119.736 -4.220 2.538 1.00 0.00 H new ATOM 0 HG13 VAL C 18 119.889 -5.991 2.467 1.00 0.00 H new ATOM 0 HG21 VAL C 18 122.984 -6.060 2.417 1.00 0.00 H new ATOM 0 HG22 VAL C 18 121.928 -7.030 1.362 1.00 0.00 H new ATOM 0 HG23 VAL C 18 123.171 -5.975 0.649 1.00 0.00 H new ATOM 58 N PHE C 19 118.608 -3.631 0.036 1.00 0.00 N ATOM 59 CA PHE C 19 117.811 -2.414 -0.088 1.00 0.00 C ATOM 60 C PHE C 19 117.594 -1.823 1.286 1.00 0.00 C ATOM 61 O PHE C 19 117.182 -2.519 2.216 1.00 0.00 O ATOM 62 CB PHE C 19 116.451 -2.694 -0.754 1.00 0.00 C ATOM 63 CG PHE C 19 116.462 -2.120 -2.153 1.00 0.00 C ATOM 64 CD1 PHE C 19 117.314 -2.682 -3.113 1.00 0.00 C ATOM 65 CD2 PHE C 19 115.646 -1.019 -2.493 1.00 0.00 C ATOM 66 CE1 PHE C 19 117.354 -2.163 -4.404 1.00 0.00 C ATOM 67 CE2 PHE C 19 115.695 -0.503 -3.795 1.00 0.00 C ATOM 68 CZ PHE C 19 116.549 -1.078 -4.747 1.00 0.00 C ATOM 0 H PHE C 19 118.068 -4.473 0.235 1.00 0.00 H new ATOM 0 HA PHE C 19 118.353 -1.711 -0.721 1.00 0.00 H new ATOM 0 HB2 PHE C 19 116.262 -3.767 -0.789 1.00 0.00 H new ATOM 0 HB3 PHE C 19 115.646 -2.247 -0.170 1.00 0.00 H new ATOM 0 HD1 PHE C 19 117.942 -3.521 -2.850 1.00 0.00 H new ATOM 0 HD2 PHE C 19 114.990 -0.579 -1.757 1.00 0.00 H new ATOM 0 HE1 PHE C 19 118.010 -2.602 -5.141 1.00 0.00 H new ATOM 0 HE2 PHE C 19 115.074 0.338 -4.065 1.00 0.00 H new ATOM 0 HZ PHE C 19 116.583 -0.679 -5.750 1.00 0.00 H new ATOM 78 N PHE C 20 117.891 -0.540 1.401 1.00 0.00 N ATOM 79 CA PHE C 20 117.747 0.164 2.670 1.00 0.00 C ATOM 80 C PHE C 20 117.183 1.564 2.478 1.00 0.00 C ATOM 81 O PHE C 20 117.247 2.131 1.384 1.00 0.00 O ATOM 82 CB PHE C 20 119.101 0.242 3.375 1.00 0.00 C ATOM 83 CG PHE C 20 120.071 1.070 2.579 1.00 0.00 C ATOM 84 CD1 PHE C 20 120.039 2.464 2.673 1.00 0.00 C ATOM 85 CD2 PHE C 20 121.008 0.442 1.758 1.00 0.00 C ATOM 86 CE1 PHE C 20 120.941 3.230 1.943 1.00 0.00 C ATOM 87 CE2 PHE C 20 121.912 1.206 1.034 1.00 0.00 C ATOM 88 CZ PHE C 20 121.881 2.603 1.121 1.00 0.00 C ATOM 0 H PHE C 20 118.233 0.038 0.633 1.00 0.00 H new ATOM 0 HA PHE C 20 117.042 -0.397 3.284 1.00 0.00 H new ATOM 0 HB2 PHE C 20 118.975 0.675 4.367 1.00 0.00 H new ATOM 0 HB3 PHE C 20 119.502 -0.762 3.514 1.00 0.00 H new ATOM 0 HD1 PHE C 20 119.314 2.946 3.312 1.00 0.00 H new ATOM 0 HD2 PHE C 20 121.030 -0.635 1.686 1.00 0.00 H new ATOM 0 HE1 PHE C 20 120.915 4.308 2.011 1.00 0.00 H new ATOM 0 HE2 PHE C 20 122.641 0.722 0.402 1.00 0.00 H new ATOM 0 HZ PHE C 20 122.583 3.196 0.553 1.00 0.00 H new ATOM 98 N ALA C 21 116.652 2.114 3.568 1.00 0.00 N ATOM 99 CA ALA C 21 116.093 3.457 3.555 1.00 0.00 C ATOM 100 C ALA C 21 116.811 4.318 4.590 1.00 0.00 C ATOM 101 O ALA C 21 116.962 3.910 5.746 1.00 0.00 O ATOM 102 CB ALA C 21 114.601 3.388 3.861 1.00 0.00 C ATOM 0 H ALA C 21 116.599 1.646 4.472 1.00 0.00 H new ATOM 0 HA ALA C 21 116.230 3.905 2.571 1.00 0.00 H new ATOM 0 HB1 ALA C 21 114.181 4.394 3.852 1.00 0.00 H new ATOM 0 HB2 ALA C 21 114.103 2.779 3.106 1.00 0.00 H new ATOM 0 HB3 ALA C 21 114.451 2.941 4.844 1.00 0.00 H new ATOM 108 N GLU C 22 117.257 5.503 4.162 1.00 0.00 N ATOM 109 CA GLU C 22 117.965 6.425 5.031 1.00 0.00 C ATOM 110 C GLU C 22 117.043 7.566 5.439 1.00 0.00 C ATOM 111 O GLU C 22 116.477 8.227 4.579 1.00 0.00 O ATOM 112 CB GLU C 22 119.176 6.976 4.262 1.00 0.00 C ATOM 113 CG GLU C 22 119.896 8.031 5.098 1.00 0.00 C ATOM 114 CD GLU C 22 121.093 8.595 4.329 1.00 0.00 C ATOM 115 OE1 GLU C 22 122.031 7.848 4.103 1.00 0.00 O ATOM 116 OE2 GLU C 22 121.055 9.764 3.976 1.00 0.00 O ATOM 0 H GLU C 22 117.134 5.841 3.208 1.00 0.00 H new ATOM 0 HA GLU C 22 118.297 5.912 5.934 1.00 0.00 H new ATOM 0 HB2 GLU C 22 119.862 6.164 4.019 1.00 0.00 H new ATOM 0 HB3 GLU C 22 118.849 7.411 3.318 1.00 0.00 H new ATOM 0 HG2 GLU C 22 119.206 8.836 5.352 1.00 0.00 H new ATOM 0 HG3 GLU C 22 120.233 7.592 6.037 1.00 0.00 H new ATOM 123 N ASP C 23 116.925 7.807 6.748 1.00 0.00 N ATOM 124 CA ASP C 23 116.089 8.890 7.251 1.00 0.00 C ATOM 125 C ASP C 23 116.802 10.210 6.994 1.00 0.00 C ATOM 126 O ASP C 23 117.914 10.433 7.477 1.00 0.00 O ATOM 127 CB ASP C 23 115.828 8.711 8.751 1.00 0.00 C ATOM 128 CG ASP C 23 114.860 9.787 9.248 1.00 0.00 C ATOM 129 OD1 ASP C 23 113.664 9.593 9.104 1.00 0.00 O ATOM 130 OD2 ASP C 23 115.329 10.790 9.761 1.00 0.00 O ATOM 0 H ASP C 23 117.398 7.267 7.473 1.00 0.00 H new ATOM 0 HA ASP C 23 115.127 8.882 6.738 1.00 0.00 H new ATOM 0 HB2 ASP C 23 115.412 7.721 8.940 1.00 0.00 H new ATOM 0 HB3 ASP C 23 116.767 8.773 9.301 1.00 0.00 H new ATOM 135 N VAL C 24 116.174 11.053 6.182 1.00 0.00 N ATOM 136 CA VAL C 24 116.761 12.343 5.798 1.00 0.00 C ATOM 137 C VAL C 24 115.860 13.521 6.165 1.00 0.00 C ATOM 138 O VAL C 24 116.287 14.678 6.076 1.00 0.00 O ATOM 139 CB VAL C 24 117.022 12.324 4.279 1.00 0.00 C ATOM 140 CG1 VAL C 24 117.844 11.071 3.940 1.00 0.00 C ATOM 141 CG2 VAL C 24 115.678 12.310 3.511 1.00 0.00 C ATOM 0 H VAL C 24 115.257 10.871 5.774 1.00 0.00 H new ATOM 0 HA VAL C 24 117.693 12.479 6.347 1.00 0.00 H new ATOM 0 HB VAL C 24 117.574 13.216 3.984 1.00 0.00 H new ATOM 0 HG11 VAL C 24 118.038 11.042 2.868 1.00 0.00 H new ATOM 0 HG12 VAL C 24 118.791 11.100 4.479 1.00 0.00 H new ATOM 0 HG13 VAL C 24 117.287 10.181 4.232 1.00 0.00 H new ATOM 0 HG21 VAL C 24 115.872 12.297 2.438 1.00 0.00 H new ATOM 0 HG22 VAL C 24 115.110 11.422 3.788 1.00 0.00 H new ATOM 0 HG23 VAL C 24 115.105 13.202 3.765 1.00 0.00 H new ATOM 183 N LYS C 28 111.173 14.892 2.883 1.00 0.00 N ATOM 184 CA LYS C 28 111.399 13.795 1.942 1.00 0.00 C ATOM 185 C LYS C 28 111.259 12.448 2.651 1.00 0.00 C ATOM 186 O LYS C 28 111.325 11.394 2.012 1.00 0.00 O ATOM 187 CB LYS C 28 112.809 13.903 1.348 1.00 0.00 C ATOM 188 CG LYS C 28 112.928 15.169 0.485 1.00 0.00 C ATOM 189 CD LYS C 28 114.147 15.065 -0.447 1.00 0.00 C ATOM 190 CE LYS C 28 115.451 15.210 0.351 1.00 0.00 C ATOM 191 NZ LYS C 28 115.678 16.648 0.675 1.00 0.00 N ATOM 0 HA LYS C 28 110.656 13.862 1.147 1.00 0.00 H new ATOM 0 HB2 LYS C 28 113.548 13.930 2.149 1.00 0.00 H new ATOM 0 HB3 LYS C 28 113.025 13.021 0.745 1.00 0.00 H new ATOM 0 HG2 LYS C 28 112.021 15.302 -0.105 1.00 0.00 H new ATOM 0 HG3 LYS C 28 113.024 16.046 1.125 1.00 0.00 H new ATOM 0 HD2 LYS C 28 114.135 14.106 -0.964 1.00 0.00 H new ATOM 0 HD3 LYS C 28 114.094 15.840 -1.212 1.00 0.00 H new ATOM 0 HE2 LYS C 28 115.396 14.624 1.268 1.00 0.00 H new ATOM 0 HE3 LYS C 28 116.289 14.820 -0.227 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 116.629 16.767 1.079 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 115.597 17.216 -0.192 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 114.967 16.965 1.365 1.00 0.00 H new ATOM 205 N GLY C 29 111.087 12.494 3.978 1.00 0.00 N ATOM 206 CA GLY C 29 110.967 11.276 4.771 1.00 0.00 C ATOM 207 C GLY C 29 112.303 10.545 4.777 1.00 0.00 C ATOM 208 O GLY C 29 113.220 10.922 5.515 1.00 0.00 O ATOM 0 H GLY C 29 111.029 13.358 4.517 1.00 0.00 H new ATOM 0 HA2 GLY C 29 110.669 11.520 5.791 1.00 0.00 H new ATOM 0 HA3 GLY C 29 110.190 10.634 4.357 1.00 0.00 H new ATOM 212 N ALA C 30 112.410 9.515 3.932 1.00 0.00 N ATOM 213 CA ALA C 30 113.643 8.739 3.811 1.00 0.00 C ATOM 214 C ALA C 30 114.030 8.579 2.338 1.00 0.00 C ATOM 215 O ALA C 30 113.221 8.848 1.444 1.00 0.00 O ATOM 216 CB ALA C 30 113.472 7.364 4.458 1.00 0.00 C ATOM 0 H ALA C 30 111.655 9.201 3.322 1.00 0.00 H new ATOM 0 HA ALA C 30 114.439 9.275 4.328 1.00 0.00 H new ATOM 0 HB1 ALA C 30 114.398 6.798 4.360 1.00 0.00 H new ATOM 0 HB2 ALA C 30 113.232 7.486 5.514 1.00 0.00 H new ATOM 0 HB3 ALA C 30 112.664 6.826 3.962 1.00 0.00 H new ATOM 222 N ILE C 31 115.271 8.140 2.102 1.00 0.00 N ATOM 223 CA ILE C 31 115.781 7.941 0.742 1.00 0.00 C ATOM 224 C ILE C 31 116.100 6.473 0.508 1.00 0.00 C ATOM 225 O ILE C 31 116.751 5.835 1.339 1.00 0.00 O ATOM 226 CB ILE C 31 117.065 8.764 0.505 1.00 0.00 C ATOM 227 CG1 ILE C 31 116.805 10.249 0.797 1.00 0.00 C ATOM 228 CG2 ILE C 31 117.515 8.601 -0.954 1.00 0.00 C ATOM 229 CD1 ILE C 31 118.063 11.085 0.500 1.00 0.00 C ATOM 0 H ILE C 31 115.942 7.915 2.837 1.00 0.00 H new ATOM 0 HA ILE C 31 115.007 8.272 0.050 1.00 0.00 H new ATOM 0 HB ILE C 31 117.846 8.403 1.174 1.00 0.00 H new ATOM 0 HG12 ILE C 31 115.973 10.605 0.190 1.00 0.00 H new ATOM 0 HG13 ILE C 31 116.515 10.375 1.840 1.00 0.00 H new ATOM 0 HG21 ILE C 31 118.422 9.182 -1.122 1.00 0.00 H new ATOM 0 HG22 ILE C 31 117.715 7.549 -1.158 1.00 0.00 H new ATOM 0 HG23 ILE C 31 116.728 8.956 -1.619 1.00 0.00 H new ATOM 0 HD11 ILE C 31 117.861 12.135 0.712 1.00 0.00 H new ATOM 0 HD12 ILE C 31 118.885 10.740 1.127 1.00 0.00 H new ATOM 0 HD13 ILE C 31 118.335 10.973 -0.550 1.00 0.00 H new ATOM 241 N ILE C 32 115.669 5.961 -0.645 1.00 0.00 N ATOM 242 CA ILE C 32 115.940 4.581 -1.005 1.00 0.00 C ATOM 243 C ILE C 32 117.335 4.480 -1.599 1.00 0.00 C ATOM 244 O ILE C 32 117.633 5.067 -2.645 1.00 0.00 O ATOM 245 CB ILE C 32 114.872 4.052 -1.999 1.00 0.00 C ATOM 246 CG1 ILE C 32 113.743 3.375 -1.209 1.00 0.00 C ATOM 247 CG2 ILE C 32 115.467 3.035 -2.998 1.00 0.00 C ATOM 248 CD1 ILE C 32 114.264 2.109 -0.496 1.00 0.00 C ATOM 0 H ILE C 32 115.134 6.483 -1.339 1.00 0.00 H new ATOM 0 HA ILE C 32 115.891 3.960 -0.110 1.00 0.00 H new ATOM 0 HB ILE C 32 114.494 4.901 -2.568 1.00 0.00 H new ATOM 0 HG12 ILE C 32 113.337 4.071 -0.475 1.00 0.00 H new ATOM 0 HG13 ILE C 32 112.928 3.110 -1.883 1.00 0.00 H new ATOM 0 HG21 ILE C 32 114.686 2.690 -3.675 1.00 0.00 H new ATOM 0 HG22 ILE C 32 116.261 3.512 -3.573 1.00 0.00 H new ATOM 0 HG23 ILE C 32 115.875 2.184 -2.452 1.00 0.00 H new ATOM 0 HD11 ILE C 32 113.450 1.643 0.059 1.00 0.00 H new ATOM 0 HD12 ILE C 32 114.648 1.407 -1.236 1.00 0.00 H new ATOM 0 HD13 ILE C 32 115.063 2.382 0.193 1.00 0.00 H new ATOM 260 N GLY C 33 118.166 3.703 -0.922 1.00 0.00 N ATOM 261 CA GLY C 33 119.529 3.449 -1.349 1.00 0.00 C ATOM 262 C GLY C 33 119.810 1.972 -1.170 1.00 0.00 C ATOM 263 O GLY C 33 119.236 1.338 -0.281 1.00 0.00 O ATOM 0 H GLY C 33 117.910 3.229 -0.056 1.00 0.00 H new ATOM 0 HA2 GLY C 33 119.661 3.738 -2.392 1.00 0.00 H new ATOM 0 HA3 GLY C 33 120.229 4.044 -0.762 1.00 0.00 H new ATOM 267 N LEU C 34 120.669 1.422 -2.016 1.00 0.00 N ATOM 268 CA LEU C 34 120.993 -0.003 -1.932 1.00 0.00 C ATOM 269 C LEU C 34 122.487 -0.224 -1.838 1.00 0.00 C ATOM 270 O LEU C 34 123.292 0.547 -2.359 1.00 0.00 O ATOM 271 CB LEU C 34 120.444 -0.772 -3.137 1.00 0.00 C ATOM 272 CG LEU C 34 120.763 -0.007 -4.418 1.00 0.00 C ATOM 273 CD1 LEU C 34 121.287 -0.992 -5.464 1.00 0.00 C ATOM 274 CD2 LEU C 34 119.500 0.714 -4.911 1.00 0.00 C ATOM 0 H LEU C 34 121.150 1.928 -2.760 1.00 0.00 H new ATOM 0 HA LEU C 34 120.521 -0.380 -1.025 1.00 0.00 H new ATOM 0 HB2 LEU C 34 120.884 -1.768 -3.177 1.00 0.00 H new ATOM 0 HB3 LEU C 34 119.366 -0.903 -3.038 1.00 0.00 H new ATOM 0 HG LEU C 34 121.530 