USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 965 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: A 106 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 109 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 43 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 47 HIS : no HD1:sc= -0.361 X(o=-0.63,f=-0.99) USER MOD Set 2.3: A 69 MET CE :methyl -167:sc= -0.269 (180deg=-0.524) USER MOD Single : A 1 MET CE :methyl 168:sc= -0.0172 (180deg=-0.229) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -158:sc= 0.485 (180deg=-0.211) USER MOD Single : A 10 LYS NZ :NH3+ 169:sc= -0.0089 (180deg=-0.142) USER MOD Single : A 12 THR OG1 : rot 60:sc= 0.812 USER MOD Single : A 16 LYS NZ :NH3+ 170:sc= -0.0039 (180deg=-0.126) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 21 ASN : amide:sc= 0.45 X(o=0.45,f=-0.023) USER MOD Single : A 23 ASN : amide:sc= -0.679 K(o=-0.68,f=-8!) USER MOD Single : A 27 LYS NZ :NH3+ 171:sc= 0.213 (180deg=0.181) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -1.37 K(o=-1.4,f=0) USER MOD Single : A 36 MET CE :methyl -176:sc= -1.43 (180deg=-1.47) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.291 K(o=-0.29,f=-4.5!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 71:sc= 0.0841 USER MOD Single : A 49 MET CE :methyl -175:sc= -1.58 (180deg=-1.62) USER MOD Single : A 50 LYS NZ :NH3+ 179:sc= 0.482 (180deg=0.48) USER MOD Single : A 53 THR OG1 : rot -82:sc= -3.39! USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 148:sc= 0 (180deg=-1.14) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot -49:sc= 1.18 USER MOD Single : A 70 ASN : amide:sc= -0.359 X(o=-0.36,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl 176:sc= -2.01! (180deg=-2.04) USER MOD Single : A 77 ASN : amide:sc= -0.652 K(o=-0.65,f=-3.3!) USER MOD Single : A 78 SER OG : rot -33:sc= 0.432 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0295) USER MOD Single : A 91 LYS NZ :NH3+ 176:sc= 0.781 (180deg=0.763) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl -170:sc= 0 (180deg=-0.171) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.0715 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ -113:sc= 1.21 (180deg=-0.13) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.039 1.557 13.642 1.00 41.44 N ATOM 2 CA MET A 1 -19.413 2.177 14.838 1.00 44.24 C ATOM 3 C MET A 1 -19.042 1.096 15.897 1.00 65.40 C ATOM 4 O MET A 1 -19.889 0.627 16.668 1.00 34.32 O ATOM 5 CB MET A 1 -20.337 3.292 15.429 1.00 63.31 C ATOM 6 CG MET A 1 -21.770 2.856 15.786 1.00 5.32 C ATOM 7 SD MET A 1 -22.752 4.179 16.531 1.00 43.41 S ATOM 8 CE MET A 1 -22.901 5.340 15.172 1.00 1.44 C ATOM 0 H1 MET A 1 -20.277 2.297 12.952 1.00 41.44 H new ATOM 0 H2 MET A 1 -19.374 0.883 13.212 1.00 41.44 H new ATOM 0 H3 MET A 1 -20.905 1.056 13.924 1.00 41.44 H new ATOM 0 HA MET A 1 -18.482 2.656 14.534 1.00 44.24 H new ATOM 0 HB2 MET A 1 -19.865 3.691 16.327 1.00 63.31 H new ATOM 0 HB3 MET A 1 -20.395 4.109 14.709 1.00 63.31 H new ATOM 0 HG2 MET A 1 -22.271 2.504 14.884 1.00 5.32 H new ATOM 0 HG3 MET A 1 -21.725 2.013 16.476 1.00 5.32 H new ATOM 0 HE1 MET A 1 -23.651 6.092 15.417 1.00 1.44 H new ATOM 0 HE2 MET A 1 -21.941 5.827 15.002 1.00 1.44 H new ATOM 0 HE3 MET A 1 -23.202 4.808 14.270 1.00 1.44 H new ATOM 20 N GLY A 2 -17.762 0.674 15.901 1.00 24.41 N ATOM 21 CA GLY A 2 -17.248 -0.281 16.900 1.00 71.34 C ATOM 22 C GLY A 2 -16.759 0.423 18.172 1.00 13.14 C ATOM 23 O GLY A 2 -15.621 0.223 18.600 1.00 1.31 O ATOM 0 H GLY A 2 -17.065 0.981 15.222 1.00 24.41 H new ATOM 0 HA2 GLY A 2 -18.033 -0.992 17.158 1.00 71.34 H new ATOM 0 HA3 GLY A 2 -16.429 -0.854 16.465 1.00 71.34 H new ATOM 27 N SER A 3 -17.654 1.247 18.762 1.00 43.32 N ATOM 28 CA SER A 3 -17.365 2.126 19.925 1.00 61.11 C ATOM 29 C SER A 3 -16.119 3.033 19.682 1.00 14.22 C ATOM 30 O SER A 3 -16.268 4.186 19.263 1.00 63.34 O ATOM 31 CB SER A 3 -17.245 1.311 21.238 1.00 45.11 C ATOM 32 OG SER A 3 -18.429 0.576 21.513 1.00 61.54 O ATOM 0 H SER A 3 -18.618 1.323 18.439 1.00 43.32 H new ATOM 0 HA SER A 3 -18.217 2.796 20.039 1.00 61.11 H new ATOM 0 HB2 SER A 3 -16.401 0.626 21.164 1.00 45.11 H new ATOM 0 HB3 SER A 3 -17.036 1.987 22.067 1.00 45.11 H new ATOM 0 HG SER A 3 -18.316 0.073 22.347 1.00 61.54 H new ATOM 38 N HIS A 4 -14.898 2.499 19.939 1.00 33.15 N ATOM 39 CA HIS A 4 -13.603 3.188 19.662 1.00 73.30 C ATOM 40 C HIS A 4 -12.513 2.145 19.298 1.00 61.13 C ATOM 41 O HIS A 4 -11.923 2.185 18.211 1.00 50.33 O ATOM 42 CB HIS A 4 -13.123 4.039 20.881 1.00 14.31 C ATOM 43 CG HIS A 4 -14.013 5.205 21.225 1.00 70.33 C ATOM 44 ND1 HIS A 4 -14.013 6.379 20.509 1.00 12.11 N ATOM 45 CD2 HIS A 4 -14.945 5.367 22.195 1.00 54.25 C ATOM 46 CE1 HIS A 4 -14.897 7.206 21.014 1.00 54.31 C ATOM 47 NE2 HIS A 4 -15.478 6.623 22.041 1.00 63.53 N ATOM 0 H HIS A 4 -14.779 1.572 20.347 1.00 33.15 H new ATOM 0 HA HIS A 4 -13.766 3.864 18.823 1.00 73.30 H new ATOM 0 HB2 HIS A 4 -13.046 3.389 21.753 1.00 14.31 H new ATOM 0 HB3 HIS A 4 -12.121 4.414 20.673 1.00 14.31 H new ATOM 0 HD2 HIS A 4 -15.218 4.643 22.949 1.00 54.25 H new ATOM 0 HE1 HIS A 4 -15.112 8.199 20.648 1.00 54.31 H new ATOM 0 HE2 HIS A 4 -16.204 7.036 22.626 1.00 63.53 H new ATOM 56 N GLN A 5 -12.250 1.218 20.240 1.00 55.52 N ATOM 57 CA GLN A 5 -11.207 0.169 20.100 1.00 75.12 C ATOM 58 C GLN A 5 -11.612 -0.920 19.088 1.00 14.11 C ATOM 59 O GLN A 5 -10.801 -1.322 18.248 1.00 41.14 O ATOM 60 CB GLN A 5 -10.910 -0.477 21.478 1.00 65.20 C ATOM 61 CG GLN A 5 -10.398 0.507 22.551 1.00 3.31 C ATOM 62 CD GLN A 5 -10.109 -0.174 23.892 1.00 