0.745 -4.234 1.00 0.00 H new ATOM 0 HD11 LEU C 34 121.518 -0.456 -6.385 1.00 0.00 H new ATOM 0 HD12 LEU C 34 122.189 -1.475 -5.089 1.00 0.00 H new ATOM 0 HD13 LEU C 34 120.527 -1.747 -5.665 1.00 0.00 H new ATOM 0 HD21 LEU C 34 119.727 1.261 -5.826 1.00 0.00 H new ATOM 0 HD22 LEU C 34 118.717 -0.018 -5.110 1.00 0.00 H new ATOM 0 HD23 LEU C 34 119.158 1.412 -4.147 1.00 0.00 H new ATOM 286 N MET C 35 122.817 -1.312 -1.179 1.00 0.00 N ATOM 287 CA MET C 35 124.196 -1.736 -0.981 1.00 0.00 C ATOM 288 C MET C 35 124.589 -2.634 -2.139 1.00 0.00 C ATOM 289 O MET C 35 123.743 -3.347 -2.669 1.00 0.00 O ATOM 290 CB MET C 35 124.302 -2.478 0.371 1.00 0.00 C ATOM 291 CG MET C 35 125.383 -3.570 0.337 1.00 0.00 C ATOM 292 SD MET C 35 125.334 -4.526 1.864 1.00 0.00 S ATOM 293 CE MET C 35 126.255 -3.349 2.863 1.00 0.00 C ATOM 0 H MET C 35 122.131 -1.939 -0.758 1.00 0.00 H new ATOM 0 HA MET C 35 124.873 -0.882 -0.954 1.00 0.00 H new ATOM 0 HB2 MET C 35 124.531 -1.763 1.161 1.00 0.00 H new ATOM 0 HB3 MET C 35 123.339 -2.926 0.616 1.00 0.00 H new ATOM 0 HG2 MET C 35 125.223 -4.226 -0.519 1.00 0.00 H new ATOM 0 HG3 MET C 35 126.367 -3.117 0.212 1.00 0.00 H new ATOM 0 HE1 MET C 35 127.209 -3.788 3.156 1.00 0.00 H new ATOM 0 HE2 MET C 35 126.435 -2.443 2.284 1.00 0.00 H new ATOM 0 HE3 MET C 35 125.680 -3.101 3.755 1.00 0.00 H new ATOM 303 N VAL C 36 125.863 -2.586 -2.535 1.00 0.00 N ATOM 304 CA VAL C 36 126.342 -3.411 -3.648 1.00 0.00 C ATOM 305 C VAL C 36 127.675 -4.078 -3.293 1.00 0.00 C ATOM 306 O VAL C 36 128.685 -3.397 -3.099 1.00 0.00 O ATOM 307 CB VAL C 36 126.520 -2.555 -4.922 1.00 0.00 C ATOM 308 CG1 VAL C 36 126.507 -3.462 -6.160 1.00 0.00 C ATOM 309 CG2 VAL C 36 125.393 -1.515 -5.044 1.00 0.00 C ATOM 0 H VAL C 36 126.574 -1.993 -2.108 1.00 0.00 H new ATOM 0 HA VAL C 36 125.596 -4.183 -3.837 1.00 0.00 H new ATOM 0 HB VAL C 36 127.474 -2.032 -4.854 1.00 0.00 H new ATOM 0 HG11 VAL C 36 126.633 -2.855 -7.057 1.00 0.00 H new ATOM 0 HG12 VAL C 36 127.322 -4.182 -6.092 1.00 0.00 H new ATOM 0 HG13 VAL C 36 125.557 -3.993 -6.212 1.00 0.00 H new ATOM 0 HG21 VAL C 36 125.539 -0.924 -5.948 1.00 0.00 H new ATOM 0 HG22 VAL C 36 124.431 -2.025 -5.096 1.00 0.00 H new ATOM 0 HG23 VAL C 36 125.409 -0.858 -4.175 1.00 0.00 H new ATOM 319 N GLY C 37 127.669 -5.414 -3.231 1.00 0.00 N ATOM 320 CA GLY C 37 128.877 -6.183 -2.928 1.00 0.00 C ATOM 321 C GLY C 37 129.234 -6.143 -1.445 1.00 0.00 C ATOM 322 O GLY C 37 129.103 -5.109 -0.788 1.00 0.00 O ATOM 0 H GLY C 37 126.838 -5.985 -3.387 1.00 0.00 H new ATOM 0 HA2 GLY C 37 128.732 -7.218 -3.237 1.00 0.00 H new ATOM 0 HA3 GLY C 37 129.710 -5.790 -3.510 1.00 0.00 H new ATOM 367 N GLY E 14 132.043 -2.508 0.211 1.00 0.00 N ATOM 368 CA GLY E 14 130.903 -2.539 -0.704 1.00 0.00 C ATOM 369 C GLY E 14 130.522 -1.143 -1.195 1.00 0.00 C ATOM 370 O GLY E 14 130.587 -0.168 -0.441 1.00 0.00 O ATOM 0 HA2 GLY E 14 131.142 -3.171 -1.559 1.00 0.00 H new ATOM 0 HA3 GLY E 14 130.048 -2.992 -0.202 1.00 0.00 H new ATOM 374 N GLU E 15 130.084 -1.076 -2.456 1.00 0.00 N ATOM 375 CA GLU E 15 129.639 0.180 -3.061 1.00 0.00 C ATOM 376 C GLU E 15 128.181 0.406 -2.690 1.00 0.00 C ATOM 377 O GLU E 15 127.383 -0.523 -2.749 1.00 0.00 O ATOM 378 CB GLU E 15 129.788 0.108 -4.595 1.00 0.00 C ATOM 379 CG GLU E 15 129.273 1.407 -5.248 1.00 0.00 C ATOM 380 CD GLU E 15 129.353 1.312 -6.776 1.00 0.00 C ATOM 381 OE1 GLU E 15 130.458 1.215 -7.291 1.00 0.00 O ATOM 382 OE2 GLU E 15 128.308 1.345 -7.412 1.00 0.00 O ATOM 0 H GLU E 15 130.029 -1.882 -3.079 1.00 0.00 H new ATOM 0 HA GLU E 15 130.248 1.006 -2.693 1.00 0.00 H new ATOM 0 HB2 GLU E 15 130.834 -0.048 -4.858 1.00 0.00 H new ATOM 0 HB3 GLU E 15 129.231 -0.746 -4.981 1.00 0.00 H new ATOM 0 HG2 GLU E 15 128.243 1.590 -4.943 1.00 0.00 H new ATOM 0 HG3 GLU E 15 129.864 2.254 -4.900 1.00 0.00 H new ATOM 389 N ILE E 16 127.843 1.637 -2.301 1.00 0.00 N ATOM 390 CA ILE E 16 126.469 1.956 -1.914 1.00 0.00 C ATOM 391 C ILE E 16 125.858 2.963 -2.891 1.00 0.00 C ATOM 392 O ILE E 16 126.438 4.013 -3.177 1.00 0.00 O ATOM 393 CB ILE E 16 126.437 2.464 -0.463 1.00 0.00 C ATOM 394 CG1 ILE E 16 127.123 1.405 0.441 1.00 0.00 C ATOM 395 CG2 ILE E 16 124.980 2.667 -0.027 1.00 0.00 C ATOM 396 CD1 ILE E 16 126.848 1.668 1.928 1.00 0.00 C ATOM 0 H ILE E 16 128.494 2.421 -2.246 1.00 0.00 H new ATOM 0 HA ILE E 16 125.860 1.053 -1.962 1.00 0.00 H new ATOM 0 HB ILE E 16 126.963 3.415 -0.380 1.00 0.00 H new ATOM 0 HG12 ILE E 16 126.764 0.411 0.174 1.00 0.00 H new ATOM 0 HG13 ILE E 16 128.198 1.415 0.262 1.00 0.00 H new ATOM 0 HG21 ILE E 16 124.955 3.027 1.001 1.00 0.00 H new ATOM 0 HG22 ILE E 16 124.504 3.399 -0.679 1.00 0.00 H new ATOM 0 HG23 ILE E 16 124.445 1.720 -0.093 1.00 0.00 H new ATOM 0 HD11 ILE E 16 127.344 0.907 2.530 1.00 0.00 H new ATOM 0 HD12 ILE E 16 127.230 2.652 2.200 1.00 0.00 H new ATOM 0 HD13 ILE E 16 125.774 1.633 2.111 1.00 0.00 H new ATOM 408 N VAL E 17 124.695 2.579 -3.426 1.00 0.00 N ATOM 409 CA VAL E 17 123.959 3.363 -4.428 1.00 0.00 C ATOM 410 C VAL E 17 122.704 4.026 -3.852 1.00 0.00 C ATOM 411 O VAL E 17 122.014 3.451 -3.014 1.00 0.00 O ATOM 412 CB VAL E 17 123.540 2.413 -5.565 1.00 0.00 C ATOM 413 CG1 VAL E 17 122.648 3.136 -6.594 1.00 0.00 C ATOM 414 CG2 VAL E 17 124.791 1.863 -6.255 1.00 0.00 C ATOM 0 H VAL E 17 124.231 1.706 -3.174 1.00 0.00 H new ATOM 0 HA VAL E 17 124.614 4.159 -4.782 1.00 0.00 H new ATOM 0 HB VAL E 17 122.964 1.593 -5.137 1.00 0.00 H new ATOM 0 HG11 VAL E 17 122.368 2.440 -7.385 1.00 0.00 H new ATOM 0 HG12 VAL E 17 121.749 3.505 -6.100 1.00 0.00 H new ATOM 0 HG13 VAL E 17 123.196 3.974 -7.025 1.00 0.00 H new ATOM 0 HG21 VAL E 17 124.496 1.190 -7.060 1.00 0.00 H new ATOM 0 HG22 VAL E 17 125.372 2.688 -6.666 1.00 0.00 H new ATOM 0 HG23 VAL E 17 125.396 1.318 -5.530 1.00 0.00 H new ATOM 424 N TYR E 18 122.411 5.228 -4.360 1.00 0.00 N ATOM 425 CA TYR E 18 121.221 5.989 -3.965 1.00 0.00 C ATOM 426 C TYR E 18 120.446 6.390 -5.223 1.00 0.00 C ATOM 427 O TYR E 18 121.015 7.016 -6.122 1.00 0.00 O ATOM 428 CB TYR E 18 121.629 7.248 -3.183 1.00 0.00 C ATOM 429 CG TYR E 18 121.913 6.886 -1.751 1.00 0.00 C ATOM 430 CD1 TYR E 18 123.092 6.221 -1.417 1.00 0.00 C ATOM 431 CD2 TYR E 18 120.991 7.225 -0.757 1.00 0.00 C ATOM 432 CE1 TYR E 18 123.352 5.897 -0.087 1.00 0.00 C ATOM 433 CE2 TYR E 18 121.246 6.902 0.573 1.00 0.00 C ATOM 434 CZ TYR E 18 122.432 6.237 0.913 1.00 0.00 C ATOM 435 OH TYR E 18 122.694 5.916 2.230 1.00 0.00 O ATOM 0 H TYR E 18 122.990 5.700 -5.055 1.00 0.00 H new ATOM 0 HA TYR E 18 120.593 5.370 -3.324 1.00 0.00 H new ATOM 0 HB2 TYR E 18 122.512 7.699 -3.636 1.00 0.00 H new ATOM 0 HB3 TYR E 18 120.832 7.991 -3.229 1.00 0.00 H new ATOM 0 HD1 TYR E 18 123.802 5.958 -2.187 1.00 0.00 H new ATOM 0 HD2 TYR E 18 120.079 7.739 -1.021 1.00 0.00 H new ATOM 0 HE1 TYR E 18 124.265 5.382 0.173 1.00 0.00 H new ATOM 0 HE2 TYR E 18 120.532 7.163 1.340 1.00 0.00 H new ATOM 0 HH TYR E 18 122.411 6.654 2.809 1.00 0.00 H new ATOM 445 N LEU E 19 119.150 6.034 -5.280 1.00 0.00 N ATOM 446 CA LEU E 19 118.308 6.373 -6.441 1.00 0.00 C ATOM 447 C LEU E 19 117.089 7.218 -6.002 1.00 0.00 C ATOM 448 O LEU E 19 115.940 6.864 -6.290 1.00 0.00 O ATOM 449 CB LEU E 19 117.817 5.091 -7.163 1.00 0.00 C ATOM 450 CG LEU E 19 118.984 4.130 -7.489 1.00 0.00 C ATOM 451 CD1 LEU E 19 118.439 2.747 -7.888 1.00 0.00 C ATOM 452 CD2 LEU E 19 119.842 4.686 -8.640 1.00 0.00 C ATOM 0 H LEU E 19 118.667 5.518 -4.545 1.00 0.00 H new ATOM 0 HA LEU E 19 118.917 6.955 -7.133 1.00 0.00 H new ATOM 0 HB2 LEU E 19 117.088 4.578 -6.536 1.00 0.00 H new ATOM 0 HB3 LEU E 19 117.306 5.367 -8.085 1.00 0.00 H new ATOM 0 HG LEU E 19 119.602 4.036 -6.596 1.00 0.00 H new ATOM 0 HD11 LEU E 19 119.271 2.080 -8.115 1.00 0.00 H new ATOM 0 HD12 LEU E 19 117.857 2.334 -7.064 1.00 0.00 H new ATOM 0 HD13 LEU E 19 117.803 2.846 -8.768 1.00 0.00 H new ATOM 0 HD21 LEU E 19 120.657 3.994 -8.853 1.00 0.00 H new ATOM 0 HD22 LEU E 19 119.224 4.804 -9.530 1.00 0.00 H new ATOM 0 HD23 LEU E 19 120.253 5.654 -8.353 1.00 0.00 H new ATOM 464 N PRO E 20 117.310 8.339 -5.333 1.00 0.00 N ATOM 465 CA PRO E 20 116.195 9.236 -4.882 1.00 0.00 C ATOM 466 C PRO E 20 115.426 9.802 -6.070 1.00 0.00 C ATOM 467 O PRO E 20 114.308 10.304 -5.920 1.00 0.00 O ATOM 468 CB PRO E 20 116.902 10.366 -4.114 1.00 0.00 C ATOM 469 CG PRO E 20 118.323 10.330 -4.568 1.00 0.00 C ATOM 470 CD PRO E 20 118.623 8.880 -4.937 1.00 0.00 C ATOM 0 HA PRO E 20 115.464 8.704 -4.274 1.00 0.00 H new ATOM 0 HB2 PRO E 20 116.446 11.332 -4.330 1.00 0.00 H new ATOM 0 HB3 PRO E 20 116.830 10.213 -3.037 1.00 0.00 H new ATOM 0 HG2 PRO E 20 118.473 10.987 -5.424 1.00 0.00 H new ATOM 0 HG3 PRO E 20 118.991 10.676 -3.779 1.00 0.00 H new ATOM 0 HD2 PRO E 20 119.344 8.816 -5.752 1.00 0.00 H new ATOM 0 HD3 PRO E 20 119.044 8.332 -4.094 1.00 0.00 H new ATOM 478 N ASN E 21 116.060 9.740 -7.240 1.00 0.00 N ATOM 479 CA ASN E 21 115.482 10.269 -8.469 1.00 0.00 C ATOM 480 C ASN E 21 114.562 9.257 -9.156 1.00 0.00 C ATOM 481 O ASN E 21 113.950 9.583 -10.174 1.00 0.00 O ATOM 482 CB ASN E 21 116.621 10.659 -9.422 1.00 0.00 C ATOM 483 CG ASN E 21 117.514 11.731 -8.787 1.00 0.00 C ATOM 484 OD1 ASN E 21 117.042 12.560 -8.005 1.00 0.00 O ATOM 485 ND2 ASN E 21 118.784 11.770 -9.085 1.00 0.00 N ATOM 0 H ASN E 21 116.983 9.324 -7.360 1.00 0.00 H new ATOM 0 HA ASN E 21 114.876 11.138 -8.214 1.00 0.00 H new ATOM 0 HB2 ASN E 21 117.217 9.779 -9.664 1.00 0.00 H new ATOM 0 HB3 ASN E 21 116.207 11.032 -10.359 1.00 0.00 H new ATOM 0 HD21 ASN E 21 119.383 12.485 -8.672 1.00 0.00 H new ATOM 0 HD22 ASN E 21 119.177 11.086 -9.731 1.00 0.00 H new ATOM 492 N LEU E 22 114.467 8.037 -8.607 1.00 0.00 N ATOM 493 CA LEU E 22 113.618 7.001 -9.201 1.00 0.00 C ATOM 494 C LEU E 22 112.274 6.921 -8.491 1.00 0.00 C ATOM 495 O LEU E 22 112.205 6.901 -7.259 1.00 0.00 O ATOM 496 CB LEU E 22 114.336 5.647 -9.140 1.00 0.00 C ATOM 497 CG LEU E 22 115.215 5.451 -10.395 1.00 0.00 C ATOM 498 CD1 LEU E 22 116.179 6.638 -10.585 1.00 0.00 C ATOM 499 CD2 LEU E 22 116.011 4.139 -10.258 1.00 0.00 C ATOM 0 H LEU E 22 114.962 7.748 -7.763 1.00 0.00 H new ATOM 0 HA LEU E 22 113.430 7.262 -10.243 1.00 0.00 H new ATOM 0 HB2 LEU E 22 114.953 5.595 -8.243 1.00 0.00 H new ATOM 0 HB3 LEU E 22 113.604 4.842 -9.071 1.00 0.00 H new ATOM 0 HG LEU E 22 114.569 5.400 -11.272 1.00 0.00 H new ATOM 0 HD11 LEU E 22 116.786 6.475 -11.475 1.00 0.00 H new ATOM 0 HD12 LEU E 22 115.605 7.558 -10.701 1.00 0.00 H new ATOM 0 HD13 LEU E 22 116.828 6.722 -9.714 1.00 0.00 H new ATOM 0 HD21 LEU E 22 116.633 3.997 -11.142 1.00 0.00 H new ATOM 0 HD22 LEU E 22 116.645 4.189 -9.373 1.00 0.00 H new ATOM 0 HD23 LEU E 22 115.319 3.302 -10.163 1.00 0.00 H new ATOM 511 N ASN E 23 111.211 6.870 -9.294 1.00 0.00 N ATOM 512 CA ASN E 23 109.843 6.785 -8.769 1.00 0.00 C ATOM 513 C ASN E 23 109.591 5.385 -8.198 1.00 0.00 C ATOM 514 O ASN E 23 110.352 4.460 -8.484 1.00 0.00 O ATOM 515 CB ASN E 23 108.821 7.081 -9.886 1.00 0.00 C ATOM 516 CG ASN E 23 109.373 8.118 -10.864 1.00 0.00 C ATOM 517 OD1 ASN E 23 109.981 7.757 -11.871 1.00 0.00 O ATOM 518 ND2 ASN E 23 109.203 9.387 -10.624 1.00 0.00 N ATOM 0 H ASN E 23 111.268 6.886 -10.312 1.00 0.00 H new ATOM 0 HA ASN E 23 109.726 7.525 -7.978 1.00 0.00 H new ATOM 0 HB2 ASN E 23 108.582 6.161 -10.420 1.00 0.00 H new ATOM 0 HB3 ASN E 23 107.892 7.446 -9.448 1.00 0.00 H new ATOM 0 HD21 ASN E 23 109.574 10.083 -11.271 1.00 0.00 H new ATOM 0 HD22 ASN E 23 108.699 9.685 -9.789 1.00 0.00 H new ATOM 525 N PRO E 24 108.539 5.200 -7.410 1.00 0.00 N ATOM 526 CA PRO E 24 108.212 3.861 -6.820 1.00 0.00 C ATOM 527 C PRO E 24 108.098 2.799 -7.909 1.00 0.00 C ATOM 528 O PRO E 24 108.472 1.641 -7.707 1.00 0.00 O ATOM 529 CB PRO E 24 106.867 4.080 -6.110 1.00 0.00 C ATOM 530 CG PRO E 24 106.781 5.551 -5.869 1.00 0.00 C ATOM 531 CD PRO E 24 107.558 6.223 -7.000 1.00 0.00 C ATOM 0 HA PRO E 24 108.984 3.503 -6.139 1.00 0.00 H new ATOM 0 HB2 PRO E 24 106.037 3.734 -6.725 1.00 0.00 H new ATOM 0 HB3 PRO E 24 106.822 3.525 -5.173 1.00 0.00 H new ATOM 0 HG2 PRO E 24 105.743 5.883 -5.861 1.00 0.00 H new ATOM 0 HG3 PRO E 24 107.206 5.811 -4.899 1.00 0.00 H new ATOM 0 HD2 PRO E 24 106.902 6.502 -7.825 1.00 0.00 H new ATOM 0 HD3 PRO E 24 108.049 7.135 -6.661 1.00 0.00 H new ATOM 539 N ASP E 25 107.607 3.227 -9.073 1.00 0.00 N ATOM 540 CA ASP E 25 107.474 2.334 -10.221 1.00 0.00 C ATOM 541 C ASP E 25 108.860 1.904 -10.692 1.00 0.00 C ATOM 542 O ASP E 25 109.125 0.717 -10.891 1.00 0.00 O ATOM 543 CB ASP E 25 106.755 3.060 -11.366 1.00 0.00 C ATOM 544 CG ASP E 25 105.342 3.472 -10.936 1.00 0.00 C ATOM 545 OD1 ASP E 25 104.533 2.589 -10.699 1.00 0.00 O ATOM 546 OD2 ASP E 25 105.089 4.665 -10.855 1.00 0.00 O ATOM 0 H ASP E 25 107.296 4.183 -9.244 1.00 0.00 H new ATOM 0 HA ASP E 25 106.895 1.458 -9.928 1.00 0.00 H new ATOM 0 HB2 ASP E 25 107.324 3.942 -11.660 1.00 0.00 H new ATOM 0 HB3 ASP E 25 106.701 2.410 -12.240 1.00 0.00 H new ATOM 551 N GLN E 26 109.742 2.892 -10.860 1.00 0.00 N ATOM 552 CA GLN E 26 111.104 2.635 -11.302 1.00 0.00 C ATOM 553 C GLN E 26 111.852 1.781 -10.276 1.00 0.00 C ATOM 554 O GLN E 26 112.531 0.818 -10.648 1.00 0.00 O ATOM 555 CB GLN E 26 111.830 3.971 -11.509 1.00 0.00 C ATOM 556 CG GLN E 26 111.198 4.741 -12.681 1.00 0.00 C ATOM 557 CD GLN E 26 111.425 3.994 -13.994 1.00 0.00 C ATOM 558 OE1 GLN E 26 110.475 3.709 -14.724 1.00 0.00 O ATOM 559 NE2 GLN E 26 112.636 3.656 -14.338 1.00 0.00 N ATOM 0 H GLN E 26 109.532 3.876 -10.695 1.00 0.00 H new ATOM 0 HA GLN E 26 111.075 2.086 -12.243 1.00 0.00 H new ATOM 0 HB2 GLN E 26 111.774 4.569 -10.599 1.00 0.00 H new ATOM 0 HB3 GLN E 26 112.887 3.792 -11.709 1.00 0.00 H new ATOM 0 HG2 GLN E 26 110.129 4.867 -12.507 1.00 0.00 H new ATOM 0 HG3 GLN E 26 111.631 5.739 -12.744 1.00 0.00 H new ATOM 0 HE21 GLN E 26 113.423 3.892 -13.733 1.00 0.00 H new ATOM 0 HE22 GLN E 26 112.797 3.155 -15.212 1.00 0.00 H new ATOM 568 N LEU E 27 111.720 2.126 -8.987 1.00 0.00 N ATOM 569 CA LEU E 27 112.390 1.362 -7.932 1.00 0.00 C ATOM 570 C LEU E 27 111.833 -0.060 -7.876 1.00 0.00 C ATOM 571 O LEU E 27 112.592 -1.020 -7.770 1.00 0.00 O ATOM 572 CB LEU E 27 112.221 2.043 -6.563 1.00 0.00 C ATOM 573 CG LEU E 27 112.896 3.430 -6.561 1.00 0.00 C ATOM 574 CD1 LEU E 27 112.628 4.141 -5.228 1.00 0.00 C ATOM 575 CD2 LEU E 27 114.417 3.290 -6.752 1.00 0.00 C ATOM 0 H LEU E 27 111.165 2.915 -8.656 1.00 0.00 H new ATOM 0 HA LEU E 27 113.454 1.323 -8.168 1.00 0.00 H new ATOM 0 HB2 LEU E 27 111.161 2.148 -6.331 1.00 0.00 H new ATOM 0 HB3 LEU E 27 112.658 1.419 -5.784 1.00 0.00 H new ATOM 0 HG LEU E 27 112.480 4.013 -7.383 1.00 0.00 H new ATOM 0 HD11 LEU E 27 113.108 5.120 -5.235 1.00 0.00 H new ATOM 0 HD12 LEU E 27 111.554 4.265 -5.091 1.00 0.00 H new ATOM 0 HD13 LEU E 27 113.032 3.544 -4.410 1.00 0.00 H new ATOM 0 HD21 LEU E 27 114.877 4.278 -6.748 1.00 0.00 H new ATOM 0 HD22 LEU E 27 114.832 2.693 -5.940 1.00 0.00 H new ATOM 0 HD23 LEU E 27 114.621 2.799 -7.704 1.00 0.00 H new ATOM 587 N CYS E 28 110.504 -0.184 -7.965 1.00 0.00 N ATOM 588 CA CYS E 28 109.855 -1.499 -7.935 1.00 0.00 C ATOM 589 C CYS E 28 110.284 -2.330 -9.147 1.00 0.00 C ATOM 590 O CYS E 28 110.536 -3.532 -9.025 1.00 0.00 O ATOM 591 CB CYS E 28 108.329 -1.338 -7.922 1.00 0.00 C ATOM 592 SG CYS E 28 107.543 -2.964 -7.776 1.00 0.00 S ATOM 0 H CYS E 28 109.862 0.603 -8.058 1.00 0.00 H new ATOM 0 HA CYS E 28 110.162 -2.017 -7.027 1.00 0.00 H new ATOM 0 HB2 CYS E 28 108.028 -0.702 -7.089 1.00 0.00 H new ATOM 0 HB3 CYS E 28 107.998 -0.844 -8.836 1.00 0.00 H new ATOM 597 N ALA E 29 110.374 -1.672 -10.310 1.00 0.00 N ATOM 598 CA ALA E 29 110.784 -2.344 -11.546 1.00 0.00 C ATOM 599 C ALA E 29 112.211 -2.867 -11.411 1.00 0.00 C ATOM 600 O ALA E 29 112.505 -4.016 -11.759 1.00 0.00 O ATOM 601 CB ALA E 29 110.718 -1.350 -12.714 1.00 0.00 C ATOM 0 H ALA E 29 110.169 -0.679 -10.419 1.00 0.00 H new ATOM 0 HA ALA E 29 110.112 -3.181 -11.734 1.00 0.00 H new ATOM 0 HB1 ALA E 29 111.023 -1.849 -13.634 1.00 0.00 H new ATOM 0 HB2 ALA E 29 109.698 -0.982 -12.822 1.00 0.00 H new ATOM 0 HB3 ALA E 29 111.387 -0.512 -12.517 1.00 0.00 H new ATOM 607 N PHE E 30 113.084 -2.007 -10.888 1.00 0.00 N ATOM 608 CA PHE E 30 114.488 -2.347 -10.676 1.00 0.00 C ATOM 609 C PHE E 30 114.615 -3.452 -9.626 1.00 0.00 C ATOM 610 O PHE E 30 115.295 -4.449 -9.845 1.00 0.00 O ATOM 611 CB PHE E 30 115.229 -1.073 -10.230 1.00 0.00 C ATOM 612 CG PHE E 30 116.660 -1.370 -9.814 1.00 0.00 C ATOM 613 CD1 PHE E 30 117.570 -1.924 -10.725 1.00 0.00 C ATOM 614 CD2 PHE E 30 117.077 -1.067 -8.511 1.00 0.00 C ATOM 615 CE1 PHE E 30 118.891 -2.174 -10.326 1.00 0.00 C ATOM 616 CE2 PHE E 30 118.398 -1.314 -8.120 1.00 0.00 C ATOM 617 CZ PHE E 30 119.303 -1.867 -9.025 1.00 0.00 C ATOM 0 H PHE E 30 112.838 -1.060 -10.601 1.00 0.00 H new ATOM 0 HA PHE E 30 114.929 -2.722 -11.599 1.00 0.00 H new ATOM 0 HB2 PHE E 30 115.230 -0.349 -11.045 1.00 0.00 H new ATOM 0 HB3 PHE E 30 114.696 -0.615 -9.397 1.00 0.00 H new ATOM 0 HD1 PHE E 30 117.255 -2.158 -11.731 1.00 0.00 H new ATOM 0 HD2 PHE E 30 116.377 -0.642 -7.807 1.00 0.00 H new ATOM 0 HE1 PHE E 30 119.592 -2.605 -11.025 1.00 0.00 H new ATOM 0 HE2 PHE E 30 118.717 -1.076 -7.116 1.00 0.00 H new ATOM 0 HZ PHE E 30 120.322 -2.058 -8.722 1.00 0.00 H new ATOM 627 N ILE E 31 113.952 -3.251 -8.490 1.00 0.00 N ATOM 628 CA ILE E 31 113.974 -4.206 -7.379 1.00 0.00 C ATOM 629 C ILE E 31 113.452 -5.591 -7.785 1.00 0.00 C ATOM 630 O ILE E 31 113.976 -6.607 -7.320 1.00 0.00 O ATOM 631 CB ILE E 31 113.144 -3.615 -6.219 1.00 0.00 C ATOM 632 CG1 ILE E 31 113.955 -2.497 -5.555 1.00 0.00 C ATOM 633 CG2 ILE E 31 112.800 -4.666 -5.155 1.00 0.00 C ATOM 634 CD1 ILE E 31 113.064 -1.697 -4.601 1.00 0.00 C ATOM 0 H ILE E 31 113.384 -2.423 -8.311 1.00 0.00 H new ATOM 0 HA ILE E 31 115.007 -4.359 -7.065 1.00 0.00 H new ATOM 0 HB ILE E 31 112.209 -3.240 -6.635 1.00 0.00 H new ATOM 0 HG12 ILE E 31 114.796 -2.923 -5.008 1.00 0.00 H new ATOM 0 HG13 ILE E 31 114.371 -1.837 -6.316 1.00 0.00 H new ATOM 0 HG21 ILE E 31 112.216 -4.202 -4.360 1.00 0.00 H new ATOM 0 HG22 ILE E 31 112.220 -5.468 -5.610 1.00 0.00 H new ATOM 0 HG23 ILE E 31 113.720 -5.075 -4.737 1.00 0.00 H new ATOM 0 HD11 ILE E 31 113.650 -0.905 -4.134 1.00 0.00 H new ATOM 0 HD12 ILE E 31 112.237 -1.257 -5.158 1.00 0.00 H new ATOM 0 HD13 ILE E 31 112.670 -2.359 -3.830 1.00 0.00 H new ATOM 646 N HIS E 32 112.422 -5.633 -8.633 1.00 0.00 N ATOM 647 CA HIS E 32 111.852 -6.912 -9.060 1.00 0.00 C ATOM 648 C HIS E 32 112.864 -7.692 -9.897 1.00 0.00 C ATOM 649 O HIS E 32 113.119 -8.873 -9.646 1.00 0.00 O ATOM 650 CB HIS E 32 110.572 -6.668 -9.874 1.00 0.00 C ATOM 651 CG HIS E 32 109.890 -7.980 -10.168 1.00 0.00 C ATOM 652 ND1 HIS E 32 110.108 -8.680 -11.346 1.00 0.00 N ATOM 653 CD2 HIS E 32 108.995 -8.733 -9.447 1.00 0.00 C ATOM 654 CE1 HIS E 32 109.360 -9.797 -11.299 1.00 0.00 C ATOM 655 NE2 HIS E 32 108.662 -9.879 -10.163 1.00 0.00 N ATOM 0 H HIS E 32 111.971 -4.810 -9.032 1.00 0.00 H new ATOM 0 HA HIS E 32 111.606 -7.499 -8.175 1.00 0.00 H new ATOM 0 HB2 HIS E 32 109.898 -6.014 -9.320 1.00 0.00 H new ATOM 0 HB3 HIS E 32 110.816 -6.158 -10.806 1.00 0.00 H new ATOM 0 HD2 HIS E 32 108.608 -8.475 -8.472 1.00 0.00 H new ATOM 0 HE1 HIS E 32 109.328 -10.538 -12.084 1.00 0.00 H new ATOM 0 HE2 HIS E 32 108.022 -10.622 -9.881 1.00 0.00 H new ATOM 664 N SER E 33 113.425 -7.011 -10.893 1.00 0.00 N ATOM 665 CA SER E 33 114.407 -7.617 -11.790 1.00 0.00 C ATOM 666 C SER E 33 115.729 -7.895 -11.075 1.00 0.00 C ATOM 667 O SER E 33 116.366 -8.927 -11.308 1.00 0.00 O ATOM 668 CB SER E 33 114.639 -6.678 -12.975 1.00 0.00 C ATOM 669 OG SER E 33 115.503 -7.300 -13.920 1.00 0.00 O ATOM 0 H SER E 33 113.215 -6.035 -11.100 1.00 0.00 H new ATOM 0 HA SER E 33 114.017 -8.574 -12.137 1.00 0.00 H new ATOM 0 HB2 SER E 33 113.688 -6.430 -13.446 1.00 0.00 H new ATOM 0 HB3 SER E 33 115.077 -5.742 -12.629 1.00 0.00 H new ATOM 0 HG SER E 33 115.521 -6.771 -14.744 1.00 0.00 H new ATOM 675 N LEU E 34 116.131 -6.965 -10.205 1.00 0.00 N ATOM 676 CA LEU E 34 117.378 -7.083 -9.437 1.00 0.00 C ATOM 677 C LEU E 34 117.388 -8.380 -8.622 1.00 0.00 C ATOM 678 O LEU E 34 118.412 -9.064 -8.534 1.00 0.00 O ATOM 679 CB LEU E 34 117.497 -5.857 -8.505 1.00 0.00 C ATOM 680 CG LEU E 34 118.776 -5.907 -7.647 1.00 0.00 C ATOM 681 CD1 LEU E 34 120.015 -5.642 -8.522 1.00 0.00 C ATOM 682 CD2 LEU E 34 118.680 -4.835 -6.543 1.00 0.00 C ATOM 0 H LEU E 34 115.606 -6.112 -10.012 1.00 0.00 H new ATOM 0 HA LEU E 34 118.228 -7.113 -10.118 1.00 0.00 H new ATOM 0 HB2 LEU E 34 117.497 -4.946 -9.103 1.00 0.00 H new ATOM 0 HB3 LEU E 34 116.625 -5.811 -7.853 1.00 0.00 H new ATOM 0 HG LEU E 34 118.872 -6.895 -7.198 1.00 0.00 H new ATOM 0 HD11 LEU E 34 120.912 -5.680 -7.904 1.00 0.00 H new ATOM 0 HD12 LEU E 34 120.079 -6.401 -9.301 1.00 0.00 H new ATOM 0 HD13 LEU E 34 119.932 -4.657 -8.981 1.00 0.00 H new ATOM 0 HD21 LEU E 34 119.581 -4.862 -5.930 1.00 0.00 H new ATOM 0 HD22 LEU E 34 118.582 -3.850 -7.000 1.00 0.00 H new ATOM 0 HD23 LEU E 34 117.810 -5.034 -5.918 1.00 0.00 H new ATOM 694 N HIS E 35 116.237 -8.697 -8.037 1.00 0.00 N ATOM 695 CA HIS E 35 116.090 -9.900 -7.227 1.00 0.00 C ATOM 696 C HIS E 35 115.829 -11.134 -8.102 1.00 0.00 C ATOM 697 O HIS E 35 116.153 -12.258 -7.706 1.00 0.00 O ATOM 698 CB HIS E 35 114.934 -9.704 -6.243 1.00 0.00 C ATOM 699 CG HIS E 35 115.151 -10.576 -5.028 1.00 0.00 C ATOM 700 ND1 HIS E 35 115.427 -11.929 -5.133 1.00 0.00 N ATOM 701 CD2 HIS E 35 115.145 -10.300 -3.681 1.00 0.00 C ATOM 702 CE1 HIS E 35 115.572 -12.415 -3.887 1.00 0.00 C ATOM 703 NE2 HIS E 