25.52 C ATOM 63 OE1 GLN A 5 -9.005 -0.645 24.144 1.00 1.41 O ATOM 64 NE2 GLN A 5 -11.103 -0.262 24.752 1.00 14.31 N ATOM 0 H GLN A 5 -12.754 1.171 21.125 1.00 55.52 H new ATOM 0 HA GLN A 5 -10.308 0.654 19.721 1.00 75.12 H new ATOM 0 HB2 GLN A 5 -11.819 -0.954 21.845 1.00 65.20 H new ATOM 0 HB3 GLN A 5 -10.169 -1.265 21.343 1.00 65.20 H new ATOM 0 HG2 GLN A 5 -9.490 0.990 22.191 1.00 3.31 H new ATOM 0 HG3 GLN A 5 -11.139 1.293 22.700 1.00 3.31 H new ATOM 0 HE21 GLN A 5 -12.013 0.137 24.522 1.00 14.31 H new ATOM 0 HE22 GLN A 5 -10.962 -0.729 25.648 1.00 14.31 H new ATOM 73 N GLU A 6 -12.877 -1.389 19.178 1.00 23.43 N ATOM 74 CA GLU A 6 -13.410 -2.443 18.274 1.00 30.35 C ATOM 75 C GLU A 6 -13.441 -1.949 16.805 1.00 63.42 C ATOM 76 O GLU A 6 -13.284 -2.741 15.874 1.00 3.21 O ATOM 77 CB GLU A 6 -14.826 -2.896 18.722 1.00 44.43 C ATOM 78 CG GLU A 6 -14.958 -3.272 20.215 1.00 21.55 C ATOM 79 CD GLU A 6 -14.001 -4.388 20.669 1.00 44.51 C ATOM 80 OE1 GLU A 6 -14.275 -5.576 20.392 1.00 44.40 O ATOM 81 OE2 GLU A 6 -12.966 -4.088 21.313 1.00 21.13 O ATOM 0 H GLU A 6 -13.551 -1.056 19.867 1.00 23.43 H new ATOM 0 HA GLU A 6 -12.741 -3.301 18.334 1.00 30.35 H new ATOM 0 HB2 GLU A 6 -15.532 -2.095 18.502 1.00 44.43 H new ATOM 0 HB3 GLU A 6 -15.122 -3.756 18.120 1.00 44.43 H new ATOM 0 HG2 GLU A 6 -14.776 -2.384 20.820 1.00 21.55 H new ATOM 0 HG3 GLU A 6 -15.983 -3.586 20.410 1.00 21.55 H new ATOM 88 N TYR A 7 -13.631 -0.625 16.631 1.00 75.24 N ATOM 89 CA TYR A 7 -13.512 0.062 15.323 1.00 14.44 C ATOM 90 C TYR A 7 -12.113 -0.183 14.711 1.00 23.33 C ATOM 91 O TYR A 7 -11.999 -0.696 13.603 1.00 4.21 O ATOM 92 CB TYR A 7 -13.770 1.583 15.508 1.00 2.51 C ATOM 93 CG TYR A 7 -13.635 2.439 14.225 1.00 33.32 C ATOM 94 CD1 TYR A 7 -14.685 2.533 13.309 1.00 70.32 C ATOM 95 CD2 TYR A 7 -12.462 3.156 13.939 1.00 10.34 C ATOM 96 CE1 TYR A 7 -14.574 3.299 12.163 1.00 12.43 C ATOM 97 CE2 TYR A 7 -12.350 3.922 12.792 1.00 64.10 C ATOM 98 CZ TYR A 7 -13.407 3.992 11.909 1.00 45.33 C ATOM 99 OH TYR A 7 -13.299 4.762 10.765 1.00 42.41 O ATOM 0 H TYR A 7 -13.873 0.004 17.397 1.00 75.24 H new ATOM 0 HA TYR A 7 -14.257 -0.342 14.637 1.00 14.44 H new ATOM 0 HB2 TYR A 7 -14.774 1.718 15.911 1.00 2.51 H new ATOM 0 HB3 TYR A 7 -13.073 1.965 16.254 1.00 2.51 H new ATOM 0 HD1 TYR A 7 -15.603 1.996 13.500 1.00 70.32 H new ATOM 0 HD2 TYR A 7 -11.631 3.109 14.627 1.00 10.34 H new ATOM 0 HE1 TYR A 7 -15.399 3.355 11.468 1.00 12.43 H new ATOM 0 HE2 TYR A 7 -11.438 4.463 12.589 1.00 64.10 H new ATOM 0 HH TYR A 7 -12.415 5.185 10.737 1.00 42.41 H new ATOM 109 N ILE A 8 -11.066 0.159 15.487 1.00 73.22 N ATOM 110 CA ILE A 8 -9.644 -0.020 15.090 1.00 44.12 C ATOM 111 C ILE A 8 -9.306 -1.509 14.786 1.00 74.11 C ATOM 112 O ILE A 8 -8.557 -1.806 13.846 1.00 72.01 O ATOM 113 CB ILE A 8 -8.691 0.553 16.216 1.00 41.32 C ATOM 114 CG1 ILE A 8 -8.906 2.094 16.395 1.00 52.32 C ATOM 115 CG2 ILE A 8 -7.193 0.232 15.955 1.00 32.04 C ATOM 116 CD1 ILE A 8 -8.571 2.932 15.164 1.00 73.41 C ATOM 0 H ILE A 8 -11.177 0.570 16.414 1.00 73.22 H new ATOM 0 HA ILE A 8 -9.483 0.538 14.168 1.00 44.12 H new ATOM 0 HB ILE A 8 -8.963 0.050 17.144 1.00 41.32 H new ATOM 0 HG12 ILE A 8 -9.946 2.273 16.667 1.00 52.32 H new ATOM 0 HG13 ILE A 8 -8.295 2.438 17.229 1.00 52.32 H new ATOM 0 HG21 ILE A 8 -6.586 0.649 16.759 1.00 32.04 H new ATOM 0 HG22 ILE A 8 -7.053 -0.848 15.918 1.00 32.04 H new ATOM 0 HG23 ILE A 8 -6.887 0.670 15.005 1.00 32.04 H new ATOM 0 HD11 ILE A 8 -8.750 3.985 15.381 1.00 73.41 H new ATOM 0 HD12 ILE A 8 -7.523 2.789 14.901 1.00 73.41 H new ATOM 0 HD13 ILE A 8 -9.200 2.621 14.330 1.00 73.41 H new ATOM 128 N LYS A 9 -9.897 -2.425 15.568 1.00 13.14 N ATOM 129 CA LYS A 9 -9.714 -3.885 15.396 1.00 71.44 C ATOM 130 C LYS A 9 -10.323 -4.396 14.060 1.00 43.23 C ATOM 131 O LYS A 9 -9.764 -5.295 13.431 1.00 2.21 O ATOM 132 CB LYS A 9 -10.319 -4.622 16.619 1.00 62.02 C ATOM 133 CG LYS A 9 -9.567 -4.337 17.946 1.00 53.02 C ATOM 134 CD LYS A 9 -10.353 -4.765 19.209 1.00 55.01 C ATOM 135 CE LYS A 9 -10.704 -6.263 19.246 1.00 20.13 C ATOM 136 NZ LYS A 9 -11.458 -6.623 20.476 1.00 3.43 N ATOM 0 H LYS A 9 -10.517 -2.180 16.340 1.00 13.14 H new ATOM 0 HA LYS A 9 -8.647 -4.099 15.343 1.00 71.44 H new ATOM 0 HB2 LYS A 9 -11.362 -4.328 16.731 1.00 62.02 H new ATOM 0 HB3 LYS A 9 -10.309 -5.695 16.428 1.00 62.02 H new ATOM 0 HG2 LYS A 9 -8.610 -4.858 17.930 1.00 53.02 H new ATOM 0 HG3 LYS A 9 -9.349 -3.271 18.008 1.00 53.02 H new ATOM 0 HD2 LYS A 9 -9.765 -4.518 20.093 1.00 55.01 H new ATOM 0 HD3 LYS A 9 -11.274 -4.184 19.266 1.00 55.01 H new ATOM 0 HE2 LYS A 9 -11.297 -6.519 18.368 1.00 20.13 H new ATOM 0 HE3 LYS A 9 -9.788 -6.852 19.195 1.00 20.13 H new ATOM 0 HZ1 LYS A 9 -11.357 -7.642 20.660 1.00 3.43 H new ATOM 0 HZ2 LYS A 9 -11.081 -6.087 21.284 1.00 3.43 H new ATOM 0 HZ3 LYS A 9 -12.464 -6.393 20.346 1.00 3.43 H new ATOM 150 N LYS A 10 -11.472 -3.816 13.642 1.00 70.13 N ATOM 151 CA LYS A 10 -12.076 -4.077 12.300 1.00 12.33 C ATOM 152 C LYS A 10 -11.226 -3.435 11.172 1.00 73.31 C ATOM 153 O LYS A 10 -11.035 -4.038 10.115 1.00 32.23 O ATOM 154 CB LYS A 10 -13.562 -3.573 12.225 1.00 72.42 C ATOM 155 CG LYS A 10 -14.631 -4.614 12.656 1.00 3.42 C ATOM 156 CD LYS A 10 -14.532 -5.034 14.141 1.00 60.22 C ATOM 157 CE LYS A 10 -15.491 -6.182 14.500 1.00 73.23 C ATOM 158 NZ LYS A 10 -15.152 -7.440 13.782 1.00 45.24 N ATOM 0 H LYS A 10 -12.007 -3.161 14.212 1.00 70.13 H new ATOM 0 HA LYS A 10 -12.083 -5.157 12.154 1.00 12.33 H new ATOM 0 HB2 LYS A 10 -13.662 -2.689 12.855 1.00 72.42 H new ATOM 0 HB3 LYS A 