35 115.411 -11.462 -2.963 1.00 0.00 N ATOM 0 H HIS E 35 115.389 -8.134 -8.110 1.00 0.00 H new ATOM 0 HA HIS E 35 117.019 -10.068 -6.683 1.00 0.00 H new ATOM 0 HB2 HIS E 35 114.870 -8.657 -5.945 1.00 0.00 H new ATOM 0 HB3 HIS E 35 113.988 -9.958 -6.722 1.00 0.00 H new ATOM 0 HD1 HIS E 35 115.506 -12.461 -5.999 1.00 0.00 H new ATOM 0 HD2 HIS E 35 114.962 -9.329 -3.246 1.00 0.00 H new ATOM 0 HE1 HIS E 35 115.791 -13.448 -3.661 1.00 0.00 H new ATOM 712 N ASP E 36 115.231 -10.917 -9.283 1.00 0.00 N ATOM 713 CA ASP E 36 114.912 -12.016 -10.207 1.00 0.00 C ATOM 714 C ASP E 36 116.154 -12.848 -10.543 1.00 0.00 C ATOM 715 O ASP E 36 116.073 -14.075 -10.649 1.00 0.00 O ATOM 716 CB ASP E 36 114.303 -11.456 -11.499 1.00 0.00 C ATOM 717 CG ASP E 36 113.800 -12.598 -12.385 1.00 0.00 C ATOM 718 OD1 ASP E 36 112.687 -13.048 -12.164 1.00 0.00 O ATOM 719 OD2 ASP E 36 114.536 -13.009 -13.269 1.00 0.00 O ATOM 0 H ASP E 36 114.959 -9.994 -9.620 1.00 0.00 H new ATOM 0 HA ASP E 36 114.191 -12.667 -9.712 1.00 0.00 H new ATOM 0 HB2 ASP E 36 113.480 -10.782 -11.260 1.00 0.00 H new ATOM 0 HB3 ASP E 36 115.048 -10.870 -12.037 1.00 0.00 H new ATOM 724 N ASP E 37 117.299 -12.173 -10.704 1.00 0.00 N ATOM 725 CA ASP E 37 118.555 -12.856 -11.023 1.00 0.00 C ATOM 726 C ASP E 37 119.757 -12.007 -10.571 1.00 0.00 C ATOM 727 O ASP E 37 120.200 -11.111 -11.299 1.00 0.00 O ATOM 728 CB ASP E 37 118.638 -13.139 -12.534 1.00 0.00 C ATOM 729 CG ASP E 37 119.616 -14.289 -12.816 1.00 0.00 C ATOM 730 OD1 ASP E 37 120.719 -14.257 -12.288 1.00 0.00 O ATOM 731 OD2 ASP E 37 119.246 -15.187 -13.557 1.00 0.00 O ATOM 0 H ASP E 37 117.380 -11.160 -10.619 1.00 0.00 H new ATOM 0 HA ASP E 37 118.581 -13.805 -10.488 1.00 0.00 H new ATOM 0 HB2 ASP E 37 117.650 -13.393 -12.917 1.00 0.00 H new ATOM 0 HB3 ASP E 37 118.962 -12.241 -13.060 1.00 0.00 H new ATOM 736 N PRO E 38 120.278 -12.262 -9.382 1.00 0.00 N ATOM 737 CA PRO E 38 121.442 -11.498 -8.826 1.00 0.00 C ATOM 738 C PRO E 38 122.655 -11.503 -9.762 1.00 0.00 C ATOM 739 O PRO E 38 123.521 -10.633 -9.660 1.00 0.00 O ATOM 740 CB PRO E 38 121.763 -12.205 -7.503 1.00 0.00 C ATOM 741 CG PRO E 38 120.525 -12.951 -7.131 1.00 0.00 C ATOM 742 CD PRO E 38 119.817 -13.300 -8.439 1.00 0.00 C ATOM 0 HA PRO E 38 121.199 -10.443 -8.697 1.00 0.00 H new ATOM 0 HB2 PRO E 38 122.609 -12.883 -7.617 1.00 0.00 H new ATOM 0 HB3 PRO E 38 122.033 -11.485 -6.730 1.00 0.00 H new ATOM 0 HG2 PRO E 38 120.770 -13.853 -6.570 1.00 0.00 H new ATOM 0 HG3 PRO E 38 119.883 -12.343 -6.493 1.00 0.00 H new ATOM 0 HD2 PRO E 38 120.084 -14.299 -8.783 1.00 0.00 H new ATOM 0 HD3 PRO E 38 118.733 -13.282 -8.324 1.00 0.00 H new ATOM 750 N SER E 39 122.713 -12.485 -10.671 1.00 0.00 N ATOM 751 CA SER E 39 123.829 -12.582 -11.619 1.00 0.00 C ATOM 752 C SER E 39 123.898 -11.322 -12.487 1.00 0.00 C ATOM 753 O SER E 39 124.984 -10.856 -12.837 1.00 0.00 O ATOM 754 CB SER E 39 123.667 -13.813 -12.519 1.00 0.00 C ATOM 755 OG SER E 39 123.331 -14.944 -11.723 1.00 0.00 O ATOM 0 H SER E 39 122.008 -13.216 -10.769 1.00 0.00 H new ATOM 0 HA SER E 39 124.752 -12.679 -11.048 1.00 0.00 H new ATOM 0 HB2 SER E 39 122.889 -13.634 -13.261 1.00 0.00 H new ATOM 0 HB3 SER E 39 124.591 -14.001 -13.065 1.00 0.00 H new ATOM 0 HG SER E 39 122.356 -15.038 -11.682 1.00 0.00 H new ATOM 761 N GLN E 40 122.718 -10.786 -12.824 1.00 0.00 N ATOM 762 CA GLN E 40 122.613 -9.578 -13.652 1.00 0.00 C ATOM 763 C GLN E 40 122.520 -8.315 -12.788 1.00 0.00 C ATOM 764 O GLN E 40 122.207 -7.244 -13.299 1.00 0.00 O ATOM 765 CB GLN E 40 121.363 -9.667 -14.545 1.00 0.00 C ATOM 766 CG GLN E 40 121.502 -10.826 -15.537 1.00 0.00 C ATOM 767 CD GLN E 40 120.310 -10.846 -16.493 1.00 0.00 C ATOM 768 OE1 GLN E 40 120.254 -10.056 -17.435 1.00 0.00 O ATOM 769 NE2 GLN E 40 119.349 -11.708 -16.307 1.00 0.00 N ATOM 0 H GLN E 40 121.819 -11.172 -12.535 1.00 0.00 H new ATOM 0 HA GLN E 40 123.512 -9.514 -14.266 1.00 0.00 H new ATOM 0 HB2 GLN E 40 120.476 -9.811 -13.928 1.00 0.00 H new ATOM 0 HB3 GLN E 40 121.226 -8.731 -15.086 1.00 0.00 H new ATOM 0 HG2 GLN E 40 122.429 -10.722 -16.101 1.00 0.00 H new ATOM 0 HG3 GLN E 40 121.561 -11.771 -14.998 1.00 0.00 H new ATOM 0 HE21 GLN E 40 119.395 -12.363 -15.526 1.00 0.00 H new ATOM 0 HE22 GLN E 40 118.551 -11.727 -16.942 1.00 0.00 H new ATOM 778 N SER E 41 122.774 -8.443 -11.481 1.00 0.00 N ATOM 779 CA SER E 41 122.683 -7.294 -10.567 1.00 0.00 C ATOM 780 C SER E 41 123.553 -6.119 -11.025 1.00 0.00 C ATOM 781 O SER E 41 123.115 -4.966 -10.985 1.00 0.00 O ATOM 782 CB SER E 41 123.100 -7.715 -9.158 1.00 0.00 C ATOM 783 OG SER E 41 124.444 -8.182 -9.176 1.00 0.00 O ATOM 0 H SER E 41 123.042 -9.320 -11.034 1.00 0.00 H new ATOM 0 HA SER E 41 121.645 -6.961 -10.569 1.00 0.00 H new ATOM 0 HB2 SER E 41 123.007 -6.872 -8.473 1.00 0.00 H new ATOM 0 HB3 SER E 41 122.437 -8.499 -8.791 1.00 0.00 H new ATOM 0 HG SER E 41 124.454 -9.144 -9.363 1.00 0.00 H new ATOM 789 N ALA E 42 124.775 -6.413 -11.464 1.00 0.00 N ATOM 790 CA ALA E 42 125.680 -5.362 -11.923 1.00 0.00 C ATOM 791 C ALA E 42 125.128 -4.690 -13.180 1.00 0.00 C ATOM 792 O ALA E 42 125.089 -3.459 -13.269 1.00 0.00 O ATOM 793 CB ALA E 42 127.064 -5.952 -12.213 1.00 0.00 C ATOM 0 H ALA E 42 125.158 -7.357 -11.512 1.00 0.00 H new ATOM 0 HA ALA E 42 125.767 -4.612 -11.137 1.00 0.00 H new ATOM 0 HB1 ALA E 42 127.732 -5.162 -12.555 1.00 0.00 H new ATOM 0 HB2 ALA E 42 127.466 -6.400 -11.304 1.00 0.00 H new ATOM 0 HB3 ALA E 42 126.979 -6.715 -12.987 1.00 0.00 H new ATOM 799 N ASN E 43 124.701 -5.505 -14.149 1.00 0.00 N ATOM 800 CA ASN E 43 124.154 -4.978 -15.399 1.00 0.00 C ATOM 801 C ASN E 43 122.876 -4.185 -15.145 1.00 0.00 C ATOM 802 O ASN E 43 122.745 -3.053 -15.611 1.00 0.00 O ATOM 803 CB ASN E 43 123.860 -6.125 -16.374 1.00 0.00 C ATOM 804 CG ASN E 43 125.167 -6.705 -16.906 1.00 0.00 C ATOM 805 OD1 ASN E 43 125.474 -7.874 -16.671 1.00 0.00 O ATOM 806 ND2 ASN E 43 125.954 -5.952 -17.622 1.00 0.00 N ATOM 0 H ASN E 43 124.724 -6.523 -14.092 1.00 0.00 H new ATOM 0 HA ASN E 43 124.897 -4.311 -15.836 1.00 0.00 H new ATOM 0 HB2 ASN E 43 123.285 -6.903 -15.871 1.00 0.00 H new ATOM 0 HB3 ASN E 43 123.250 -5.763 -17.201 1.00 0.00 H new ATOM 0 HD21 ASN E 43 126.827 -6.331 -17.989 1.00 0.00 H new ATOM 0 HD22 ASN E 43 125.697 -4.984 -17.815 1.00 0.00 H new ATOM 813 N LEU E 44 121.943 -4.793 -14.403 1.00 0.00 N ATOM 814 CA LEU E 44 120.660 -4.156 -14.080 1.00 0.00 C ATOM 815 C LEU E 44 120.885 -2.833 -13.352 1.00 0.00 C ATOM 816 O LEU E 44 120.235 -1.828 -13.653 1.00 0.00 O ATOM 817 CB LEU E 44 119.816 -5.097 -13.203 1.00 0.00 C ATOM 818 CG LEU E 44 119.437 -6.361 -14.000 1.00 0.00 C ATOM 819 CD1 LEU E 44 118.957 -7.460 -13.042 1.00 0.00 C ATOM 820 CD2 LEU E 44 118.319 -6.032 -15.001 1.00 0.00 C ATOM 0 H LEU E 44 122.053 -5.729 -14.013 1.00 0.00 H new ATOM 0 HA LEU E 44 120.128 -3.955 -15.010 1.00 0.00 H new ATOM 0 HB2 LEU E 44 120.376 -5.374 -12.310 1.00 0.00 H new ATOM 0 HB3 LEU E 44 118.914 -4.584 -12.868 1.00 0.00 H new ATOM 0 HG LEU E 44 120.315 -6.713 -14.541 1.00 0.00 H new ATOM 0 HD11 LEU E 44 118.691 -8.350 -13.613 1.00 0.00 H new ATOM 0 HD12 LEU E 44 119.754 -7.704 -12.340 1.00 0.00 H new ATOM 0 HD13 LEU E 44 118.084 -7.108 -12.492 1.00 0.00 H new ATOM 0 HD21 LEU E 44 118.056 -6.930 -15.561 1.00 0.00 H new ATOM 0 HD22 LEU E 44 117.443 -5.671 -14.462 1.00 0.00 H new ATOM 0 HD23 LEU E 44 118.664 -5.262 -15.691 1.00 0.00 H new ATOM 832 N LEU E 45 121.824 -2.844 -12.408 1.00 0.00 N ATOM 833 CA LEU E 45 122.158 -1.643 -11.650 1.00 0.00 C ATOM 834 C LEU E 45 122.724 -0.577 -12.586 1.00 0.00 C ATOM 835 O LEU E 45 122.447 0.609 -12.411 1.00 0.00 O ATOM 836 CB LEU E 45 123.139 -2.011 -10.527 1.00 0.00 C ATOM 837 CG LEU E 45 123.581 -0.774 -9.718 1.00 0.00 C ATOM 838 CD1 LEU E 45 122.388 0.164 -9.398 1.00 0.00 C ATOM 839 CD2 LEU E 45 124.239 -1.252 -8.413 1.00 0.00 C ATOM 0 H LEU E 45 122.365 -3.670 -12.151 1.00 0.00 H new ATOM 0 HA LEU E 45 121.263 -1.224 -11.190 1.00 0.00 H new ATOM 0 HB2 LEU E 45 122.670 -2.733 -9.858 1.00 0.00 H new ATOM 0 HB3 LEU E 45 124.016 -2.496 -10.956 1.00 0.00 H new ATOM 0 HG LEU E 45 124.289 -0.201 -10.317 1.00 0.00 H new ATOM 0 HD11 LEU E 45 122.743 1.022 -8.827 1.00 0.00 H new ATOM 0 HD12 LEU E 45 121.936 0.508 -10.328 1.00 0.00 H new ATOM 0 HD13 LEU E 45 121.645 -0.379 -8.813 1.00 0.00 H new ATOM 0 HD21 LEU E 45 124.558 -0.389 -7.829 1.00 0.00 H new ATOM 0 HD22 LEU E 45 123.522 -1.836 -7.836 1.00 0.00 H new ATOM 0 HD23 LEU E 45 125.105 -1.871 -8.648 1.00 0.00 H new ATOM 851 N ALA E 46 123.484 -1.004 -13.600 1.00 0.00 N ATOM 852 CA ALA E 46 124.039 -0.060 -14.572 1.00 0.00 C ATOM 853 C ALA E 46 122.893 0.725 -15.212 1.00 0.00 C ATOM 854 O ALA E 46 123.012 1.922 -15.480 1.00 0.00 O ATOM 855 CB ALA E 46 124.822 -0.816 -15.655 1.00 0.00 C ATOM 0 H ALA E 46 123.725 -1.981 -13.767 1.00 0.00 H new ATOM 0 HA ALA E 46 124.719 0.626 -14.066 1.00 0.00 H new ATOM 0 HB1 ALA E 46 125.230 -0.104 -16.372 1.00 0.00 H new ATOM 0 HB2 ALA E 46 125.637 -1.373 -15.193 1.00 0.00 H new ATOM 0 HB3 ALA E 46 124.155 -1.508 -16.170 1.00 0.00 H new ATOM 861 N GLU E 47 121.777 0.021 -15.425 1.00 0.00 N ATOM 862 CA GLU E 47 120.575 0.616 -16.012 1.00 0.00 C ATOM 863 C GLU E 47 119.915 1.555 -15.028 1.00 0.00 C ATOM 864 O GLU E 47 119.423 2.616 -15.412 1.00 0.00 O ATOM 865 CB GLU E 47 119.551 -0.470 -16.360 1.00 0.00 C ATOM 866 CG GLU E 47 120.265 -1.700 -16.898 1.00 0.00 C ATOM 867 CD GLU E 47 119.287 -2.618 -17.642 1.00 0.00 C ATOM 868 OE1 GLU E 47 118.312 -3.036 -17.034 1.00 0.00 O ATOM 869 OE2 GLU E 47 119.529 -2.892 -18.807 1.00 0.00 O ATOM 0 H GLU E 47 121.682 -0.969 -15.197 1.00 0.00 H new ATOM 0 HA GLU E 47 120.883 1.153 -16.909 1.00 0.00 H new ATOM 0 HB2 GLU E 47 118.972 -0.733 -15.475 1.00 0.00 H new ATOM 0 HB3 GLU E 47 118.847 -0.094 -17.102 1.00 0.00 H new ATOM 0 HG2 GLU E 47 121.067 -1.395 -17.570 1.00 0.00 H new ATOM 0 HG3 GLU E 47 120.728 -2.245 -16.076 1.00 0.00 H new ATOM 876 N ALA E 48 119.887 1.140 -13.758 1.00 0.00 N ATOM 877 CA ALA E 48 119.259 1.939 -12.734 1.00 0.00 C ATOM 878 C ALA E 48 120.065 3.202 -12.512 1.00 0.00 C ATOM 879 O ALA E 48 119.507 4.264 -12.253 1.00 0.00 O ATOM 880 CB ALA E 48 119.104 1.156 -11.435 1.00 0.00 C ATOM 0 H ALA E 48 120.291 0.263 -13.429 1.00 0.00 H new ATOM 0 HA ALA E 48 118.257 2.209 -13.068 1.00 0.00 H new ATOM 0 HB1 ALA E 48 118.628 1.787 -10.685 1.00 0.00 H new ATOM 0 HB2 ALA E 48 118.488 0.275 -11.613 1.00 0.00 H new ATOM 0 HB3 ALA E 48 120.086 0.846 -11.078 1.00 0.00 H new ATOM 886 N LYS E 49 121.387 3.079 -12.640 1.00 0.00 N ATOM 887 CA LYS E 49 122.255 4.229 -12.482 1.00 0.00 C ATOM 888 C LYS E 49 122.038 5.173 -13.651 1.00 0.00 C ATOM 889 O LYS E 49 121.921 6.386 -13.465 1.00 0.00 O ATOM 890 CB LYS E 49 123.716 3.796 -12.370 1.00 0.00 C ATOM 891 CG LYS E 49 124.013 3.423 -10.918 1.00 0.00 C ATOM 892 CD LYS E 49 125.088 2.347 -10.888 1.00 0.00 C ATOM 893 CE LYS E 49 125.330 1.904 -9.461 1.00 0.00 C ATOM 894 NZ LYS E 49 126.273 2.852 -8.797 1.00 0.00 N ATOM 0 H LYS E 49 121.868 2.204 -12.850 1.00 0.00 H new ATOM 0 HA LYS E 49 122.009 4.751 -11.557 1.00 0.00 H new ATOM 0 HB2 LYS E 49 123.908 2.946 -13.024 1.00 0.00 H new ATOM 0 HB3 LYS E 49 124.374 4.602 -12.694 1.00 0.00 H new ATOM 0 HG2 LYS E 49 124.345 4.302 -10.365 1.00 0.00 H new ATOM 0 HG3 LYS E 49 123.107 3.063 -10.430 1.00 0.00 H new ATOM 0 HD2 LYS E 49 124.781 1.496 -11.496 1.00 0.00 H new ATOM 0 HD3 LYS E 49 126.012 2.731 -11.321 1.00 0.00 H new ATOM 0 HE2 LYS E 49 124.387 1.870 -8.915 1.00 0.00 H new ATOM 0 HE3 LYS E 49 125.743 0.895 -9.447 1.00 0.00 H new ATOM 0 HZ1 LYS E 49 126.825 2.345 -8.076 1.00 0.00 H new ATOM 0 HZ2 LYS E 49 126.918 3.255 -9.507 1.00 0.00 H new ATOM 0 HZ3 LYS E 49 125.734 3.618 -8.345 1.00 0.00 H new ATOM 908 N LYS E 50 121.908 4.601 -14.854 1.00 0.00 N ATOM 909 CA LYS E 50 121.609 5.403 -16.030 1.00 0.00 C ATOM 910 C LYS E 50 120.240 6.046 -15.808 1.00 0.00 C ATOM 911 O LYS E 50 119.979 7.157 -16.264 1.00 0.00 O ATOM 912 CB LYS E 50 121.611 4.525 -17.285 1.00 0.00 C ATOM 913 CG LYS E 50 123.062 4.146 -17.651 1.00 0.00 C ATOM 914 CD LYS E 50 123.099 2.835 -18.461 1.00 0.00 C ATOM 915 CE LYS E 50 122.298 2.975 -19.761 1.00 0.00 C ATOM 916 NZ LYS E 50 122.933 4.004 -20.636 1.00 0.00 N ATOM 0 H LYS E 50 122.005 3.601 -15.030 1.00 0.00 H new ATOM 0 HA LYS E 50 122.364 6.175 -16.177 1.00 0.00 H new ATOM 0 HB2 LYS E 50 121.022 3.624 -17.112 1.00 0.00 H new ATOM 0 HB3 LYS E 50 121.144 5.057 -18.114 1.00 0.00 H new ATOM 0 HG2 LYS E 50 123.517 4.949 -18.230 1.00 0.00 H new ATOM 0 HG3 LYS E 50 123.653 4.034 -16.742 1.00 0.00 H new ATOM 0 HD2 LYS E 50 124.132 2.574 -18.691 1.00 0.00 H new ATOM 0 HD3 LYS E 50 122.690 2.021 -17.863 1.00 0.00 H new ATOM 0 HE2 LYS E 50 122.258 2.017 -20.280 1.00 0.00 H new ATOM 0 HE3 LYS E 50 121.270 3.259 -19.537 1.00 0.00 H new ATOM 0 HZ1 LYS E 50 122.541 3.932 -21.597 1.00 0.00 H new ATOM 0 HZ2 LYS E 50 122.740 4.952 -20.253 1.00 0.00 H new ATOM 0 HZ3 LYS E 50 123.960 3.846 -20.668 1.00 0.00 H new ATOM 930 N LEU E 51 119.395 5.327 -15.045 1.00 0.00 N ATOM 931 CA LEU E 51 118.061 5.804 -14.678 1.00 0.00 C ATOM 932 C LEU E 51 118.210 6.951 -13.680 1.00 0.00 C ATOM 933 O LEU E 51 117.495 7.954 -13.756 1.00 0.00 O ATOM 934 CB LEU E 51 117.275 4.659 -14.017 1.00 0.00 C ATOM 935 CG LEU E 51 115.966 4.330 -14.744 1.00 0.00 C ATOM 936 CD1 LEU E 51 114.973 5.499 -14.635 1.00 0.00 C ATOM 937 CD2 LEU E 51 116.236 3.992 -16.223 1.00 0.00 C ATOM 0 H LEU E 51 119.622 4.406 -14.671 1.00 0.00 H new ATOM 0 HA LEU E 51 117.529 6.145 -15.566 1.00 0.00 H new ATOM 0 HB2 LEU E 51 117.901 3.767 -13.986 1.00 0.00 H new ATOM 0 HB3 LEU E 51 117.052 4.928 -12.984 1.00 0.00 H new ATOM 0 HG LEU E 51 115.523 3.457 -14.265 1.00 0.00 H new ATOM 0 HD11 LEU E 51 114.051 5.244 -15.158 1.00 0.00 H new ATOM 0 HD12 LEU E 51 114.753 5.693 -13.585 1.00 0.00 H new ATOM 0 HD13 LEU E 51 115.410 6.391 -15.084 1.00 0.00 H new ATOM 0 HD21 LEU E 51 115.294 3.761 -16.721 1.00 0.00 H new ATOM 0 HD22 LEU E 51 116.706 4.846 -16.712 1.00 0.00 H new ATOM 0 HD23 LEU E 51 116.899 3.129 -16.284 1.00 0.00 H new ATOM 949 N ASN E 52 119.167 6.784 -12.748 1.00 0.00 N ATOM 950 CA ASN E 52 119.452 7.796 -11.731 1.00 0.00 C ATOM 951 C ASN E 52 119.774 9.115 -12.425 1.00 0.00 C ATOM 952 O ASN E 52 119.337 10.186 -11.996 1.00 0.00 O ATOM 953 CB ASN E 52 120.638 7.349 -10.840 1.00 0.00 C ATOM 954 CG ASN E 52 120.840 8.353 -9.709 1.00 0.00 C ATOM 955 OD1 ASN E 52 121.916 8.935 -9.577 1.00 0.00 O ATOM 956 ND2 ASN E 52 119.860 8.602 -8.889 1.00 0.00 N ATOM 0 H ASN E 52 119.754 5.952 -12.684 1.00 0.00 H new ATOM 0 HA ASN E 52 118.580 7.925 -11.090 1.00 0.00 H new ATOM 0 HB2 ASN E 52 120.443 6.358 -10.429 1.00 0.00 H new ATOM 0 HB3 ASN E 52 121.546 7.273 -11.438 1.00 0.00 H new ATOM 0 HD21 ASN E 52 119.984 9.280 -8.137 1.00 0.00 H new ATOM 0 HD22 ASN E 52 118.968 8.119 -8.999 1.00 0.00 H new ATOM 963 N ASP E 53 120.513 9.000 -13.529 1.00 0.00 N ATOM 964 CA ASP E 53 120.879 10.153 -14.346 1.00 0.00 C ATOM 965 C ASP E 53 119.711 10.544 -15.263 1.00 0.00 C ATOM 966 O ASP E 53 119.546 11.714 -15.614 1.00 0.00 O ATOM 967 CB ASP E 53 122.117 9.828 -15.199 1.00 0.00 C ATOM 968 CG ASP E 53 123.330 9.540 -14.306 1.00 0.00 C ATOM 969 OD1 ASP E 53 123.753 10.443 -13.599 1.00 0.00 O ATOM 970 OD2 ASP E 53 123.821 8.423 -14.344 1.00 0.00 O ATOM 0 H ASP E 53 120.871 8.111 -13.878 1.00 0.00 H new ATOM 0 HA ASP E 53 121.110 10.988 -13.684 1.00 0.00 H new ATOM 0 HB2 ASP E 53 121.912 8.965 -15.832 1.00 0.00 H new ATOM 0 HB3 ASP E 53 122.338 10.664 -15.862 1.00 0.00 H new ATOM 975 N ALA E 54 118.920 9.539 -15.661 1.00 0.00 N ATOM 976 CA ALA E 54 117.771 9.752 -16.554 1.00 0.00 C ATOM 977 C ALA E 54 116.669 10.566 -15.876 1.00 0.00 C ATOM 978 O ALA E 54 115.882 11.232 -16.555 1.00 0.00 O ATOM 979 CB ALA E 54 117.186 8.400 -16.997 1.00 0.00 C ATOM 0 H ALA E 54 119.054 8.568 -15.379 1.00 0.00 H new ATOM 0 HA ALA E 54 118.134 10.309 -17.418 1.00 0.00 H new ATOM 0 HB1 ALA E 54 116.336 8.570 -17.658 1.00 0.00 H new ATOM 0 HB2 ALA E 54 117.949 7.830 -17.527 1.00 0.00 H new ATOM 0 HB3 ALA E 54 116.858 7.841 -16.121 1.00 0.00 H new ATOM 985 N GLN E 55 116.610 10.493 -14.542 1.00 0.00 N ATOM 986 CA GLN E 55 115.587 11.208 -13.768 1.00 0.00 C ATOM 987 C GLN E 55 116.233 12.167 -12.772 1.00 0.00 C ATOM 988 O GLN E 55 115.562 12.728 -11.900 1.00 0.00 O ATOM 989 CB GLN E 55 114.681 10.194 -13.056 1.00 0.00 C ATOM 990 CG GLN E 55 114.040 9.286 -14.119 1.00 0.00 C ATOM 991 CD GLN E 55 112.924 8.412 -13.534 1.00 0.00 C ATOM 992 OE1 GLN E 55 112.271 7.676 -14.274 1.00 0.00 O ATOM 993 NE2 GLN E 55 112.660 8.441 -12.258 1.00 0.00 N ATOM 0 H GLN E 55 117.258 9.946 -13.975 1.00 0.00 H new ATOM 0 HA GLN E 55 114.978 11.805 -14.446 1.00 0.00 H new ATOM 0 HB2 GLN E 55 115.259 9.600 -12.349 1.00 0.00 H new ATOM 0 HB3 GLN E 55 113.910 10.710 -12.484 1.00 0.00 H new ATOM 0 HG2 GLN E 55 113.635 9.900 -14.923 1.00 0.00 H new ATOM 0 HG3 GLN E 55 114.806 8.648 -14.560 1.00 0.00 H new ATOM 0 HE21 GLN E 55 113.197 9.049 -11.640 1.00 0.00 H new ATOM 0 HE22 GLN E 55 111.916 7.856 -11.878 1.00 0.00 H new ATOM 1002 N ALA E 56 117.542 12.339 -12.928 1.00 0.00 N ATOM 1003 CA ALA E 56 118.332 13.205 -12.081 1.00 0.00 C ATOM 1004 C ALA E 56 117.790 14.636 -12.072 1.00 0.00 C ATOM 1005 O ALA E 56 117.038 15.040 -12.964 1.00 0.00 O ATOM 1006 CB ALA E 56 119.785 13.191 -12.566 1.00 0.00 C ATOM 0 H ALA E 56 118.083 11.873 -13.656 1.00 0.00 H new ATOM 0 HA ALA E 56 118.277 12.832 -11.058 1.00 0.00 H new ATOM 0 HB1 ALA E 56 120.387 13.842 -11.932 1.00 0.00 H new ATOM 0 HB2 ALA E 56 120.175 12.175 -12.516 1.00 0.00 H new ATOM 0 HB3 ALA E 56 119.828 13.546 -13.595 1.00 0.00 H new ATOM 1013 N GLY F 14 120.336 10.670 9.124 1.00 0.00 N ATOM 1014 CA GLY F 14 119.355 10.157 10.082 1.00 0.00 C ATOM 1015 C GLY F 14 119.515 8.657 10.274 1.00 0.00 C ATOM 1016 O GLY F 14 120.551 8.080 9.932 1.00 0.00 O ATOM 0 HA2 GLY F 14 119.476 10.665 11.039 1.00 0.00 H new ATOM 0 HA3 GLY F 14 118.347 10.377 9.729 1.00 0.00 H new ATOM 1020 N GLU F 15 118.474 8.033 10.823 1.00 0.00 N ATOM 1021 CA GLU F 15 118.484 6.601 11.062 1.00 0.00 C ATOM 1022 C GLU F 15 118.422 5.858 9.741 1.00 0.00 C ATOM 1023 O GLU F 15 117.736 6.285 8.811 1.00 0.00 O ATOM 1024 CB GLU F 15 117.281 6.194 11.909 1.00 0.00 C ATOM 1025 CG GLU F 15 117.505 4.786 12.468 1.00 0.00 C ATOM 1026 CD GLU F 15 116.299 4.335 13.298 1.00 0.00 C ATOM 1027 OE1 GLU F 15 116.050 4.942 14.329 1.00 0.00 O ATOM 1028 OE2 GLU F 15 115.643 3.385 12.895 1.00 0.00 O ATOM 0 H GLU F 15 117.615 8.502 11.109 1.00 0.00 H new ATOM 0 HA GLU F 15 119.403 6.348 11.591 1.00 0.00 H new ATOM 0 HB2 GLU F 15 117.140 6.903 12.725 1.00 0.00 H new ATOM 0 HB3 GLU F 15 116.373 6.218 11.306 1.00 0.00 H new ATOM 0 HG2 GLU F 15 117.671 4.086 11.649 1.00 0.00 H new ATOM 0 HG3 GLU F 15 118.403 4.773 13.086 1.00 0.00 H new ATOM 1035 N ILE F 16 119.131 4.742 9.679 1.00 0.00 N ATOM 1036 CA ILE F 16 119.161 3.915 8.484 1.00 0.00 C ATOM 1037 C ILE F 16 118.576 2.534 8.782 1.00 0.00 C ATOM 1038 O ILE F 16 118.732 2.005 9.887 1.00 0.00 O ATOM 1039 CB ILE F 16 120.599 3.793 7.985 1.00 0.00 C ATOM 1040 CG1 ILE F 16 121.126 5.176 7.548 1.00 0.00 C ATOM 1041 CG2 ILE F 16 120.651 2.820 6.799 1.00 0.00 C ATOM 1042 CD1 ILE F 16 122.616 5.084 7.190 1.00 0.00 C ATOM 0 H ILE F 16 119.697 4.386 10.449 1.00 0.00 H new ATOM 0 HA ILE F 16 118.555 4.381 7.707 1.00 0.00 H new ATOM 0 HB ILE F 16 121.226 3.414 8.792 1.00 0.00 H new ATOM 0 HG12 ILE F 16 120.559 5.535 6.689 1.00 0.00 H new ATOM 0 HG13 ILE F 16 120.981 5.899 8.350 1.00 0.00 H new ATOM 0 HG21 ILE F 16 121.678 2.734 6.444 1.00 0.00 H new ATOM 0 HG22 ILE F 16 120.293 1.840 7.116 1.00 0.00 H new ATOM 0 HG23 ILE F 16 120.019 3.194 5.994 1.00 0.00 H new ATOM 0 HD11 ILE F 16 122.978 6.065 6.883 1.00 0.00 H new ATOM 0 HD12 ILE F 16 123.179 4.746 8.060 1.00 0.00 H new ATOM 0 HD13 ILE F 16 122.751 4.376 6.373 1.00 0.00 H new ATOM 1054 N VAL F 17 117.882 1.980 7.787 1.00 0.00 N ATOM 1055 CA VAL F 17 117.231 0.675 7.915 1.00 0.00 C ATOM 1056 C VAL F 17 117.583 -0.224 6.725 1.00 0.00 C ATOM 1057 O VAL F 17 117.180 0.069 5.601 1.00 0.00 O ATOM 1058 CB VAL F 17 115.714 0.931 7.963 1.00 0.00 C ATOM 1059 CG1 VAL F 17 114.912 -0.347 7.657 1.00 0.00 C ATOM 1060 CG2 VAL F 17 115.333 1.458 9.355 1.00 0.00 C ATOM 0 H VAL F 17 117.756 2.420 6.875 1.00 0.00 H new ATOM 0 HA VAL F 17 117.568 0.165 8.817 1.00 0.00 H new ATOM 0 HB VAL F 17 115.469 1.669 7.199 1.00 0.00 H new ATOM 0 HG11 VAL F 17 113.845 -0.126 7.700 1.00 0.00 H new ATOM 0 HG12 VAL F 17 115.168 -0.707 6.661 1.00 0.00 H new ATOM 0 HG13 VAL F 17 115.154 -1.113 8.393 1.00 0.00 H new ATOM 0 HG21 VAL F 17 114.259 1.641 9.393 1.00 0.00 H new ATOM 0 HG22 VAL F 17 115.603 0.720 10.110 1.00 0.00 H new ATOM 0 HG23 VAL F 17 115.867 2.388 9.550 1.00 0.00 H new ATOM 1070 N TYR F 18 118.303 -1.329 6.987 1.00 0.00 N ATOM 1071 CA TYR F 18 118.677 -2.276 5.925 1.00 0.00 C ATOM 1072 C TYR F 18 117.679 -3.421 5.876 1.00 0.00 C ATOM 1073 O TYR F 18 117.263 -3.940 6.917 1.00 0.00 O ATOM 1074 CB TYR F 18 120.111 -2.814 6.141 1.00 0.00 C ATOM 1075 CG TYR F 18 121.097 -1.927 5.397 1.00 0.00 C ATOM 1076 CD1 TYR F 18 121.020 -0.538 5.545 1.00 0.00 C ATOM 1077 CD2 TYR F 18 122.069 -2.484 4.544 1.00 0.00 C ATOM 1078 CE1 TYR F 18 121.901 0.291 4.852 1.00 0.00 C ATOM 1079 CE2 TYR F 18 122.949 -1.647 3.854 1.00 0.00 C ATOM 1080 CZ TYR F 18 122.866 -0.261 4.006 1.00 0.00 C ATOM 1081 OH TYR F 18 123.733 0.563 3.318 1.00 0.00 O ATOM 0 H TYR F 18 118.634 -1.586 7.917 1.00 0.00 H new ATOM 0 HA TYR F 18 