10 -13.773 -3.261 11.202 1.00 72.42 H new ATOM 0 HG2 LYS A 10 -15.622 -4.201 12.471 1.00 3.42 H new ATOM 0 HG3 LYS A 10 -14.533 -5.501 12.030 1.00 3.42 H new ATOM 0 HD2 LYS A 10 -13.509 -5.339 14.360 1.00 60.22 H new ATOM 0 HD3 LYS A 10 -14.750 -4.173 14.773 1.00 60.22 H new ATOM 0 HE2 LYS A 10 -15.458 -6.359 15.575 1.00 73.23 H new ATOM 0 HE3 LYS A 10 -16.512 -5.890 14.256 1.00 73.23 H new ATOM 0 HZ1 LYS A 10 -15.697 -8.228 14.186 1.00 45.24 H new ATOM 0 HZ2 LYS A 10 -15.386 -7.338 12.774 1.00 45.24 H new ATOM 0 HZ3 LYS A 10 -14.135 -7.634 13.883 1.00 45.24 H new ATOM 172 N VAL A 11 -10.713 -2.211 11.429 1.00 41.42 N ATOM 173 CA VAL A 11 -9.818 -1.468 10.498 1.00 31.52 C ATOM 174 C VAL A 11 -8.469 -2.219 10.281 1.00 44.23 C ATOM 175 O VAL A 11 -7.810 -2.062 9.243 1.00 15.00 O ATOM 176 CB VAL A 11 -9.593 0.012 11.018 1.00 50.05 C ATOM 177 CG1 VAL A 11 -8.539 0.788 10.191 1.00 72.33 C ATOM 178 CG2 VAL A 11 -10.935 0.793 11.038 1.00 2.41 C ATOM 0 H VAL A 11 -10.906 -1.703 12.292 1.00 41.42 H new ATOM 0 HA VAL A 11 -10.304 -1.412 9.524 1.00 31.52 H new ATOM 0 HB VAL A 11 -9.204 -0.072 12.033 1.00 50.05 H new ATOM 0 HG11 VAL A 11 -8.429 1.794 10.595 1.00 72.33 H new ATOM 0 HG12 VAL A 11 -7.582 0.269 10.243 1.00 72.33 H new ATOM 0 HG13 VAL A 11 -8.863 0.847 9.152 1.00 72.33 H new ATOM 0 HG21 VAL A 11 -10.761 1.807 11.398 1.00 2.41 H new ATOM 0 HG22 VAL A 11 -11.349 0.832 10.030 1.00 2.41 H new ATOM 0 HG23 VAL A 11 -11.639 0.289 11.700 1.00 2.41 H new ATOM 188 N THR A 12 -8.096 -3.069 11.254 1.00 54.11 N ATOM 189 CA THR A 12 -6.925 -3.966 11.128 1.00 73.10 C ATOM 190 C THR A 12 -7.188 -5.063 10.063 1.00 33.31 C ATOM 191 O THR A 12 -6.301 -5.392 9.277 1.00 31.14 O ATOM 192 CB THR A 12 -6.551 -4.624 12.499 1.00 44.35 C ATOM 193 OG1 THR A 12 -6.335 -3.595 13.482 1.00 53.44 O ATOM 194 CG2 THR A 12 -5.286 -5.506 12.409 1.00 43.44 C ATOM 0 H THR A 12 -8.589 -3.156 12.142 1.00 54.11 H new ATOM 0 HA THR A 12 -6.081 -3.356 10.807 1.00 73.10 H new ATOM 0 HB THR A 12 -7.383 -5.267 12.785 1.00 44.35 H new ATOM 0 HG1 THR A 12 -7.155 -3.069 13.591 1.00 53.44 H new ATOM 0 HG21 THR A 12 -5.073 -5.937 13.387 1.00 43.44 H new ATOM 0 HG22 THR A 12 -5.451 -6.307 11.688 1.00 43.44 H new ATOM 0 HG23 THR A 12 -4.440 -4.898 12.088 1.00 43.44 H new ATOM 202 N ASP A 13 -8.425 -5.603 10.022 1.00 62.23 N ATOM 203 CA ASP A 13 -8.842 -6.575 8.975 1.00 13.11 C ATOM 204 C ASP A 13 -9.007 -5.881 7.603 1.00 61.23 C ATOM 205 O ASP A 13 -8.785 -6.503 6.557 1.00 21.32 O ATOM 206 CB ASP A 13 -10.164 -7.278 9.357 1.00 43.11 C ATOM 207 CG ASP A 13 -10.092 -7.988 10.710 1.00 72.40 C ATOM 208 OD1 ASP A 13 -9.464 -9.069 10.795 1.00 13.21 O ATOM 209 OD2 ASP A 13 -10.651 -7.471 11.697 1.00 52.24 O ATOM 0 H ASP A 13 -9.156 -5.386 10.699 1.00 62.23 H new ATOM 0 HA ASP A 13 -8.053 -7.323 8.902 1.00 13.11 H new ATOM 0 HB2 ASP A 13 -10.967 -6.542 9.381 1.00 43.11 H new ATOM 0 HB3 ASP A 13 -10.420 -8.004 8.585 1.00 43.11 H new ATOM 214 N GLU A 14 -9.412 -4.592 7.624 1.00 60.45 N ATOM 215 CA GLU A 14 -9.475 -3.743 6.409 1.00 31.53 C ATOM 216 C GLU A 14 -8.066 -3.537 5.820 1.00 52.54 C ATOM 217 O GLU A 14 -7.917 -3.433 4.612 1.00 10.43 O ATOM 218 CB GLU A 14 -10.125 -2.369 6.728 1.00 11.15 C ATOM 219 CG GLU A 14 -11.551 -2.441 7.304 1.00 51.23 C ATOM 220 CD GLU A 14 -12.588 -3.070 6.355 1.00 13.04 C ATOM 221 OE1 GLU A 14 -13.209 -2.326 5.571 1.00 41.12 O ATOM 222 OE2 GLU A 14 -12.796 -4.302 6.404 1.00 62.45 O ATOM 0 H GLU A 14 -9.703 -4.112 8.476 1.00 60.45 H new ATOM 0 HA GLU A 14 -10.093 -4.255 5.672 1.00 31.53 H new ATOM 0 HB2 GLU A 14 -9.489 -1.839 7.438 1.00 11.15 H new ATOM 0 HB3 GLU A 14 -10.148 -1.774 5.815 1.00 11.15 H new ATOM 0 HG2 GLU A 14 -11.527 -3.016 8.230 1.00 51.23 H new ATOM 0 HG3 GLU A 14 -11.877 -1.434 7.563 1.00 51.23 H new ATOM 229 N LEU A 15 -7.053 -3.474 6.706 1.00 35.13 N ATOM 230 CA LEU A 15 -5.620 -3.414 6.333 1.00 41.40 C ATOM 231 C LEU A 15 -5.169 -4.718 5.612 1.00 4.31 C ATOM 232 O LEU A 15 -4.487 -4.659 4.588 1.00 22.10 O ATOM 233 CB LEU A 15 -4.774 -3.115 7.618 1.00 51.13 C ATOM 234 CG LEU A 15 -3.196 -3.145 7.502 1.00 51.23 C ATOM 235 CD1 LEU A 15 -2.538 -2.090 8.428 1.00 22.33 C ATOM 236 CD2 LEU A 15 -2.625 -4.554 7.829 1.00 22.33 C ATOM 0 H LEU A 15 -7.205 -3.463 7.714 1.00 35.13 H new ATOM 0 HA LEU A 15 -5.459 -2.607 5.618 1.00 41.40 H new ATOM 0 HB2 LEU A 15 -5.062 -2.129 7.983 1.00 51.13 H new ATOM 0 HB3 LEU A 15 -5.065 -3.836 8.382 1.00 51.13 H new ATOM 0 HG LEU A 15 -2.955 -2.902 6.467 1.00 51.23 H new ATOM 0 HD11 LEU A 15 -1.454 -2.139 8.323 1.00 22.33 H new ATOM 0 HD12 LEU A 15 -2.885 -1.095 8.150 1.00 22.33 H new ATOM 0 HD13 LEU A 15 -2.811 -2.294 9.463 1.00 22.33 H new ATOM 0 HD21 LEU A 15 -1.539 -4.536 7.739 1.00 22.33 H new ATOM 0 HD22 LEU A 15 -2.900 -4.831 8.847 1.00 22.33 H new ATOM 0 HD23 LEU A 15 -3.035 -5.284 7.131 1.00 22.33 H new ATOM 248 N LYS A 16 -5.567 -5.891 6.163 1.00 55.04 N ATOM 249 CA LYS A 16 -5.305 -7.228 5.537 1.00 74.52 C ATOM 250 C LYS A 16 -5.931 -7.320 4.124 1.00 53.24 C ATOM 251 O LYS A 16 -5.281 -7.770 3.168 1.00 10.03 O ATOM 252 CB LYS A 16 -5.845 -8.389 6.440 1.00 44.14 C ATOM 253 CG LYS A 16 -4.874 -8.882 7.542 1.00 31.30 C ATOM 254 CD LYS A 16 -4.457 -7.780 8.538 1.00 42.33 C ATOM 255 CE LYS A 16 -3.455 -8.271 9.592 1.00 65.04 C ATOM 256 NZ LYS A 16 -2.188 -8.750 8.979 1.00 61.51 N ATOM 0 H LYS A 16 -6.075 -5.947 7.046 1.00 55.04 H new ATOM 0 HA LYS A 16 -4.224 -7.335 5.442 1.00 74.52 H new ATOM 0 HB2 LYS A 16 -6.768 -8.057 6.915 1.00 44.14 H new ATOM 0 HB3 LYS A 16 -6.101 -9.234 5.801 1.00 44.14 H new ATOM 0 HG2 LYS A 16 -5.345 -9.697 8.091 1.00 31.30 H new ATOM 0 HG3 LYS A 16 -3.980 -9.291 7.070 1.00 31.30 H new ATOM 0 HD2 LYS A 16 -4.018 -6.948 7.988 1.00 42.33 H new ATOM 0 HD3 LYS A 16 -5.345 -7.397 9.040 1.00 42.33 H new ATOM 0 HE2 LYS A 16 -3.237 -7.462 10.289 1.00 65.04 H new ATOM 0 HE3 LYS A 16 -3.905 -9.078 10.171 1.00 65.04 H new ATOM 0 HZ1 LYS A 16 -1.481 -8.912 9.724 1.00 61.51 H new ATOM 0 HZ2 LYS A 16 -2.363 -9.639 8.469 1.00 61.51 H new ATOM 0 HZ3 LYS A 16 -1.832 -8.034 8.314 1.00 61.51 H new ATOM 270 N GLU A 17 -7.194 -6.871 4.022 1.00 4.03 N ATOM 271 CA GLU A 17 -7.942 -6.794 2.745 1.00 11.31 C ATOM 272 C GLU A 17 -7.244 -5.852 1.745 1.00 55.34 C ATOM 273 O GLU A 17 -7.062 -6.189 0.577 1.00 71.14 O ATOM 274 CB GLU A 17 -9.390 -6.294 3.007 1.00 2.42 C ATOM 275 CG GLU A 17 -10.237 -6.068 1.732 1.00 60.12 C ATOM 276 CD GLU A 17 -11.644 -5.527 2.025 1.00 54.10 C ATOM 277 OE1 GLU A 17 -11.785 -4.305 2.265 1.00 22.44 O ATOM 278 OE2 GLU A 17 -12.610 -6.323 2.028 1.00 33.42 O ATOM 0 H GLU A 17 -7.732 -6.548 4.826 1.00 4.03 H new ATOM 0 HA GLU A 17 -7.972 -7.794 2.312 1.00 11.31 H new ATOM 0 HB2 GLU A 17 -9.900 -7.018 3.642 1.00 2.42 H new ATOM 0 HB3 GLU A 17 -9.341 -5.359 3.565 1.00 2.42 H new ATOM 0 HG2 GLU A 17 -9.716 -5.370 1.077 1.00 60.12 H new ATOM 0 HG3 GLU A 17 -10.323 -7.010 1.190 1.00 60.12 H new ATOM 285 N LEU A 18 -6.835 -4.694 2.255 1.00 22.14 N ATOM 286 CA LEU A 18 -6.256 -3.590 1.464 1.00 42.13 C ATOM 287 C LEU A 18 -4.976 -4.037 0.731 1.00 4.45 C ATOM 288 O LEU A 18 -4.839 -3.845 -0.483 1.00 72.11 O ATOM 289 CB LEU A 18 -5.980 -2.380 2.427 1.00 55.44 C ATOM 290 CG LEU A 18 -6.436 -0.968 1.948 1.00 5.33 C ATOM 291 CD1 LEU A 18 -7.821 -1.031 1.285 1.00 60.14 C ATOM 292 CD2 LEU A 18 -6.439 0.033 3.126 1.00 23.04 C ATOM 0 H LEU A 18 -6.894 -4.483 3.251 1.00 22.14 H new ATOM 0 HA LEU A 18 -6.961 -3.283 0.691 1.00 42.13 H new ATOM 0 HB2 LEU A 18 -6.469 -2.588 3.379 1.00 55.44 H new ATOM 0 HB3 LEU A 18 -4.908 -2.341 2.621 1.00 55.44 H new ATOM 0 HG LEU A 18 -5.722 -0.618 1.202 1.00 5.33 H new ATOM 0 HD11 LEU A 18 -8.115 -0.033 0.960 1.00 60.14 H new ATOM 0 HD12 LEU A 18 -7.782 -1.696 0.422 1.00 60.14 H new ATOM 0 HD13 LEU A 18 -8.550 -1.409 2.001 1.00 60.14 H new ATOM 0 HD21 LEU A 18 -6.760 1.012 2.771 1.00 23.04 H new ATOM 0 HD22 LEU A 18 -7.125 -0.316 3.898 1.00 23.04 H new ATOM 0 HD23 LEU A 18 -5.434 0.109 3.541 1.00 23.04 H new ATOM 304 N ILE A 19 -4.061 -4.645 1.504 1.00 11.14 N ATOM 305 CA ILE A 19 -2.811 -5.232 0.988 1.00 72.04 C ATOM 306 C ILE A 19 -3.110 -6.356 -0.044 1.00 53.13 C ATOM 307 O ILE A 19 -2.557 -6.342 -1.136 1.00 50.14 O ATOM 308 CB ILE A 19 -1.933 -5.778 2.179 1.00 61.24 C ATOM 309 CG1 ILE A 19 -1.547 -4.614 3.163 1.00 64.02 C ATOM 310 CG2 ILE A 19 -0.663 -6.515 1.676 1.00 42.03 C ATOM 311 CD1 ILE A 19 -0.922 -5.068 4.473 1.00 43.20 C ATOM 0 H ILE A 19 -4.168 -4.744 2.513 1.00 11.14 H new ATOM 0 HA ILE A 19 -2.249 -4.452 0.475 1.00 72.04 H new ATOM 0 HB ILE A 19 -2.537 -6.507 2.719 1.00 61.24 H new ATOM 0 HG12 ILE A 19 -0.851 -3.945 2.657 1.00 64.02 H new ATOM 0 HG13 ILE A 19 -2.442 -4.033 3.386 1.00 64.02 H new ATOM 0 HG21 ILE A 19 -0.088 -6.874 2.530 1.00 42.03 H new ATOM 0 HG22 ILE A 19 -0.956 -7.361 1.054 1.00 42.03 H new ATOM 0 HG23 ILE A 19 -0.052 -5.828 1.090 1.00 42.03 H new ATOM 0 HD11 ILE A 19 -0.689 -4.197 5.086 1.00 43.20 H new ATOM 0 HD12 ILE A 19 -1.622 -5.711 5.006 1.00 43.20 H new ATOM 0 HD13 ILE A 19 -0.006 -5.621 4.267 1.00 43.20 H new ATOM 323 N GLN A 20 -4.038 -7.278 0.303 1.00 32.24 N ATOM 324 CA GLN A 20 -4.454 -8.410 -0.585 1.00 41.53 C ATOM 325 C GLN A 20 -4.882 -7.924 -1.998 1.00 43.32 C ATOM 326 O GLN A 20 -4.416 -8.461 -3.016 1.00 71.34 O ATOM 327 CB GLN A 20 -5.626 -9.204 0.061 1.00 52.24 C ATOM 328 CG GLN A 20 -6.197 -10.357 -0.809 1.00 53.05 C ATOM 329 CD GLN A 20 -7.353 -11.116 -0.145 1.00 52.30 C ATOM 330 OE1 GLN A 20 -8.112 -10.559 0.645 1.00 64.43 O ATOM 331 NE2 GLN A 20 -7.497 -12.387 -0.465 1.00 31.42 N ATOM 0 H GLN A 20 -4.523 -7.266 1.200 1.00 32.24 H new ATOM 0 HA GLN A 20 -3.584 -9.057 -0.700 1.00 41.53 H new ATOM 0 HB2 GLN A 20 -5.284 -9.620 1.009 1.00 52.24 H new ATOM 0 HB3 GLN A 20 -6.433 -8.508 0.290 1.00 52.24 H new ATOM 0 HG2 GLN A 20 -6.541 -9.948 -1.759 1.00 53.05 H new ATOM 0 HG3 GLN A 20 -5.396 -11.060 -1.036 1.00 53.05 H new ATOM 0 HE21 GLN A 20 -6.852 -12.823 -1.124 1.00 31.42 H new ATOM 0 HE22 GLN A 20 -8.253 -12.934 -0.054 1.00 31.42 H new ATOM 340 N ASN A 21 -5.758 -6.894 -2.035 1.00 10.53 N ATOM 341 CA ASN A 21 -6.221 -6.282 -3.298 1.00 51.10 C ATOM 342 C ASN A 21 -5.040 -5.694 -4.104 1.00 60.31 C ATOM 343 O ASN A 21 -4.882 -6.019 -5.278 1.00 73.54 O ATOM 344 CB ASN A 21 -7.300 -5.192 -3.062 1.00 53.00 C ATOM 345 CG ASN A 21 -8.654 -5.773 -2.646 1.00 2.34 C ATOM 346 OD1 ASN A 21 -9.445 -6.196 -3.476 1.00 1.42 O ATOM 347 ND2 ASN A 21 -8.962 -5.759 -1.369 1.00 52.20 N ATOM 0 H ASN A 21 -6.159 -6.469 -1.199 1.00 10.53 H new ATOM 0 HA ASN A 21 -6.678 -7.083 -3.879 1.00 51.10 H new ATOM 0 HB2 ASN A 21 -6.953 -4.505 -2.290 1.00 53.00 H new ATOM 0 HB3 ASN A 21 -7.426 -4.609 -3.974 1.00 53.00 H new ATOM 0 HD21 ASN A 21 -9.871 -6.104 -1.060 1.00 52.20 H new ATOM 0 HD22 ASN A 21 -8.292 -5.403 -0.687 1.00 52.20 H new ATOM 354 N VAL A 22 -4.194 -4.873 -3.441 1.00 11.23 N ATOM 355 CA VAL A 22 -3.008 -4.244 -4.078 1.00 62.23 C ATOM 356 C VAL A 22 -2.058 -5.296 -4.715 1.00 61.21 C ATOM 357 O VAL A 22 -1.586 -5.089 -5.824 1.00 55.05 O ATOM 358 CB VAL A 22 -2.214 -3.334 -3.058 1.00 2.44 C ATOM 359 CG1 VAL A 22 -0.856 -2.856 -3.626 1.00 62.45 C ATOM 360 CG2 VAL A 22 -3.060 -2.117 -2.643 1.00 35.42 C ATOM 0 H VAL A 22 -4.310 -4.628 -2.458 1.00 11.23 H new ATOM 0 HA VAL A 22 -3.389 -3.611 -4.879 1.00 62.23 H new ATOM 0 HB VAL A 22 -2.008 -3.951 -2.183 1.00 2.44 H new ATOM 0 HG11 VAL A 22 -0.351 -2.235 -2.887 1.00 62.45 H new ATOM 0 HG12 VAL A 22 -0.235 -3.721 -3.859 1.00 62.45 H new ATOM 0 HG13 VAL A 22 -1.025 -2.276 -4.533 1.00 62.45 H new ATOM 0 HG21 VAL A 22 -2.495 -1.504 -1.941 1.00 35.42 H new ATOM 0 HG22 VAL A 22 -3.305 -1.526 -3.526 1.00 35.42 H new ATOM 0 HG23 VAL A 22 -3.980 -2.458 -2.168 1.00 35.42 H new ATOM 370 N ASN A 23 -1.816 -6.426 -4.011 1.00 23.32 N ATOM 371 CA ASN A 23 -0.982 -7.549 -4.529 1.00 22.11 C ATOM 372 C ASN A 23 -1.545 -8.106 -5.857 1.00 53.10 C ATOM 373 O ASN A 23 -0.792 -8.345 -6.806 1.00 5.04 O ATOM 374 CB ASN A 23 -0.864 -8.690 -3.478 1.00 1.55 C ATOM 375 CG ASN A 23 -0.084 -8.281 -2.231 1.00 35.33 C ATOM 376 OD1 ASN A 23 -0.122 -7.140 -1.817 1.00 62.32 O ATOM 377 ND2 ASN A 23 0.641 -9.203 -1.626 1.00 14.12 N ATOM 0 H ASN A 23 -2.187 -6.590 -3.075 1.00 23.32 H new ATOM 0 HA ASN A 23 0.013 -7.149 -4.722 1.00 22.11 H new ATOM 0 HB2 ASN A 23 -1.864 -9.010 -3.185 1.00 1.55 H new ATOM 0 HB3 ASN A 23 -0.377 -9.550 -3.938 1.00 1.55 H new ATOM 0 HD21 ASN A 23 1.182 -8.963 -0.796 1.00 14.12 H new ATOM 0 HD22 ASN A 23 0.660 -10.156 -1.989 1.00 14.12 H new ATOM 384 N ASP A 24 -2.876 -8.287 -5.911 1.00 54.12 N ATOM 385 CA ASP A 24 -3.582 -8.732 -7.135 1.00 13.12 C ATOM 386 C ASP A 24 -3.510 -7.682 -8.276 1.00 60.05 C ATOM 387 O ASP A 24 -3.245 -8.036 -9.427 1.00 53.21 O ATOM 388 CB ASP A 24 -5.049 -9.116 -6.799 1.00 13.44 C ATOM 389 CG ASP A 24 -5.180 -10.585 -6.361 1.00 62.33 C ATOM 390 OD1 ASP A 24 -5.007 -11.478 -7.228 1.00 53.12 O ATOM 391 OD2 ASP A 24 -5.436 -10.861 -5.171 1.00 53.42 O ATOM 0 H ASP A 24 -3.494 -8.131 -5.114 1.00 54.12 H new ATOM 0 HA ASP A 24 -3.070 -9.619 -7.509 1.00 13.12 H new ATOM 0 HB2 ASP A 24 -5.420 -8.468 -6.005 1.00 13.44 H new ATOM 0 HB3 ASP A 24 -5.677 -8.942 -7.672 1.00 13.44 H new ATOM 396 N ASP A 25 -3.718 -6.396 -7.944 1.00 72.33 N ATOM 397 CA ASP A 25 -3.598 -5.282 -8.917 1.00 34.42 C ATOM 398 C ASP A 25 -2.150 -5.160 -9.467 1.00 12.13 C ATOM 399 O ASP A 25 -1.961 -4.843 -10.638 1.00 45.41 O ATOM 400 CB ASP A 25 -4.052 -3.945 -8.275 1.00 72.43 C ATOM 401 CG ASP A 25 -5.572 -3.866 -8.058 1.00 31.24 C ATOM 402 OD1 ASP A 25 -6.311 -3.667 -9.051 1.00 63.04 O ATOM 403 OD2 ASP A 25 -6.042 -4.004 -6.908 1.00 70.13 O ATOM 0 H ASP A 25 -3.972 -6.095 -7.003 1.00 72.33 H new ATOM 0 HA ASP A 25 -4.254 -5.505 -9.758 1.00 34.42 H new ATOM 0 HB2 ASP A 25 -3.547 -3.819 -7.317 1.00 72.43 H new ATOM 0 HB3 ASP A 25 -3.738 -3.118 -8.912 1.00 72.43 H new ATOM 408 N ILE A 26 -1.145 -5.451 -8.607 1.00 32.34 N ATOM 409 CA ILE A 26 0.291 -5.491 -9.001 1.00 22.13 C ATOM 410 C ILE A 26 0.546 -6.629 -10.022 1.00 70.13 C ATOM 411 O ILE A 26 1.332 -6.460 -10.949 1.00 22.14 O ATOM 412 CB ILE A 26 1.248 -5.647 -7.744 1.00 73.33 C ATOM 413 CG1 ILE A 26 1.263 -4.340 -6.887 1.00 63.14 C ATOM 414 CG2 ILE A 26 2.692 -6.045 -8.143 1.00 30.25 C ATOM 415 CD1 ILE A 26 2.093 -4.407 -5.613 1.00 40.41 C ATOM 0 H ILE A 26 -1.302 -5.665 -7.622 1.00 32.34 H new ATOM 0 HA ILE A 26 0.524 -4.536 -9.472 1.00 22.13 H new ATOM 0 HB ILE A 26 0.842 -6.460 -7.143 1.00 73.33 H new ATOM 0 HG12 ILE A 26 1.640 -3.525 -7.504 1.00 63.14 H new ATOM 0 HG13 ILE A 26 0.237 -4.089 -6.620 1.00 63.14 H new ATOM 0 HG21 ILE A 26 3.305 -6.138 -7.246 1.00 30.25 H new ATOM 0 HG22 ILE A 26 2.674 -6.998 -8.671 1.00 30.25 H new ATOM 0 HG23 ILE A 26 3.114 -5.278 -8.793 1.00 30.25 H new ATOM 0 HD11 ILE A 26 2.037 -3.451 -5.092 1.00 40.41 H new ATOM 0 HD12 ILE A 26 1.706 -5.195 -4.967 1.00 40.41 H new ATOM 0 HD13 ILE A 26 3.131 -4.622 -5.866 1.00 40.41 H new ATOM 427 N LYS A 27 -0.142 -7.772 -9.847 1.00 53.21 N ATOM 428 CA LYS A 27 -0.097 -8.902 -10.815 1.00 2.32 C ATOM 429 C LYS A 27 -0.600 -8.458 -12.211 1.00 0.22 C ATOM 430 O LYS A 27 0.004 -8.787 -13.241 1.00 0.31 O ATOM 431 CB LYS A 27 -0.944 -10.088 -10.280 1.00 22.32 C ATOM 432 CG LYS A 27 -0.403 -10.716 -8.974 1.00 24.32 C ATOM 433 CD LYS A 27 -1.428 -11.634 -8.266 1.00 70.44 C ATOM 434 CE LYS A 27 -1.959 -12.763 -9.161 1.00 3.22 C ATOM 435 NZ LYS A 27 -2.961 -13.590 -8.451 1.00 32.13 N ATOM 0 H LYS A 27 -0.742 -7.945 -9.041 1.00 53.21 H new ATOM 0 HA LYS A 27 0.938 -9.226 -10.923 1.00 2.32 H new ATOM 0 HB2 LYS A 27 -1.964 -9.743 -10.109 1.00 22.32 H new ATOM 0 HB3 LYS A 27 -0.993 -10.860 -11.048 1.00 22.32 H new ATOM 0 HG2 LYS A 27 0.494 -11.292 -9.200 1.00 24.32 H new ATOM 0 HG3 LYS A 27 -0.107 -9.919 -8.291 1.00 24.32 H new ATOM 0 HD2 LYS A 27 -0.963 -12.070 -7.382 1.00 70.44 H new ATOM 0 HD3 LYS A 27 -2.267 -11.030 -7.920 1.00 70.44 H new ATOM 0 HE2 LYS A 27 -2.407 -12.337 -10.059 1.00 3.22 H new ATOM 0 HE3 LYS A 27 -1.130 -13.392 -9.486 1.00 3.22 H new ATOM 0 HZ1 LYS A 27 -3.410 -14.244 -9.123 1.00 32.13 H new ATOM 0 HZ2 LYS A 27 -2.492 -14.134 -7.699 1.00 32.13 H new ATOM 0 HZ3 LYS A 27 -3.686 -12.973 -8.031 1.00 32.13 H new ATOM 449 N GLU A 28 -1.704 -7.694 -12.220 1.00 55.23 N ATOM 450 CA GLU A 28 -2.256 -7.078 -13.447 1.00 23.20 C ATOM 451 C GLU A 28 -1.306 -5.995 -14.034 1.00 14.35 C ATOM 452 O GLU A 28 -1.296 -5.769 -15.251 1.00 71.10 O ATOM 453 CB GLU A 28 -3.681 -6.504 -13.169 1.00 32.11 C ATOM 454 CG GLU A 28 -4.843 -7.530 -13.264 1.00 23.10 C ATOM 455 CD GLU A 28 -4.766 -8.721 -12.276 1.00 12.34 C ATOM 456 OE1 GLU A 28 -4.087 -9.735 -12.580 1.00 2.20 O ATOM 457 OE2 GLU A 28 -5.410 -8.665 -11.206 1.00 52.54 O ATOM 0 H GLU A 28 -2.242 -7.483 -11.379 1.00 55.23 H new ATOM 0 HA GLU A 28 -2.341 -7.857 -14.205 1.00 23.20 H new ATOM 0 HB2 GLU A 28 -3.689 -6.064 -12.172 1.00 32.11 H new ATOM 0 HB3 GLU A 28 -3.873 -5.697 -13.876 1.00 32.11 H new ATOM 0 HG2 GLU A 28 -5.783 -7.004 -13.098 1.00 23.10 H new ATOM 0 HG3 GLU A 28 -4.873 -7.925 -14.280 1.00 23.10 H new ATOM 464 N VAL A 29 -0.510 -5.339 -13.166 1.00 43.25 N ATOM 465 CA VAL A 29 0.540 -4.393 -13.604 1.00 55.51 C ATOM 466 C VAL A 29 1.717 -5.136 -14.296 1.00 14.50 C ATOM 467 O VAL A 29 2.205 -4.693 -15.325 1.00 61.11 O ATOM 468 CB VAL A 29 1.118 -3.536 -12.420 1.00 21.22 C ATOM 469 CG1 VAL A 29 2.272 -2.654 -12.910 1.00 43.24 C ATOM 470 CG2 VAL A 29 0.039 -2.658 -11.745 1.00 63.51 C ATOM 0 H VAL A 29 -0.574 -5.447 -12.154 1.00 43.25 H new ATOM 0 HA VAL A 29 0.053 -3.722 -14.312 1.00 55.51 H new ATOM 0 HB VAL A 29 1.486 -4.239 -11.672 1.00 21.22 H new ATOM 0 HG11 VAL A 29 2.660 -2.067 -12.077 1.00 43.24 H new ATOM 0 HG12 VAL A 29 3.066 -3.284 -13.312 1.00 43.24 H new ATOM 0 HG13 VAL A 29 1.911 -1.983 -13.690 1.00 43.24 H new ATOM 0 HG21 VAL A 29 0.490 -2.086 -10.934 1.00 63.51 H new ATOM 0 HG22 VAL A 29 -0.385 -1.973 -12.480 1.00 63.51 H new ATOM 0 HG23 VAL A 29 -0.750 -3.295 -11.345 1.00 63.51 H new ATOM 480 N GLU A 30 2.168 -6.264 -13.721 1.00 14.25 N ATOM 481 CA GLU A 30 3.317 -7.049 -14.267 1.00 31.42 C ATOM 482 C GLU A 30 3.080 -7.456 -15.736 1.00 3.43 C ATOM 483 O GLU A 30 4.025 -7.584 -16.526 1.00 64.22 O ATOM 484 CB GLU A 30 3.561 -8.305 -13.404 1.00 41.21 C ATOM 485 CG GLU A 30 3.951 -7.986 -11.941 1.00 24.25 C ATOM 486 CD GLU A 30 4.137 -9.232 -11.065 1.00 60.25 C ATOM 487 OE1 GLU A 30 5.208 -9.867 -11.142 1.00 12.53 O ATOM 488 OE2 GLU A 30 3.225 -9.574 -10.283 1.00 45.33 O ATOM 0 H GLU A 30 1.761 -6.663 -12.875 1.00 14.25 H new ATOM 0 HA GLU A 30 4.200 -6.411 -14.235 1.00 31.42 H new ATOM 0 HB2 GLU A 30 2.659 -8.917 -13.405 1.00 41.21 H new ATOM 0 HB3 GLU A 30 4.352 -8.901 -13.860 1.00 41.21 H new ATOM 0 HG2 GLU A 30 4.876 -7.410 -11.939 1.00 24.25 H new ATOM 0 HG3 GLU A 30 3.181 -7.354 -11.499 1.00 24.25 H new ATOM 495 N LYS A 31 1.799 -7.642 -16.081 1.00 3.24 N ATOM 496 CA LYS A 31 1.374 -7.921 -17.449 1.00 52.13 C ATOM 497 C LYS A 31 1.281 -6.608 -18.287 1.00 4.23 C ATOM 498 O LYS A 31 1.851 -6.511 -19.380 1.00 3.21 O ATOM 499 CB LYS A 31 0.006 -8.639 -17.427 1.00 62.25 C ATOM 500 CG LYS A 31 -0.363 -9.277 -18.774 1.00 51.42 C ATOM 501 CD LYS A 31 -1.812 -9.794 -18.830 1.00 42.24 C ATOM 502 CE LYS A 31 -2.171 -10.373 -20.211 1.00 11.45 C ATOM 503 NZ LYS A 31 -3.590 -10.783 -20.294 1.00 62.02 N ATOM 0 H LYS A 31 1.029 -7.602 -15.413 1.00 3.24 H new ATOM 0 HA LYS A 31 2.116 -8.566 -17.920 1.00 52.13 H new ATOM 0 HB2 LYS A 31 0.021 -9.411 -16.658 1.00 62.25 H new ATOM 0 HB3 LYS A 31 -0.768 -7.924 -17.146 1.00 62.25 H new ATOM 0 HG2 LYS A 31 -0.216 -8.544 -19.567 1.00 51.42 H new ATOM 0 HG3 LYS A 31 0.318 -10.104 -18.974 1.00 51.42 H new ATOM 0 HD2 LYS A 31 -1.952 -10.562 -18.069 1.00 42.24 H new ATOM 0 HD3 LYS A 31 -2.496 -8.980 -18.591 1.00 42.24 H new ATOM 0 HE2 LYS A 31 -1.964 -9.629 -20.980 1.00 11.45 H new ATOM 0 HE3 LYS A 31 -1.534 -11.232 -20.420 1.00 11.45 H new ATOM 0 HZ1 LYS A 31 -3.786 -11.166 -21.241 1.00 62.02 H new ATOM 0 HZ2 LYS A 31 -3.783 -11.512 -19.578 1.00 62.02 H new ATOM 0 HZ3 LYS A 31 -4.200 -9.959 -20.121 1.00 62.02 H new ATOM 517 N ASN A 32 0.538 -5.603 -17.762 1.00 34.44 N ATOM 518 CA ASN A 32 0.328 -4.274 -18.421 1.00 44.12 C ATOM 519 C ASN A 32 0.796 -3.119 -17.477 1.00 61.41 C ATOM 520 O ASN A 32 -0.020 -2.545 -16.735 1.00 53.45 O ATOM 521 CB ASN A 32 -1.174 -4.091 -18.835 1.00 33.54 C ATOM 522 CG ASN A 32 -1.583 -4.747 -20.170 1.00 13.41 C ATOM 523 OD1 ASN A 32 -2.445 -4.236 -20.878 1.00 2.22 O ATOM 524 ND2 ASN A 32 -0.996 -5.872 -20.537 1.00 51.22 N ATOM 0 H ASN A 32 0.061 -5.684 -16.864 1.00 34.44 H new ATOM 0 HA ASN A 32 0.931 -4.237 -19.328 1.00 44.12 H new ATOM 0 HB2 ASN A 32 -1.803 -4.499 -18.043 1.00 33.54 H new ATOM 0 HB3 ASN A 32 -1.388 -3.024 -18.895 1.00 33.54 H new ATOM 0 HD21 ASN A 32 -1.259 -6.322 -21.414 1.00 51.22 H new ATOM 0 HD22 ASN A 32 -0.280 -6.291 -19.943 1.00 51.22 H new ATOM 531 N PRO A 33 2.142 -2.784 -17.470 1.00 24.13 N ATOM 532 CA PRO A 33 2.749 -1.823 -16.491 1.00 54.22 C ATOM 533 C PRO A 33 2.301 -0.356 -16.664 1.00 33.14 C ATOM 534 O PRO A 33 2.183 0.390 -15.684 1.00 25.41 O ATOM 535 CB PRO A 33 4.288 -1.975 -16.732 1.00 13.44 C ATOM 536 CG PRO A 33 4.430 -3.253 -17.507 1.00 53.54 C ATOM 537 CD PRO A 33 3.191 -3.339 -18.370 1.00 43.52 C ATOM 0 HA PRO A 33 2.430 -2.058 -15.476 1.00 54.22 H new ATOM 0 HB2 PRO A 33 4.687 -1.128 -17.290 1.00 13.44 H new ATOM 0 HB3 PRO A 33 4.833 -2.021 -15.789 1.00 13.44 H new ATOM 0 HG2 PRO A 33 5.334 -3.244 -18.117 1.00 53.54 H new ATOM 0 HG3 PRO A 33 4.504 -4.111 -16.839 1.00 53.54 H new ATOM 0 HD2 PRO A 33 3.291 -2.757 -19.286 1.00 43.52 H new ATOM 0 HD3 PRO A 33 2.972 -4.365 -18.667 1.00 43.52 H new ATOM 545 N GLU A 34 2.048 0.028 -17.919 1.00 54.55 N ATOM 546 CA GLU A 34 1.784 1.432 -18.311 1.00 74.35 C ATOM 547 C GLU A 34 0.279 1.785 -18.239 1.00 1.24 C ATOM 548 O GLU A 34 -0.111 2.935 -18.499 1.00 13.11 O ATOM 549 CB GLU A 34 2.344 1.667 -19.740 1.00 74.13 C ATOM 550 CG GLU A 34 3.776 1.128 -19.943 1.00 2.33 C ATOM 551 CD GLU A 34 4.314 1.324 -21.372 1.00 43.32 C ATOM 552 OE1 GLU A 34 3.953 0.530 -22.267 1.00 64.22 O ATOM 553 OE2 GLU A 34 5.107 2.263 -21.606 1.00 43.24 O ATOM 0 H GLU A 34 2.019 -0.624 -18.703 1.00 54.55 H new ATOM 