118.658 -1.749 4.971 1.00 0.00 H new ATOM 0 HB2 TYR F 18 120.349 -2.830 7.204 1.00 0.00 H new ATOM 0 HB3 TYR F 18 120.185 -3.841 5.782 1.00 0.00 H new ATOM 0 HD1 TYR F 18 120.276 -0.107 6.198 1.00 0.00 H new ATOM 0 HD2 TYR F 18 122.134 -3.555 4.424 1.00 0.00 H new ATOM 0 HE1 TYR F 18 121.837 1.363 4.969 1.00 0.00 H new ATOM 0 HE2 TYR F 18 123.696 -2.073 3.201 1.00 0.00 H new ATOM 0 HH TYR F 18 123.223 1.144 2.716 1.00 0.00 H new ATOM 1091 N LEU F 19 117.264 -3.769 4.653 1.00 0.00 N ATOM 1092 CA LEU F 19 116.256 -4.821 4.448 1.00 0.00 C ATOM 1093 C LEU F 19 116.787 -5.950 3.540 1.00 0.00 C ATOM 1094 O LEU F 19 116.511 -5.968 2.336 1.00 0.00 O ATOM 1095 CB LEU F 19 114.987 -4.187 3.837 1.00 0.00 C ATOM 1096 CG LEU F 19 114.557 -2.940 4.652 1.00 0.00 C ATOM 1097 CD1 LEU F 19 114.041 -1.848 3.706 1.00 0.00 C ATOM 1098 CD2 LEU F 19 113.455 -3.318 5.652 1.00 0.00 C ATOM 0 H LEU F 19 117.607 -3.341 3.793 1.00 0.00 H new ATOM 0 HA LEU F 19 116.019 -5.271 5.412 1.00 0.00 H new ATOM 0 HB2 LEU F 19 115.177 -3.904 2.802 1.00 0.00 H new ATOM 0 HB3 LEU F 19 114.178 -4.917 3.825 1.00 0.00 H new ATOM 0 HG LEU F 19 115.422 -2.563 5.198 1.00 0.00 H new ATOM 0 HD11 LEU F 19 113.741 -0.976 4.287 1.00 0.00 H new ATOM 0 HD12 LEU F 19 114.831 -1.566 3.010 1.00 0.00 H new ATOM 0 HD13 LEU F 19 113.184 -2.225 3.148 1.00 0.00 H new ATOM 0 HD21 LEU F 19 113.160 -2.435 6.219 1.00 0.00 H new ATOM 0 HD22 LEU F 19 112.592 -3.707 5.112 1.00 0.00 H new ATOM 0 HD23 LEU F 19 113.830 -4.080 6.335 1.00 0.00 H new ATOM 1110 N PRO F 20 117.542 -6.891 4.093 1.00 0.00 N ATOM 1111 CA PRO F 20 118.114 -8.038 3.322 1.00 0.00 C ATOM 1112 C PRO F 20 117.177 -9.253 3.248 1.00 0.00 C ATOM 1113 O PRO F 20 117.048 -9.876 2.190 1.00 0.00 O ATOM 1114 CB PRO F 20 119.373 -8.376 4.121 1.00 0.00 C ATOM 1115 CG PRO F 20 119.025 -8.061 5.543 1.00 0.00 C ATOM 1116 CD PRO F 20 117.948 -6.964 5.512 1.00 0.00 C ATOM 0 HA PRO F 20 118.292 -7.779 2.278 1.00 0.00 H new ATOM 0 HB2 PRO F 20 119.645 -9.425 4.004 1.00 0.00 H new ATOM 0 HB3 PRO F 20 120.225 -7.786 3.783 1.00 0.00 H new ATOM 0 HG2 PRO F 20 118.655 -8.949 6.055 1.00 0.00 H new ATOM 0 HG3 PRO F 20 119.905 -7.721 6.089 1.00 0.00 H new ATOM 0 HD2 PRO F 20 117.105 -7.216 6.155 1.00 0.00 H new ATOM 0 HD3 PRO F 20 118.342 -6.010 5.863 1.00 0.00 H new ATOM 1124 N ASN F 21 116.552 -9.598 4.382 1.00 0.00 N ATOM 1125 CA ASN F 21 115.652 -10.764 4.452 1.00 0.00 C ATOM 1126 C ASN F 21 114.216 -10.425 4.017 1.00 0.00 C ATOM 1127 O ASN F 21 113.319 -11.267 4.119 1.00 0.00 O ATOM 1128 CB ASN F 21 115.649 -11.325 5.885 1.00 0.00 C ATOM 1129 CG ASN F 21 117.041 -11.840 6.271 1.00 0.00 C ATOM 1130 OD1 ASN F 21 117.786 -12.338 5.424 1.00 0.00 O ATOM 1131 ND2 ASN F 21 117.438 -11.756 7.512 1.00 0.00 N ATOM 0 H ASN F 21 116.650 -9.091 5.261 1.00 0.00 H new ATOM 0 HA ASN F 21 116.029 -11.513 3.756 1.00 0.00 H new ATOM 0 HB2 ASN F 21 115.337 -10.549 6.584 1.00 0.00 H new ATOM 0 HB3 ASN F 21 114.923 -12.134 5.962 1.00 0.00 H new ATOM 0 HD21 ASN F 21 118.360 -12.101 7.777 1.00 0.00 H new ATOM 0 HD22 ASN F 21 116.826 -11.345 8.217 1.00 0.00 H new ATOM 1138 N LEU F 22 114.011 -9.204 3.519 1.00 0.00 N ATOM 1139 CA LEU F 22 112.688 -8.765 3.056 1.00 0.00 C ATOM 1140 C LEU F 22 112.437 -9.278 1.632 1.00 0.00 C ATOM 1141 O LEU F 22 113.393 -9.553 0.899 1.00 0.00 O ATOM 1142 CB LEU F 22 112.637 -7.231 3.073 1.00 0.00 C ATOM 1143 CG LEU F 22 111.217 -6.723 3.409 1.00 0.00 C ATOM 1144 CD1 LEU F 22 111.144 -6.337 4.898 1.00 0.00 C ATOM 1145 CD2 LEU F 22 110.908 -5.499 2.527 1.00 0.00 C ATOM 0 H LEU F 22 114.743 -8.500 3.425 1.00 0.00 H new ATOM 0 HA LEU F 22 111.918 -9.166 3.715 1.00 0.00 H new ATOM 0 HB2 LEU F 22 113.346 -6.849 3.808 1.00 0.00 H new ATOM 0 HB3 LEU F 22 112.944 -6.843 2.102 1.00 0.00 H new ATOM 0 HG LEU F 22 110.484 -7.506 3.216 1.00 0.00 H new ATOM 0 HD11 LEU F 22 110.141 -5.979 5.132 1.00 0.00 H new ATOM 0 HD12 LEU F 22 111.371 -7.209 5.511 1.00 0.00 H new ATOM 0 HD13 LEU F 22 111.868 -5.549 5.106 1.00 0.00 H new ATOM 0 HD21 LEU F 22 109.908 -5.130 2.754 1.00 0.00 H new ATOM 0 HD22 LEU F 22 111.638 -4.714 2.725 1.00 0.00 H new ATOM 0 HD23 LEU F 22 110.959 -5.785 1.477 1.00 0.00 H new ATOM 1157 N ASN F 23 111.157 -9.398 1.235 1.00 0.00 N ATOM 1158 CA ASN F 23 110.825 -9.873 -0.116 1.00 0.00 C ATOM 1159 C ASN F 23 110.559 -8.679 -1.039 1.00 0.00 C ATOM 1160 O ASN F 23 110.092 -7.636 -0.575 1.00 0.00 O ATOM 1161 CB ASN F 23 109.604 -10.806 -0.083 1.00 0.00 C ATOM 1162 CG ASN F 23 108.449 -10.166 0.680 1.00 0.00 C ATOM 1163 OD1 ASN F 23 107.517 -9.643 0.072 1.00 0.00 O ATOM 1164 ND2 ASN F 23 108.452 -10.182 1.984 1.00 0.00 N ATOM 0 H ASN F 23 110.351 -9.177 1.820 1.00 0.00 H new ATOM 0 HA ASN F 23 111.673 -10.439 -0.502 1.00 0.00 H new ATOM 0 HB2 ASN F 23 109.289 -11.036 -1.101 1.00 0.00 H new ATOM 0 HB3 ASN F 23 109.876 -11.751 0.387 1.00 0.00 H new ATOM 0 HD21 ASN F 23 107.680 -9.760 2.501 1.00 0.00 H new ATOM 0 HD22 ASN F 23 109.226 -10.616 2.487 1.00 0.00 H new ATOM 1171 N PRO F 24 110.862 -8.790 -2.324 1.00 0.00 N ATOM 1172 CA PRO F 24 110.654 -7.663 -3.286 1.00 0.00 C ATOM 1173 C PRO F 24 109.213 -7.168 -3.304 1.00 0.00 C ATOM 1174 O PRO F 24 108.973 -5.962 -3.424 1.00 0.00 O ATOM 1175 CB PRO F 24 111.050 -8.240 -4.652 1.00 0.00 C ATOM 1176 CG PRO F 24 111.875 -9.447 -4.360 1.00 0.00 C ATOM 1177 CD PRO F 24 111.427 -9.976 -2.997 1.00 0.00 C ATOM 0 HA PRO F 24 111.248 -6.793 -3.006 1.00 0.00 H new ATOM 0 HB2 PRO F 24 110.168 -8.501 -5.237 1.00 0.00 H new ATOM 0 HB3 PRO F 24 111.615 -7.512 -5.235 1.00 0.00 H new ATOM 0 HG2 PRO F 24 111.737 -10.204 -5.132 1.00 0.00 H new ATOM 0 HG3 PRO F 24 112.935 -9.195 -4.346 1.00 0.00 H new ATOM 0 HD2 PRO F 24 110.685 -10.768 -3.100 1.00 0.00 H new ATOM 0 HD3 PRO F 24 112.263 -10.393 -2.436 1.00 0.00 H new ATOM 1185 N ASP F 25 108.261 -8.096 -3.161 1.00 0.00 N ATOM 1186 CA ASP F 25 106.846 -7.724 -3.135 1.00 0.00 C ATOM 1187 C ASP F 25 106.624 -6.734 -1.995 1.00 0.00 C ATOM 1188 O ASP F 25 105.872 -5.764 -2.131 1.00 0.00 O ATOM 1189 CB ASP F 25 105.964 -8.968 -2.936 1.00 0.00 C ATOM 1190 CG ASP F 25 106.123 -9.928 -4.119 1.00 0.00 C ATOM 1191 OD1 ASP F 25 105.730 -9.560 -5.215 1.00 0.00 O ATOM 1192 OD2 ASP F 25 106.636 -11.017 -3.911 1.00 0.00 O ATOM 0 H ASP F 25 108.442 -9.095 -3.063 1.00 0.00 H new ATOM 0 HA ASP F 25 106.572 -7.265 -4.085 1.00 0.00 H new ATOM 0 HB2 ASP F 25 106.239 -9.473 -2.010 1.00 0.00 H new ATOM 0 HB3 ASP F 25 104.920 -8.670 -2.839 1.00 0.00 H new ATOM 1197 N GLN F 26 107.324 -6.982 -0.883 1.00 0.00 N ATOM 1198 CA GLN F 26 107.253 -6.112 0.278 1.00 0.00 C ATOM 1199 C GLN F 26 107.962 -4.782 -0.007 1.00 0.00 C ATOM 1200 O GLN F 26 107.482 -3.727 0.406 1.00 0.00 O ATOM 1201 CB GLN F 26 107.883 -6.799 1.493 1.00 0.00 C ATOM 1202 CG GLN F 26 107.598 -5.981 2.755 1.00 0.00 C ATOM 1203 CD GLN F 26 106.138 -6.148 3.169 1.00 0.00 C ATOM 1204 OE1 GLN F 26 105.707 -7.254 3.494 1.00 0.00 O ATOM 1205 NE2 GLN F 26 105.345 -5.112 3.172 1.00 0.00 N ATOM 0 H GLN F 26 107.946 -7.783 -0.770 1.00 0.00 H new ATOM 0 HA GLN F 26 106.205 -5.907 0.496 1.00 0.00 H new ATOM 0 HB2 GLN F 26 107.481 -7.806 1.602 1.00 0.00 H new ATOM 0 HB3 GLN F 26 108.959 -6.900 1.349 1.00 0.00 H new ATOM 0 HG2 GLN F 26 108.253 -6.305 3.564 1.00 0.00 H new ATOM 0 HG3 GLN F 26 107.814 -4.928 2.572 1.00 0.00 H new ATOM 0 HE21 GLN F 26 105.702 -4.195 2.903 1.00 0.00 H new ATOM 0 HE22 GLN F 26 104.368 -5.219 3.444 1.00 0.00 H new ATOM 1214 N LEU F 27 109.108 -4.841 -0.714 1.00 0.00 N ATOM 1215 CA LEU F 27 109.869 -3.627 -1.043 1.00 0.00 C ATOM 1216 C LEU F 27 109.023 -2.650 -1.860 1.00 0.00 C ATOM 1217 O LEU F 27 109.030 -1.450 -1.589 1.00 0.00 O ATOM 1218 CB LEU F 27 111.149 -3.966 -1.831 1.00 0.00 C ATOM 1219 CG LEU F 27 112.215 -4.594 -0.912 1.00 0.00 C ATOM 1220 CD1 LEU F 27 113.416 -5.055 -1.753 1.00 0.00 C ATOM 1221 CD2 LEU F 27 112.700 -3.556 0.117 1.00 0.00 C ATOM 0 H LEU F 27 109.520 -5.706 -1.063 1.00 0.00 H new ATOM 0 HA LEU F 27 110.145 -3.159 -0.098 1.00 0.00 H new ATOM 0 HB2 LEU F 27 110.910 -4.656 -2.640 1.00 0.00 H new ATOM 0 HB3 LEU F 27 111.547 -3.061 -2.290 1.00 0.00 H new ATOM 0 HG LEU F 27 111.774 -5.446 -0.394 1.00 0.00 H new ATOM 0 HD11 LEU F 27 114.168 -5.499 -1.101 1.00 0.00 H new ATOM 0 HD12 LEU F 27 113.087 -5.795 -2.483 1.00 0.00 H new ATOM 0 HD13 LEU F 27 113.846 -4.199 -2.273 1.00 0.00 H new ATOM 0 HD21 LEU F 27 113.453 -4.008 0.762 1.00 0.00 H new ATOM 0 HD22 LEU F 27 113.134 -2.702 -0.404 1.00 0.00 H new ATOM 0 HD23 LEU F 27 111.857 -3.222 0.722 1.00 0.00 H new ATOM 1233 N CYS F 28 108.294 -3.164 -2.856 1.00 0.00 N ATOM 1234 CA CYS F 28 107.450 -2.302 -3.686 1.00 0.00 C ATOM 1235 C CYS F 28 106.363 -1.653 -2.827 1.00 0.00 C ATOM 1236 O CYS F 28 106.082 -0.460 -2.968 1.00 0.00 O ATOM 1237 CB CYS F 28 106.820 -3.110 -4.828 1.00 0.00 C ATOM 1238 SG CYS F 28 108.124 -3.652 -5.966 1.00 0.00 S ATOM 0 H CYS F 28 108.271 -4.153 -3.103 1.00 0.00 H new ATOM 0 HA CYS F 28 108.068 -1.517 -4.122 1.00 0.00 H new ATOM 0 HB2 CYS F 28 106.288 -3.973 -4.428 1.00 0.00 H new ATOM 0 HB3 CYS F 28 106.087 -2.502 -5.359 1.00 0.00 H new ATOM 1243 N ALA F 29 105.781 -2.443 -1.920 1.00 0.00 N ATOM 1244 CA ALA F 29 104.747 -1.942 -1.014 1.00 0.00 C ATOM 1245 C ALA F 29 105.351 -0.923 -0.047 1.00 0.00 C ATOM 1246 O ALA F 29 104.725 0.088 0.293 1.00 0.00 O ATOM 1247 CB ALA F 29 104.147 -3.109 -0.219 1.00 0.00 C ATOM 0 H ALA F 29 106.008 -3.429 -1.795 1.00 0.00 H new ATOM 0 HA ALA F 29 103.964 -1.461 -1.600 1.00 0.00 H new ATOM 0 HB1 ALA F 29 103.377 -2.733 0.455 1.00 0.00 H new ATOM 0 HB2 ALA F 29 103.706 -3.830 -0.908 1.00 0.00 H new ATOM 0 HB3 ALA F 29 104.931 -3.595 0.361 1.00 0.00 H new ATOM 1253 N PHE F 30 106.579 -1.218 0.386 1.00 0.00 N ATOM 1254 CA PHE F 30 107.312 -0.364 1.317 1.00 0.00 C ATOM 1255 C PHE F 30 107.646 0.979 0.669 1.00 0.00 C ATOM 1256 O PHE F 30 107.329 2.033 1.215 1.00 0.00 O ATOM 1257 CB PHE F 30 108.606 -1.099 1.731 1.00 0.00 C ATOM 1258 CG PHE F 30 109.566 -0.177 2.465 1.00 0.00 C ATOM 1259 CD1 PHE F 30 109.151 0.491 3.625 1.00 0.00 C ATOM 1260 CD2 PHE F 30 110.881 0.002 1.986 1.00 0.00 C ATOM 1261 CE1 PHE F 30 110.039 1.331 4.305 1.00 0.00 C ATOM 1262 CE2 PHE F 30 111.763 0.845 2.669 1.00 0.00 C ATOM 1263 CZ PHE F 30 111.343 1.508 3.827 1.00 0.00 C ATOM 0 H PHE F 30 107.090 -2.053 0.101 1.00 0.00 H new ATOM 0 HA PHE F 30 106.698 -0.163 2.195 1.00 0.00 H new ATOM 0 HB2 PHE F 30 108.355 -1.946 2.370 1.00 0.00 H new ATOM 0 HB3 PHE F 30 109.095 -1.502 0.844 1.00 0.00 H new ATOM 0 HD1 PHE F 30 108.145 0.357 3.994 1.00 0.00 H new ATOM 0 HD2 PHE F 30 111.206 -0.511 1.093 1.00 0.00 H new ATOM 0 HE1 PHE F 30 109.718 1.844 5.200 1.00 0.00 H new ATOM 0 HE2 PHE F 30 112.769 0.984 2.302 1.00 0.00 H new ATOM 0 HZ PHE F 30 112.026 2.158 4.354 1.00 0.00 H new ATOM 1273 N ILE F 31 108.293 0.923 -0.493 1.00 0.00 N ATOM 1274 CA ILE F 31 108.689 2.132 -1.212 1.00 0.00 C ATOM 1275 C ILE F 31 107.474 2.968 -1.621 1.00 0.00 C ATOM 1276 O ILE F 31 107.536 4.201 -1.598 1.00 0.00 O ATOM 1277 CB ILE F 31 109.545 1.753 -2.432 1.00 0.00 C ATOM 1278 CG1 ILE F 31 110.836 1.081 -1.929 1.00 0.00 C ATOM 1279 CG2 ILE F 31 109.912 3.010 -3.241 1.00 0.00 C ATOM 1280 CD1 ILE F 31 111.629 0.500 -3.105 1.00 0.00 C ATOM 0 H ILE F 31 108.554 0.053 -0.957 1.00 0.00 H new ATOM 0 HA ILE F 31 109.286 2.752 -0.544 1.00 0.00 H new ATOM 0 HB ILE F 31 108.983 1.076 -3.075 1.00 0.00 H new ATOM 0 HG12 ILE F 31 111.447 1.808 -1.394 1.00 0.00 H new ATOM 0 HG13 ILE F 31 110.590 0.289 -1.222 1.00 0.00 H new ATOM 0 HG21 ILE F 31 110.518 2.725 -4.101 1.00 0.00 H new ATOM 0 HG22 ILE F 31 109.001 3.500 -3.585 1.00 0.00 H new ATOM 0 HG23 ILE F 31 110.477 3.696 -2.610 1.00 0.00 H new ATOM 0 HD11 ILE F 31 112.539 0.029 -2.733 1.00 0.00 H new ATOM 0 HD12 ILE F 31 111.021 -0.242 -3.622 1.00 0.00 H new ATOM 0 HD13 ILE F 31 111.892 1.300 -3.797 1.00 0.00 H new ATOM 1292 N HIS F 32 106.382 2.300 -1.998 1.00 0.00 N ATOM 1293 CA HIS F 32 105.166 3.004 -2.411 1.00 0.00 C ATOM 1294 C HIS F 32 104.637 3.877 -1.270 1.00 0.00 C ATOM 1295 O HIS F 32 104.344 5.057 -1.467 1.00 0.00 O ATOM 1296 CB HIS F 32 104.097 1.982 -2.833 1.00 0.00 C ATOM 1297 CG HIS F 32 102.868 2.671 -3.383 1.00 0.00 C ATOM 1298 ND1 HIS F 32 102.809 4.038 -3.631 1.00 0.00 N ATOM 1299 CD2 HIS F 32 101.643 2.175 -3.759 1.00 0.00 C ATOM 1300 CE1 HIS F 32 101.589 4.306 -4.136 1.00 0.00 C ATOM 1301 NE2 HIS F 32 100.840 3.206 -4.233 1.00 0.00 N ATOM 0 H HIS F 32 106.314 1.283 -2.026 1.00 0.00 H new ATOM 0 HA HIS F 32 105.402 3.650 -3.257 1.00 0.00 H new ATOM 0 HB2 HIS F 32 104.509 1.311 -3.587 1.00 0.00 H new ATOM 0 HB3 HIS F 32 103.820 1.367 -1.977 1.00 0.00 H new ATOM 0 HD1 HIS F 32 103.553 4.714 -3.462 1.00 0.00 H new ATOM 0 HD2 HIS F 32 101.348 1.138 -3.696 1.00 0.00 H new ATOM 0 HE1 HIS F 32 101.257 5.292 -4.427 1.00 0.00 H new ATOM 1310 N SER F 33 104.536 3.286 -0.076 1.00 0.00 N ATOM 1311 CA SER F 33 104.052 4.010 1.104 1.00 0.00 C ATOM 1312 C SER F 33 105.105 5.014 1.589 1.00 0.00 C ATOM 1313 O SER F 33 104.782 6.138 1.981 1.00 0.00 O ATOM 1314 CB SER F 33 103.722 3.008 2.218 1.00 0.00 C ATOM 1315 OG SER F 33 102.938 1.947 1.683 1.00 0.00 O ATOM 0 H SER F 33 104.782 2.312 0.099 1.00 0.00 H new ATOM 0 HA SER F 33 103.151 4.563 0.837 1.00 0.00 H new ATOM 0 HB2 SER F 33 104.641 2.613 2.651 1.00 0.00 H new ATOM 0 HB3 SER F 33 103.180 3.506 3.021 1.00 0.00 H new ATOM 0 HG SER F 33 103.524 1.299 1.240 1.00 0.00 H new ATOM 1321 N LEU F 34 106.364 4.575 1.549 1.00 0.00 N ATOM 1322 CA LEU F 34 107.517 5.378 1.963 1.00 0.00 C ATOM 1323 C LEU F 34 107.584 6.688 1.175 1.00 0.00 C ATOM 1324 O LEU F 34 107.842 7.752 1.743 1.00 0.00 O ATOM 1325 CB LEU F 34 108.763 4.516 1.705 1.00 0.00 C ATOM 1326 CG LEU F 34 110.076 5.222 2.064 1.00 0.00 C ATOM 1327 CD1 LEU F 34 110.340 5.072 3.567 1.00 0.00 C ATOM 1328 CD2 LEU F 34 111.229 4.568 1.275 1.00 0.00 C ATOM 0 H LEU F 34 106.615 3.641 1.225 1.00 0.00 H new ATOM 0 HA LEU F 34 107.444 5.654 3.015 1.00 0.00 H new ATOM 0 HB2 LEU F 34 108.685 3.595 2.282 1.00 0.00 H new ATOM 0 HB3 LEU F 34 108.788 4.232 0.653 1.00 0.00 H new ATOM 0 HG LEU F 34 110.008 6.280 1.811 1.00 0.00 H new ATOM 0 HD11 LEU F 34 111.273 5.573 3.824 1.00 0.00 H new ATOM 0 HD12 LEU F 34 109.520 5.522 4.127 1.00 0.00 H new ATOM 0 HD13 LEU F 34 110.415 4.014 3.820 1.00 0.00 H new ATOM 0 HD21 LEU F 34 112.167 5.064 1.524 1.00 0.00 H new ATOM 0 HD22 LEU F 34 111.296 3.512 1.537 1.00 0.00 H new ATOM 0 HD23 LEU F 34 111.040 4.666 0.206 1.00 0.00 H new ATOM 1340 N HIS F 35 107.353 6.592 -0.136 1.00 0.00 N ATOM 1341 CA HIS F 35 107.387 7.764 -1.019 1.00 0.00 C ATOM 1342 C HIS F 35 106.107 8.606 -0.898 1.00 0.00 C ATOM 1343 O HIS F 35 106.178 9.819 -0.684 1.00 0.00 O ATOM 1344 CB HIS F 35 107.573 7.301 -2.473 1.00 0.00 C ATOM 1345 CG HIS F 35 107.793 8.491 -3.377 1.00 0.00 C ATOM 1346 ND1 HIS F 35 108.939 9.267 -3.312 1.00 0.00 N ATOM 1347 CD2 HIS F 35 107.019 9.047 -4.367 1.00 0.00 C ATOM 1348 CE1 HIS F 35 108.824 10.238 -4.237 1.00 0.00 C ATOM 1349 NE2 HIS F 35 107.674 10.150 -4.908 1.00 0.00 N ATOM 0 H HIS F 35 107.140 5.715 -0.612 1.00 0.00 H new ATOM 0 HA HIS F 35 108.224 8.393 -0.716 1.00 0.00 H new ATOM 0 HB2 HIS F 35 108.423 6.622 -2.540 1.00 0.00 H new ATOM 0 HB3 HIS F 35 106.695 6.744 -2.800 1.00 0.00 H new ATOM 0 HD2 HIS F 35 106.051 8.684 -4.678 1.00 0.00 H new ATOM 0 HE1 HIS F 35 109.572 10.997 -4.415 1.00 0.00 H new ATOM 0 HE2 HIS F 35 107.345 10.760 -5.657 1.00 0.00 H new ATOM 1358 N ASP F 36 104.944 7.959 -1.068 1.00 0.00 N ATOM 1359 CA ASP F 36 103.652 8.660 -1.007 1.00 0.00 C ATOM 1360 C ASP F 36 103.425 9.356 0.338 1.00 0.00 C ATOM 1361 O ASP F 36 102.849 10.447 0.377 1.00 0.00 O ATOM 1362 CB ASP F 36 102.506 7.674 -1.283 1.00 0.00 C ATOM 1363 CG ASP F 36 102.412 7.376 -2.784 1.00 0.00 C ATOM 1364 OD1 ASP F 36 103.378 6.873 -3.339 1.00 0.00 O ATOM 1365 OD2 ASP F 36 101.372 7.661 -3.361 1.00 0.00 O ATOM 0 H ASP F 36 104.871 6.958 -1.248 1.00 0.00 H new ATOM 0 HA ASP F 36 103.670 9.434 -1.774 1.00 0.00 H new ATOM 0 HB2 ASP F 36 102.672 6.749 -0.731 1.00 0.00 H new ATOM 0 HB3 ASP F 36 101.564 8.092 -0.928 1.00 0.00 H new ATOM 1370 N ASP F 37 103.863 8.721 1.432 1.00 0.00 N ATOM 1371 CA ASP F 37 103.687 9.286 2.776 1.00 0.00 C ATOM 1372 C ASP F 37 105.052 9.551 3.434 1.00 0.00 C ATOM 1373 O ASP F 37 105.544 8.735 4.223 1.00 0.00 O ATOM 1374 CB ASP F 37 102.851 8.331 3.646 1.00 0.00 C ATOM 1375 CG ASP F 37 102.228 9.081 4.835 1.00 0.00 C ATOM 1376 OD1 ASP F 37 102.934 9.834 5.483 1.00 0.00 O ATOM 1377 OD2 ASP F 37 101.050 8.876 5.087 1.00 0.00 O ATOM 0 H ASP F 37 104.340 7.820 1.414 1.00 0.00 H new ATOM 0 HA ASP F 37 103.158 10.235 2.687 1.00 0.00 H new ATOM 0 HB2 ASP F 37 102.064 7.878 3.043 1.00 0.00 H new ATOM 0 HB3 ASP F 37 103.480 7.519 4.011 1.00 0.00 H new ATOM 1382 N PRO F 38 105.672 10.674 3.119 1.00 0.00 N ATOM 1383 CA PRO F 38 107.004 11.043 3.685 1.00 0.00 C ATOM 1384 C PRO F 38 106.970 11.170 5.212 1.00 0.00 C ATOM 1385 O PRO F 38 107.962 10.878 5.881 1.00 0.00 O ATOM 1386 CB PRO F 38 107.353 12.381 3.014 1.00 0.00 C ATOM 1387 CG PRO F 38 106.077 12.905 2.439 1.00 0.00 C ATOM 1388 CD PRO F 38 105.166 11.704 2.196 1.00 0.00 C ATOM 0 HA PRO F 38 107.751 10.274 3.488 1.00 0.00 H new ATOM 0 HB2 PRO F 38 107.771 13.082 3.737 1.00 0.00 H new ATOM 0 HB3 PRO F 38 108.103 12.242 2.235 1.00 0.00 H new ATOM 0 HG2 PRO F 38 105.608 13.612 3.124 1.00 0.00 H new ATOM 0 HG3 PRO F 38 106.265 13.440 1.508 1.00 0.00 H new ATOM 0 HD2 PRO F 38 104.124 11.947 2.403 1.00 0.00 H new ATOM 0 HD3 PRO F 38 105.216 11.369 1.160 1.00 0.00 H new ATOM 1396 N SER F 39 105.828 11.604 5.755 1.00 0.00 N ATOM 1397 CA SER F 39 105.689 11.757 7.206 1.00 0.00 C ATOM 1398 C SER F 39 105.619 10.395 7.903 1.00 0.00 C ATOM 1399 O SER F 39 106.002 10.274 9.068 1.00 0.00 O ATOM 1400 CB SER F 39 104.441 12.579 7.548 1.00 0.00 C ATOM 1401 OG SER F 39 103.261 11.860 7.194 1.00 0.00 O ATOM 0 H SER F 39 104.996 11.853 5.219 1.00 0.00 H new ATOM 0 HA SER F 39 106.572 12.285 7.566 1.00 0.00 H new ATOM 0 HB2 SER F 39 104.429 12.808 8.614 1.00 0.00 H new ATOM 0 HB3 SER F 39 104.468 13.531 7.017 1.00 0.00 H new ATOM 0 HG SER F 39 103.474 11.204 6.497 1.00 0.00 H new ATOM 1407 N GLN F 40 105.112 9.384 7.183 1.00 0.00 N ATOM 1408 CA GLN F 40 104.968 8.037 7.710 1.00 0.00 C ATOM 1409 C GLN F 40 106.130 7.143 7.252 1.00 0.00 C ATOM 1410 O GLN F 40 106.233 5.992 7.670 1.00 0.00 O ATOM 1411 CB GLN F 40 103.623 7.494 7.212 1.00 0.00 C ATOM 1412 CG GLN F 40 103.356 6.098 7.757 1.00 0.00 C ATOM 1413 CD GLN F 40 101.930 5.629 7.428 1.00 0.00 C ATOM 1414 OE1 GLN F 40 101.557 4.511 7.780 1.00 0.00 O ATOM 1415 NE2 GLN F 40 101.108 6.408 6.772 1.00 0.00 N ATOM 0 H GLN F 40 104.793 9.486 6.220 1.00 0.00 H new ATOM 0 HA GLN F 40 104.992 8.047 8.800 1.00 0.00 H new ATOM 0 HB2 GLN F 40 102.821 8.166 7.518 1.00 0.00 H new ATOM 0 HB3 GLN F 40 103.619 7.468 6.122 1.00 0.00 H new ATOM 0 HG2 GLN F 40 104.077 5.398 7.336 1.00 0.00 H new ATOM 0 HG3 GLN F 40 103.502 6.094 8.837 1.00 0.00 H new ATOM 0 HE21 GLN F 40 101.411 7.336 6.477 1.00 0.00 H new ATOM 0 HE22 GLN F 40 100.164 6.087 6.556 1.00 0.00 H new ATOM 1424 N SER F 41 107.013 7.687 6.400 1.00 0.00 N ATOM 1425 CA SER F 41 108.169 6.932 5.899 1.00 0.00 C ATOM 1426 C SER F 41 108.986 6.377 7.068 1.00 0.00 C ATOM 1427 O SER F 41 109.428 5.226 7.049 1.00 0.00 O ATOM 1428 CB SER F 41 109.040 7.855 5.038 1.00 0.00 C ATOM 1429 OG SER F 41 109.702 8.799 5.869 1.00 0.00 O ATOM 0 H SER F 41 106.948 8.641 6.046 1.00 0.00 H new ATOM 0 HA SER F 41 107.819 6.095 5.295 1.00 0.00 H new ATOM 0 HB2 SER F 41 109.772 7.268 4.483 1.00 0.00 H new ATOM 0 HB3 SER F 41 108.423 8.372 4.303 1.00 0.00 H new ATOM 0 HG SER F 41 109.133 9.589 5.984 1.00 0.00 H new ATOM 1435 N ALA F 42 109.142 7.209 8.089 1.00 0.00 N ATOM 1436 CA ALA F 42 109.866 6.831 9.301 1.00 0.00 C ATOM 1437 C ALA F 42 109.145 5.675 9.992 1.00 0.00 C ATOM 1438 O ALA F 42 109.772 4.691 10.392 1.00 0.00 O ATOM 1439 CB ALA F 42 109.952 8.029 10.253 1.00 0.00 C ATOM 0 H ALA F 42 108.774 8.160 8.104 1.00 0.00 H new ATOM 0 HA ALA F 42 110.874 6.517 9.031 1.00 0.00 H new ATOM 0 HB1 ALA F 42 110.493 7.740 11.154 1.00 0.00 H new ATOM 0 HB2 ALA F 42 110.478 8.847 9.761 1.00 0.00 H new ATOM 0 HB3 ALA F 42 108.947 8.353 10.522 1.00 0.00 H new ATOM 1445 N ASN F 43 107.816 5.796 10.106 1.00 0.00 N ATOM 1446 CA ASN F 43 107.005 4.744 10.725 1.00 0.00 C ATOM 1447 C ASN F 43 107.127 3.458 9.911 1.00 0.00 C ATOM 1448 O ASN F 43 107.230 2.362 10.469 1.00 0.00 O ATOM 1449 CB ASN F 43 105.535 5.172 10.799 1.00 0.00 C ATOM 1450 CG ASN F 43 105.368 6.303 11.811 1.00 0.00 C ATOM 1451 OD1 ASN F 43 104.961 7.407 11.452 1.00 0.00 O ATOM 1452 ND2 ASN F 43 105.656 6.088 13.064 1.00 0.00 N ATOM 0 H ASN F 43 107.285 6.604 9.781 1.00 0.00 H new ATOM 0 HA ASN F 43 107.369 4.571 11.738 1.00 0.00 H new ATOM 0 HB2 ASN F 43 105.194 5.499 9.817 1.00 0.00 H new ATOM 0 HB3 ASN F 43 104.915 4.323 11.086 1.00 0.00 H new ATOM 0 HD21 ASN F 43 105.544 6.836 13.749 1.00 0.00 H new ATOM 0 HD22 ASN F 43 105.993 5.172 13.360 1.00 0.00 H new ATOM 1459 N LEU F 44 107.140 3.613 8.587 1.00 0.00 N ATOM 1460 CA LEU F 44 107.280 2.477 7.687 1.00 0.00 C ATOM 1461 C LEU F 44 108.639 1.832 7.885 1.00 0.00 C ATOM 1462 O LEU F 44 108.769 0.621 7.756 1.00 0.00 O ATOM 1463 CB LEU F 44 107.126 2.922 6.231 1.00 0.00 C ATOM 1464 CG LEU F 44 105.660 3.278 5.950 1.00 0.00 C ATOM 1465 CD1 LEU F 44 105.587 4.206 4.736 1.00 0.00 C ATOM 1466 CD2 LEU F 44 104.863 1.994 5.668 1.00 0.00 C ATOM 0 H LEU F 44 107.055 4.515 8.118 1.00 0.00 H new ATOM 0 HA LEU F 44 