0 HA GLU A 34 2.287 2.092 -17.604 1.00 74.35 H new ATOM 0 HB2 GLU A 34 1.681 1.192 -20.463 1.00 74.13 H new ATOM 0 HB3 GLU A 34 2.334 2.736 -19.953 1.00 74.13 H new ATOM 0 HG2 GLU A 34 4.445 1.626 -19.241 1.00 2.33 H new ATOM 0 HG3 GLU A 34 3.793 0.065 -19.701 1.00 2.33 H new ATOM 560 N ASP A 35 -0.560 0.787 -17.899 1.00 55.42 N ATOM 561 CA ASP A 35 -1.981 1.008 -17.603 1.00 24.14 C ATOM 562 C ASP A 35 -2.146 1.646 -16.204 1.00 64.42 C ATOM 563 O ASP A 35 -2.111 0.965 -15.167 1.00 55.34 O ATOM 564 CB ASP A 35 -2.781 -0.309 -17.731 1.00 10.11 C ATOM 565 CG ASP A 35 -3.060 -0.686 -19.192 1.00 1.13 C ATOM 566 OD1 ASP A 35 -2.114 -1.058 -19.913 1.00 60.23 O ATOM 567 OD2 ASP A 35 -4.225 -0.586 -19.632 1.00 4.23 O ATOM 0 H ASP A 35 -0.270 -0.188 -17.823 1.00 55.42 H new ATOM 0 HA ASP A 35 -2.387 1.705 -18.336 1.00 24.14 H new ATOM 0 HB2 ASP A 35 -2.227 -1.115 -17.250 1.00 10.11 H new ATOM 0 HB3 ASP A 35 -3.726 -0.210 -17.198 1.00 10.11 H new ATOM 572 N MET A 36 -2.310 2.974 -16.216 1.00 75.23 N ATOM 573 CA MET A 36 -2.463 3.803 -15.013 1.00 25.10 C ATOM 574 C MET A 36 -3.763 3.513 -14.246 1.00 51.55 C ATOM 575 O MET A 36 -3.900 3.925 -13.102 1.00 21.33 O ATOM 576 CB MET A 36 -2.372 5.292 -15.411 1.00 40.25 C ATOM 577 CG MET A 36 -0.982 5.742 -15.897 1.00 72.12 C ATOM 578 SD MET A 36 0.280 5.591 -14.615 1.00 70.33 S ATOM 579 CE MET A 36 0.993 3.977 -14.912 1.00 74.15 C ATOM 0 H MET A 36 -2.341 3.515 -17.080 1.00 75.23 H new ATOM 0 HA MET A 36 -1.653 3.552 -14.328 1.00 25.10 H new ATOM 0 HB2 MET A 36 -3.099 5.489 -16.199 1.00 40.25 H new ATOM 0 HB3 MET A 36 -2.658 5.902 -14.554 1.00 40.25 H new ATOM 0 HG2 MET A 36 -0.691 5.144 -16.761 1.00 72.12 H new ATOM 0 HG3 MET A 36 -1.035 6.779 -16.230 1.00 72.12 H new ATOM 0 HE1 MET A 36 1.728 3.756 -14.138 1.00 74.15 H new ATOM 0 HE2 MET A 36 0.207 3.223 -14.892 1.00 74.15 H new ATOM 0 HE3 MET A 36 1.480 3.968 -15.887 1.00 74.15 H new ATOM 589 N GLU A 37 -4.713 2.841 -14.908 1.00 63.41 N ATOM 590 CA GLU A 37 -5.934 2.296 -14.268 1.00 21.45 C ATOM 591 C GLU A 37 -5.592 1.346 -13.079 1.00 42.10 C ATOM 592 O GLU A 37 -6.184 1.450 -11.996 1.00 13.50 O ATOM 593 CB GLU A 37 -6.788 1.551 -15.330 1.00 4.04 C ATOM 594 CG GLU A 37 -8.125 0.978 -14.806 1.00 71.12 C ATOM 595 CD GLU A 37 -8.972 0.326 -15.910 1.00 44.04 C ATOM 596 OE1 GLU A 37 -9.772 1.036 -16.558 1.00 53.22 O ATOM 597 OE2 GLU A 37 -8.824 -0.892 -16.151 1.00 34.45 O ATOM 0 H GLU A 37 -4.663 2.655 -15.910 1.00 63.41 H new ATOM 0 HA GLU A 37 -6.504 3.130 -13.859 1.00 21.45 H new ATOM 0 HB2 GLU A 37 -7.000 2.237 -16.150 1.00 4.04 H new ATOM 0 HB3 GLU A 37 -6.196 0.734 -15.743 1.00 4.04 H new ATOM 0 HG2 GLU A 37 -7.919 0.240 -14.030 1.00 71.12 H new ATOM 0 HG3 GLU A 37 -8.699 1.779 -14.340 1.00 71.12 H new ATOM 604 N TYR A 38 -4.616 0.442 -13.303 1.00 2.34 N ATOM 605 CA TYR A 38 -4.142 -0.532 -12.283 1.00 60.32 C ATOM 606 C TYR A 38 -3.408 0.181 -11.123 1.00 60.04 C ATOM 607 O TYR A 38 -3.665 -0.093 -9.945 1.00 11.10 O ATOM 608 CB TYR A 38 -3.211 -1.587 -12.944 1.00 74.43 C ATOM 609 CG TYR A 38 -3.899 -2.464 -14.003 1.00 21.33 C ATOM 610 CD1 TYR A 38 -5.191 -2.961 -13.801 1.00 34.04 C ATOM 611 CD2 TYR A 38 -3.261 -2.794 -15.204 1.00 54.32 C ATOM 612 CE1 TYR A 38 -5.815 -3.744 -14.752 1.00 12.10 C ATOM 613 CE2 TYR A 38 -3.886 -3.579 -16.156 1.00 51.31 C ATOM 614 CZ TYR A 38 -5.161 -4.050 -15.926 1.00 14.34 C ATOM 615 OH TYR A 38 -5.785 -4.833 -16.876 1.00 20.31 O ATOM 0 H TYR A 38 -4.130 0.362 -14.196 1.00 2.34 H new ATOM 0 HA TYR A 38 -5.014 -1.037 -11.866 1.00 60.32 H new ATOM 0 HB2 TYR A 38 -2.369 -1.072 -13.407 1.00 74.43 H new ATOM 0 HB3 TYR A 38 -2.802 -2.231 -12.166 1.00 74.43 H new ATOM 0 HD1 TYR A 38 -5.711 -2.728 -12.883 1.00 34.04 H new ATOM 0 HD2 TYR A 38 -2.262 -2.429 -15.391 1.00 54.32 H new ATOM 0 HE1 TYR A 38 -6.814 -4.116 -14.576 1.00 12.10 H new ATOM 0 HE2 TYR A 38 -3.377 -3.822 -17.077 1.00 51.31 H new ATOM 0 HH TYR A 38 -5.188 -4.953 -17.644 1.00 20.31 H new ATOM 625 N TRP A 39 -2.501 1.107 -11.476 1.00 44.23 N ATOM 626 CA TRP A 39 -1.753 1.924 -10.493 1.00 31.23 C ATOM 627 C TRP A 39 -2.648 2.916 -9.723 1.00 24.34 C ATOM 628 O TRP A 39 -2.321 3.279 -8.598 1.00 34.54 O ATOM 629 CB TRP A 39 -0.558 2.649 -11.164 1.00 34.45 C ATOM 630 CG TRP A 39 0.612 1.727 -11.422 1.00 54.11 C ATOM 631 CD1 TRP A 39 1.129 1.353 -12.628 1.00 54.12 C ATOM 632 CD2 TRP A 39 1.386 1.033 -10.424 1.00 5.15 C ATOM 633 NE1 TRP A 39 2.188 0.510 -12.446 1.00 71.41 N ATOM 634 CE2 TRP A 39 2.359 0.289 -11.095 1.00 32.42 C ATOM 635 CE3 TRP A 39 1.355 0.984 -9.027 1.00 51.42 C ATOM 636 CZ2 TRP A 39 3.285 -0.509 -10.417 1.00 65.10 C ATOM 637 CZ3 TRP A 39 2.270 0.194 -8.358 1.00 73.02 C ATOM 638 CH2 TRP A 39 3.226 -0.542 -9.055 1.00 4.12 C ATOM 0 H TRP A 39 -2.263 1.313 -12.446 1.00 44.23 H new ATOM 0 HA TRP A 39 -1.362 1.229 -9.750 1.00 31.23 H new ATOM 0 HB2 TRP A 39 -0.886 3.086 -12.107 1.00 34.45 H new ATOM 0 HB3 TRP A 39 -0.233 3.472 -10.527 1.00 34.45 H new ATOM 0 HD1 TRP A 39 0.755 1.677 -13.588 1.00 54.12 H new ATOM 0 HE1 TRP A 39 2.760 0.109 -13.189 1.00 71.41 H new ATOM 0 HE3 TRP A 39 0.624 1.557 -8.477 1.00 51.42 H new ATOM 0 HZ2 TRP A 39 4.025 -1.082 -10.956 1.00 65.10 H new ATOM 0 HZ3 TRP A 39 2.244 0.146 -7.279 1.00 73.02 H new ATOM 0 HH2 TRP A 39 3.932 -1.149 -8.507 1.00 4.12 H new ATOM 649 N ASN A 40 -3.763 3.356 -10.334 1.00 44.40 N ATOM 650 CA ASN A 40 -4.745 4.230 -9.678 1.00 44.15 C ATOM 651 C ASN A 40 -5.437 3.482 -8.513 1.00 14.10 C ATOM 652 O ASN A 40 -5.641 4.050 -7.440 1.00 60.14 O ATOM 653 CB ASN A 40 -5.763 4.703 -10.739 