106.497 1.753 7.914 1.00 0.00 H new ATOM 0 HB2 LEU F 44 107.763 3.784 6.035 1.00 0.00 H new ATOM 0 HB3 LEU F 44 107.452 2.126 5.561 1.00 0.00 H new ATOM 0 HG LEU F 44 105.234 3.782 6.818 1.00 0.00 H new ATOM 0 HD11 LEU F 44 104.546 4.460 4.534 1.00 0.00 H new ATOM 0 HD12 LEU F 44 106.150 5.117 4.940 1.00 0.00 H new ATOM 0 HD13 LEU F 44 106.012 3.703 3.868 1.00 0.00 H new ATOM 0 HD21 LEU F 44 103.822 2.248 5.469 1.00 0.00 H new ATOM 0 HD22 LEU F 44 105.285 1.487 4.800 1.00 0.00 H new ATOM 0 HD23 LEU F 44 104.916 1.335 6.535 1.00 0.00 H new ATOM 1478 N LEU F 45 109.649 2.652 8.208 1.00 0.00 N ATOM 1479 CA LEU F 45 111.001 2.139 8.439 1.00 0.00 C ATOM 1480 C LEU F 45 110.997 1.172 9.619 1.00 0.00 C ATOM 1481 O LEU F 45 111.693 0.161 9.598 1.00 0.00 O ATOM 1482 CB LEU F 45 111.984 3.296 8.720 1.00 0.00 C ATOM 1483 CG LEU F 45 112.950 3.465 7.538 1.00 0.00 C ATOM 1484 CD1 LEU F 45 112.211 4.137 6.364 1.00 0.00 C ATOM 1485 CD2 LEU F 45 114.147 4.347 7.949 1.00 0.00 C ATOM 0 H LEU F 45 109.555 3.662 8.314 1.00 0.00 H new ATOM 0 HA LEU F 45 111.327 1.614 7.541 1.00 0.00 H new ATOM 0 HB2 LEU F 45 111.432 4.221 8.884 1.00 0.00 H new ATOM 0 HB3 LEU F 45 112.545 3.094 9.632 1.00 0.00 H new ATOM 0 HG LEU F 45 113.314 2.482 7.238 1.00 0.00 H new ATOM 0 HD11 LEU F 45 112.896 4.258 5.524 1.00 0.00 H new ATOM 0 HD12 LEU F 45 111.370 3.515 6.060 1.00 0.00 H new ATOM 0 HD13 LEU F 45 111.845 5.115 6.677 1.00 0.00 H new ATOM 0 HD21 LEU F 45 114.824 4.459 7.102 1.00 0.00 H new ATOM 0 HD22 LEU F 45 113.787 5.328 8.258 1.00 0.00 H new ATOM 0 HD23 LEU F 45 114.677 3.878 8.778 1.00 0.00 H new ATOM 1497 N ALA F 46 110.197 1.491 10.638 1.00 0.00 N ATOM 1498 CA ALA F 46 110.099 0.646 11.824 1.00 0.00 C ATOM 1499 C ALA F 46 109.510 -0.720 11.468 1.00 0.00 C ATOM 1500 O ALA F 46 110.093 -1.755 11.801 1.00 0.00 O ATOM 1501 CB ALA F 46 109.218 1.333 12.876 1.00 0.00 C ATOM 0 H ALA F 46 109.611 2.325 10.664 1.00 0.00 H new ATOM 0 HA ALA F 46 111.100 0.496 12.228 1.00 0.00 H new ATOM 0 HB1 ALA F 46 109.147 0.700 13.760 1.00 0.00 H new ATOM 0 HB2 ALA F 46 109.659 2.291 13.150 1.00 0.00 H new ATOM 0 HB3 ALA F 46 108.222 1.497 12.465 1.00 0.00 H new ATOM 1507 N GLU F 47 108.355 -0.717 10.793 1.00 0.00 N ATOM 1508 CA GLU F 47 107.699 -1.970 10.403 1.00 0.00 C ATOM 1509 C GLU F 47 108.510 -2.701 9.335 1.00 0.00 C ATOM 1510 O GLU F 47 108.652 -3.922 9.384 1.00 0.00 O ATOM 1511 CB GLU F 47 106.296 -1.703 9.857 1.00 0.00 C ATOM 1512 CG GLU F 47 105.421 -1.027 10.931 1.00 0.00 C ATOM 1513 CD GLU F 47 103.964 -0.858 10.455 1.00 0.00 C ATOM 1514 OE1 GLU F 47 103.727 -0.848 9.253 1.00 0.00 O ATOM 1515 OE2 GLU F 47 103.103 -0.721 11.310 1.00 0.00 O ATOM 0 H GLU F 47 107.860 0.128 10.508 1.00 0.00 H new ATOM 0 HA GLU F 47 107.631 -2.591 11.296 1.00 0.00 H new ATOM 0 HB2 GLU F 47 106.357 -1.066 8.975 1.00 0.00 H new ATOM 0 HB3 GLU F 47 105.837 -2.640 9.542 1.00 0.00 H new ATOM 0 HG2 GLU F 47 105.439 -1.623 11.843 1.00 0.00 H new ATOM 0 HG3 GLU F 47 105.838 -0.051 11.179 1.00 0.00 H new ATOM 1522 N ALA F 48 109.044 -1.942 8.372 1.00 0.00 N ATOM 1523 CA ALA F 48 109.851 -2.520 7.295 1.00 0.00 C ATOM 1524 C ALA F 48 111.063 -3.207 7.900 1.00 0.00 C ATOM 1525 O ALA F 48 111.391 -4.345 7.556 1.00 0.00 O ATOM 1526 CB ALA F 48 110.304 -1.424 6.326 1.00 0.00 C ATOM 0 H ALA F 48 108.932 -0.930 8.317 1.00 0.00 H new ATOM 0 HA ALA F 48 109.253 -3.245 6.743 1.00 0.00 H new ATOM 0 HB1 ALA F 48 110.903 -1.867 5.530 1.00 0.00 H new ATOM 0 HB2 ALA F 48 109.430 -0.936 5.894 1.00 0.00 H new ATOM 0 HB3 ALA F 48 110.902 -0.688 6.863 1.00 0.00 H new ATOM 1532 N LYS F 49 111.694 -2.512 8.844 1.00 0.00 N ATOM 1533 CA LYS F 49 112.836 -3.055 9.549 1.00 0.00 C ATOM 1534 C LYS F 49 112.386 -4.266 10.375 1.00 0.00 C ATOM 1535 O LYS F 49 113.106 -5.263 10.475 1.00 0.00 O ATOM 1536 CB LYS F 49 113.439 -1.978 10.459 1.00 0.00 C ATOM 1537 CG LYS F 49 114.761 -2.482 11.052 1.00 0.00 C ATOM 1538 CD LYS F 49 114.903 -1.992 12.501 1.00 0.00 C ATOM 1539 CE LYS F 49 115.228 -0.494 12.523 1.00 0.00 C ATOM 1540 NZ LYS F 49 115.274 -0.017 13.936 1.00 0.00 N ATOM 0 H LYS F 49 111.428 -1.571 9.133 1.00 0.00 H new ATOM 0 HA LYS F 49 113.597 -3.373 8.836 1.00 0.00 H new ATOM 0 HB2 LYS F 49 113.609 -1.063 9.892 1.00 0.00 H new ATOM 0 HB3 LYS F 49 112.741 -1.732 11.259 1.00 0.00 H new ATOM 0 HG2 LYS F 49 114.791 -3.571 11.022 1.00 0.00 H new ATOM 0 HG3 LYS F 49 115.599 -2.123 10.454 1.00 0.00 H new ATOM 0 HD2 LYS F 49 113.979 -2.179 13.048 1.00 0.00 H new ATOM 0 HD3 LYS F 49 115.691 -2.550 13.006 1.00 0.00 H new ATOM 0 HE2 LYS F 49 116.185 -0.311 12.035 1.00 0.00 H new ATOM 0 HE3 LYS F 49 114.474 0.061 11.965 1.00 0.00 H new ATOM 0 HZ1 LYS F 49 115.494 0.999 13.952 1.00 0.00 H new ATOM 0 HZ2 LYS F 49 114.351 -0.178 14.387 1.00 0.00 H new ATOM 0 HZ3 LYS F 49 116.009 -0.539 14.455 1.00 0.00 H new ATOM 1554 N LYS F 50 111.173 -4.170 10.949 1.00 0.00 N ATOM 1555 CA LYS F 50 110.616 -5.263 11.746 1.00 0.00 C ATOM 1556 C LYS F 50 110.433 -6.498 10.873 1.00 0.00 C ATOM 1557 O LYS F 50 110.696 -7.611 11.321 1.00 0.00 O ATOM 1558 CB LYS F 50 109.280 -4.832 12.380 1.00 0.00 C ATOM 1559 CG LYS F 50 108.718 -5.952 13.272 1.00 0.00 C ATOM 1560 CD LYS F 50 107.525 -5.429 14.091 1.00 0.00 C ATOM 1561 CE LYS F 50 106.333 -5.141 13.168 1.00 0.00 C ATOM 1562 NZ LYS F 50 105.112 -4.912 13.993 1.00 0.00 N ATOM 0 H LYS F 50 110.569 -3.352 10.873 1.00 0.00 H new ATOM 0 HA LYS F 50 111.308 -5.510 12.551 1.00 0.00 H new ATOM 0 HB2 LYS F 50 109.427 -3.928 12.971 1.00 0.00 H new ATOM 0 HB3 LYS F 50 108.562 -4.588 11.597 1.00 0.00 H new ATOM 0 HG2 LYS F 50 108.404 -6.795 12.656 1.00 0.00 H new ATOM 0 HG3 LYS F 50 109.496 -6.319 13.942 1.00 0.00 H new ATOM 0 HD2 LYS F 50 107.242 -6.164 14.844 1.00 0.00 H new ATOM 0 HD3 LYS F 50 107.810 -4.521 14.623 1.00 0.00 H new ATOM 0 HE2 LYS F 50 106.539 -4.265 12.552 1.00 0.00 H new ATOM 0 HE3 LYS F 50 106.174 -5.978 12.488 1.00 0.00 H new ATOM 0 HZ1 LYS F 50 104.303 -4.717 13.369 1.00 0.00 H new ATOM 0 HZ2 LYS F 50 104.914 -5.760 14.562 1.00 0.00 H new ATOM 0 HZ3 LYS F 50 105.267 -4.100 14.624 1.00 0.00 H new ATOM 1576 N LEU F 51 110.011 -6.296 9.617 1.00 0.00 N ATOM 1577 CA LEU F 51 109.839 -7.415 8.690 1.00 0.00 C ATOM 1578 C LEU F 51 111.161 -8.101 8.444 1.00 0.00 C ATOM 1579 O LEU F 51 111.224 -9.322 8.374 1.00 0.00 O ATOM 1580 CB LEU F 51 109.311 -6.939 7.346 1.00 0.00 C ATOM 1581 CG LEU F 51 107.837 -6.578 7.422 1.00 0.00 C ATOM 1582 CD1 LEU F 51 107.360 -6.250 6.007 1.00 0.00 C ATOM 1583 CD2 LEU F 51 107.022 -7.758 7.987 1.00 0.00 C ATOM 0 H LEU F 51 109.786 -5.381 9.227 1.00 0.00 H new ATOM 0 HA LEU F 51 109.127 -8.102 9.146 1.00 0.00 H new ATOM 0 HB2 LEU F 51 109.882 -6.071 7.016 1.00 0.00 H new ATOM 0 HB3 LEU F 51 109.457 -7.720 6.599 1.00 0.00 H new ATOM 0 HG LEU F 51 107.697 -5.722 8.083 1.00 0.00 H new ATOM 0 HD11 LEU F 51 106.303 -5.987 6.031 1.00 0.00 H new ATOM 0 HD12 LEU F 51 107.934 -5.410 5.615 1.00 0.00 H new ATOM 0 HD13 LEU F 51 107.503 -7.119 5.364 1.00 0.00 H new ATOM 0 HD21 LEU F 51 105.968 -7.483 8.035 1.00 0.00 H new ATOM 0 HD22 LEU F 51 107.141 -8.626 7.339 1.00 0.00 H new ATOM 0 HD23 LEU F 51 107.379 -8.001 8.988 1.00 0.00 H new ATOM 1595 N ASN F 52 112.219 -7.302 8.323 1.00 0.00 N ATOM 1596 CA ASN F 52 113.547 -7.851 8.103 1.00 0.00 C ATOM 1597 C ASN F 52 113.859 -8.827 9.250 1.00 0.00 C ATOM 1598 O ASN F 52 114.470 -9.876 9.038 1.00 0.00 O ATOM 1599 CB ASN F 52 114.580 -6.700 7.990 1.00 0.00 C ATOM 1600 CG ASN F 52 115.718 -6.844 8.993 1.00 0.00 C ATOM 1601 OD1 ASN F 52 116.659 -7.607 8.779 1.00 0.00 O ATOM 1602 ND2 ASN F 52 115.671 -6.143 10.079 1.00 0.00 N ATOM 0 H ASN F 52 112.180 -6.284 8.373 1.00 0.00 H new ATOM 0 HA ASN F 52 113.598 -8.403 7.165 1.00 0.00 H new ATOM 0 HB2 ASN F 52 114.989 -6.680 6.980 1.00 0.00 H new ATOM 0 HB3 ASN F 52 114.077 -5.746 8.149 1.00 0.00 H new ATOM 0 HD21 ASN F 52 116.419 -6.220 10.768 1.00 0.00 H new ATOM 0 HD22 ASN F 52 114.886 -5.514 10.246 1.00 0.00 H new ATOM 1609 N ASP F 53 113.381 -8.470 10.452 1.00 0.00 N ATOM 1610 CA ASP F 53 113.546 -9.305 11.643 1.00 0.00 C ATOM 1611 C ASP F 53 112.530 -10.460 11.638 1.00 0.00 C ATOM 1612 O ASP F 53 112.842 -11.580 12.050 1.00 0.00 O ATOM 1613 CB ASP F 53 113.357 -8.454 12.906 1.00 0.00 C ATOM 1614 CG ASP F 53 113.664 -9.284 14.154 1.00 0.00 C ATOM 1615 OD1 ASP F 53 114.830 -9.387 14.504 1.00 0.00 O ATOM 1616 OD2 ASP F 53 112.730 -9.808 14.740 1.00 0.00 O ATOM 0 H ASP F 53 112.874 -7.601 10.621 1.00 0.00 H new ATOM 0 HA ASP F 53 114.552 -9.725 11.636 1.00 0.00 H new ATOM 0 HB2 ASP F 53 114.013 -7.584 12.869 1.00 0.00 H new ATOM 0 HB3 ASP F 53 112.334 -8.080 12.952 1.00 0.00 H new ATOM 1621 N ALA F 54 111.309 -10.159 11.178 1.00 0.00 N ATOM 1622 CA ALA F 54 110.222 -11.144 11.116 1.00 0.00 C ATOM 1623 C ALA F 54 110.480 -12.204 10.040 1.00 0.00 C ATOM 1624 O ALA F 54 110.096 -13.367 10.198 1.00 0.00 O ATOM 1625 CB ALA F 54 108.897 -10.427 10.816 1.00 0.00 C ATOM 0 H ALA F 54 111.048 -9.233 10.841 1.00 0.00 H new ATOM 0 HA ALA F 54 110.170 -11.647 12.081 1.00 0.00 H new ATOM 0 HB1 ALA F 54 108.090 -11.158 10.770 1.00 0.00 H new ATOM 0 HB2 ALA F 54 108.688 -9.705 11.605 1.00 0.00 H new ATOM 0 HB3 ALA F 54 108.972 -9.909 9.860 1.00 0.00 H new ATOM 1631 N GLN F 55 111.123 -11.783 8.948 1.00 0.00 N ATOM 1632 CA GLN F 55 111.435 -12.673 7.826 1.00 0.00 C ATOM 1633 C GLN F 55 112.833 -13.264 7.984 1.00 0.00 C ATOM 1634 O GLN F 55 113.226 -14.167 7.240 1.00 0.00 O ATOM 1635 CB GLN F 55 111.356 -11.896 6.502 1.00 0.00 C ATOM 1636 CG GLN F 55 109.918 -11.405 6.273 1.00 0.00 C ATOM 1637 CD GLN F 55 109.793 -10.713 4.912 1.00 0.00 C ATOM 1638 OE1 GLN F 55 110.337 -11.188 3.914 1.00 0.00 O ATOM 1639 NE2 GLN F 55 109.095 -9.614 4.811 1.00 0.00 N ATOM 0 H GLN F 55 111.440 -10.823 8.816 1.00 0.00 H new ATOM 0 HA GLN F 55 110.706 -13.484 7.817 1.00 0.00 H new ATOM 0 HB2 GLN F 55 112.040 -11.048 6.526 1.00 0.00 H new ATOM 0 HB3 GLN F 55 111.668 -12.534 5.676 1.00 0.00 H new ATOM 0 HG2 GLN F 55 109.228 -12.248 6.323 1.00 0.00 H new ATOM 0 HG3 GLN F 55 109.634 -10.713 7.066 1.00 0.00 H new ATOM 0 HE21 GLN F 55 108.644 -9.219 5.636 1.00 0.00 H new ATOM 0 HE22 GLN F 55 109.001 -9.151 3.907 1.00 0.00 H new ATOM 1648 N ALA F 56 113.575 -12.727 8.951 1.00 0.00 N ATOM 1649 CA ALA F 56 114.933 -13.161 9.226 1.00 0.00 C ATOM 1650 C ALA F 56 114.992 -14.642 9.606 1.00 0.00 C ATOM 1651 O ALA F 56 113.966 -15.269 9.892 1.00 0.00 O ATOM 1652 CB ALA F 56 115.519 -12.317 10.366 1.00 0.00 C ATOM 0 H ALA F 56 113.247 -11.980 9.563 1.00 0.00 H new ATOM 0 HA ALA F 56 115.517 -13.026 8.316 1.00 0.00 H new ATOM 0 HB1 ALA F 56 116.538 -12.643 10.573 1.00 0.00 H new ATOM 0 HB2 ALA F 56 115.525 -11.267 10.075 1.00 0.00 H new ATOM 0 HB3 ALA F 56 114.910 -12.442 11.261 1.00 0.00 H new