1.00 63.35 C ATOM 654 CG ASN A 40 -6.892 5.540 -10.173 1.00 51.41 C ATOM 655 OD1 ASN A 40 -6.806 6.755 -10.069 1.00 50.02 O ATOM 656 ND2 ASN A 40 -7.963 4.890 -9.795 1.00 54.43 N ATOM 0 H ASN A 40 -4.006 3.115 -11.295 1.00 44.40 H new ATOM 0 HA ASN A 40 -4.251 5.101 -9.248 1.00 44.15 H new ATOM 0 HB2 ASN A 40 -5.239 5.283 -11.499 1.00 63.35 H new ATOM 0 HB3 ASN A 40 -6.185 3.831 -11.238 1.00 63.35 H new ATOM 0 HD21 ASN A 40 -8.755 5.398 -9.401 1.00 54.43 H new ATOM 0 HD22 ASN A 40 -8.006 3.876 -9.894 1.00 54.43 H new ATOM 663 N LYS A 41 -5.780 2.196 -8.748 1.00 24.31 N ATOM 664 CA LYS A 41 -6.346 1.303 -7.704 1.00 35.31 C ATOM 665 C LYS A 41 -5.381 1.187 -6.501 1.00 21.13 C ATOM 666 O LYS A 41 -5.746 1.499 -5.367 1.00 31.43 O ATOM 667 CB LYS A 41 -6.608 -0.108 -8.292 1.00 2.12 C ATOM 668 CG LYS A 41 -7.629 -0.155 -9.448 1.00 74.51 C ATOM 669 CD LYS A 41 -9.054 0.271 -9.019 1.00 32.32 C ATOM 670 CE LYS A 41 -10.086 0.102 -10.150 1.00 60.12 C ATOM 671 NZ LYS A 41 -11.442 0.528 -9.728 1.00 31.23 N ATOM 0 H LYS A 41 -5.675 1.748 -9.658 1.00 24.31 H new ATOM 0 HA LYS A 41 -7.287 1.735 -7.362 1.00 35.31 H new ATOM 0 HB2 LYS A 41 -5.662 -0.519 -8.646 1.00 2.12 H new ATOM 0 HB3 LYS A 41 -6.959 -0.759 -7.491 1.00 2.12 H new ATOM 0 HG2 LYS A 41 -7.288 0.497 -10.252 1.00 74.51 H new ATOM 0 HG3 LYS A 41 -7.665 -1.167 -9.852 1.00 74.51 H new ATOM 0 HD2 LYS A 41 -9.363 -0.322 -8.158 1.00 32.32 H new ATOM 0 HD3 LYS A 41 -9.037 1.313 -8.699 1.00 32.32 H new ATOM 0 HE2 LYS A 41 -9.775 0.686 -11.016 1.00 60.12 H new ATOM 0 HE3 LYS A 41 -10.114 -0.942 -10.463 1.00 60.12 H new ATOM 0 HZ1 LYS A 41 -12.108 0.399 -10.517 1.00 31.23 H new ATOM 0 HZ2 LYS A 41 -11.750 -0.046 -8.918 1.00 31.23 H new ATOM 0 HZ3 LYS A 41 -11.421 1.531 -9.453 1.00 31.23 H new ATOM 685 N ILE A 42 -4.136 0.789 -6.805 1.00 52.35 N ATOM 686 CA ILE A 42 -3.042 0.619 -5.817 1.00 74.00 C ATOM 687 C ILE A 42 -2.792 1.907 -4.996 1.00 64.42 C ATOM 688 O ILE A 42 -2.762 1.867 -3.770 1.00 71.01 O ATOM 689 CB ILE A 42 -1.729 0.175 -6.570 1.00 73.14 C ATOM 690 CG1 ILE A 42 -1.952 -1.233 -7.216 1.00 41.31 C ATOM 691 CG2 ILE A 42 -0.472 0.195 -5.653 1.00 23.10 C ATOM 692 CD1 ILE A 42 -0.866 -1.695 -8.169 1.00 5.20 C ATOM 0 H ILE A 42 -3.849 0.571 -7.759 1.00 52.35 H new ATOM 0 HA ILE A 42 -3.340 -0.152 -5.107 1.00 74.00 H new ATOM 0 HB ILE A 42 -1.528 0.903 -7.356 1.00 73.14 H new ATOM 0 HG12 ILE A 42 -2.047 -1.969 -6.417 1.00 41.31 H new ATOM 0 HG13 ILE A 42 -2.901 -1.221 -7.753 1.00 41.31 H new ATOM 0 HG21 ILE A 42 0.401 -0.120 -6.225 1.00 23.10 H new ATOM 0 HG22 ILE A 42 -0.313 1.205 -5.275 1.00 23.10 H new ATOM 0 HG23 ILE A 42 -0.622 -0.486 -4.816 1.00 23.10 H new ATOM 0 HD11 ILE A 42 -1.119 -2.681 -8.559 1.00 5.20 H new ATOM 0 HD12 ILE A 42 -0.782 -0.989 -8.995 1.00 5.20 H new ATOM 0 HD13 ILE A 42 0.085 -1.748 -7.639 1.00 5.20 H new ATOM 704 N TYR A 43 -2.661 3.038 -5.705 1.00 15.53 N ATOM 705 CA TYR A 43 -2.384 4.366 -5.107 1.00 33.42 C ATOM 706 C TYR A 43 -3.454 4.777 -4.060 1.00 2.42 C ATOM 707 O TYR A 43 -3.117 5.248 -2.969 1.00 40.23 O ATOM 708 CB TYR A 43 -2.296 5.428 -6.235 1.00 12.10 C ATOM 709 CG TYR A 43 -2.029 6.860 -5.744 1.00 52.42 C ATOM 710 CD1 TYR A 43 -0.772 7.228 -5.254 1.00 13.42 C ATOM 711 CD2 TYR A 43 -3.035 7.834 -5.757 1.00 45.35 C ATOM 712 CE1 TYR A 43 -0.537 8.507 -4.790 1.00 64.35 C ATOM 713 CE2 TYR A 43 -2.797 9.106 -5.291 1.00 33.15 C ATOM 714 CZ TYR A 43 -1.550 9.441 -4.818 1.00 42.43 C ATOM 715 OH TYR A 43 -1.323 10.717 -4.351 1.00 51.11 O ATOM 0 H TYR A 43 -2.744 3.064 -6.721 1.00 15.53 H new ATOM 0 HA TYR A 43 -1.433 4.304 -4.578 1.00 33.42 H new ATOM 0 HB2 TYR A 43 -1.503 5.141 -6.926 1.00 12.10 H new ATOM 0 HB3 TYR A 43 -3.229 5.419 -6.799 1.00 12.10 H new ATOM 0 HD1 TYR A 43 0.027 6.501 -5.238 1.00 13.42 H new ATOM 0 HD2 TYR A 43 -4.013 7.582 -6.139 1.00 45.35 H new ATOM 0 HE1 TYR A 43 0.437 8.774 -4.407 1.00 64.35 H new ATOM 0 HE2 TYR A 43 -3.589 9.841 -5.297 1.00 33.15 H new ATOM 0 HH TYR A 43 -2.141 11.249 -4.443 1.00 51.11 H new ATOM 725 N ARG A 44 -4.739 4.585 -4.412 1.00 15.40 N ATOM 726 CA ARG A 44 -5.880 4.963 -3.539 1.00 33.32 C ATOM 727 C ARG A 44 -5.996 4.047 -2.301 1.00 15.53 C ATOM 728 O ARG A 44 -6.336 4.513 -1.204 1.00 44.14 O ATOM 729 CB ARG A 44 -7.202 4.959 -4.348 1.00 31.21 C ATOM 730 CG ARG A 44 -7.217 5.975 -5.514 1.00 23.01 C ATOM 731 CD ARG A 44 -8.536 5.975 -6.306 1.00 25.00 C ATOM 732 NE ARG A 44 -8.463 6.890 -7.457 1.00 5.23 N ATOM 733 CZ ARG A 44 -9.478 7.444 -8.080 1.00 34.41 C ATOM 734 NH1 ARG A 44 -10.706 7.231 -7.712 1.00 60.00 N ATOM 735 NH2 ARG A 44 -9.241 8.208 -9.088 1.00 33.42 N ATOM 0 H ARG A 44 -5.020 4.168 -5.299 1.00 15.40 H new ATOM 0 HA ARG A 44 -5.690 5.972 -3.173 1.00 33.32 H new ATOM 0 HB2 ARG A 44 -7.371 3.959 -4.746 1.00 31.21 H new ATOM 0 HB3 ARG A 44 -8.031 5.179 -3.675 1.00 31.21 H new ATOM 0 HG2 ARG A 44 -7.040 6.975 -5.118 1.00 23.01 H new ATOM 0 HG3 ARG A 44 -6.394 5.751 -6.193 1.00 23.01 H new ATOM 0 HD2 ARG A 44 -8.755 4.965 -6.653 1.00 25.00 H new ATOM 0 HD3 ARG A 44 -9.356 6.272 -5.653 1.00 25.00 H new ATOM 0 HE ARG A 44 -7.531 7.116 -7.805 1.00 5.23 H new ATOM 0 HH11 ARG A 44 -10.902 6.619 -6.920 1.00 60.00 H new ATOM 0 HH12 ARG A 44 -11.474 7.675 -8.215 1.00 60.00 H new ATOM 0 HH21 ARG A 44 -8.280 8.373 -9.388 1.00 33.42 H new ATOM 0 HH22 ARG A 44 -10.014 8.649 -9.587 1.00 33.42 H new ATOM 749 N LEU A 45 -5.714 2.747 -2.483 1.00 0.31 N ATOM 750 CA LEU A 45 -5.729 1.763 -1.374 1.00 12.13 C ATOM 751 C LEU A 45 -4.571 2.033 -0.377 1.00 54.44 C ATOM 752 O LEU A 45 -4.775 2.003 0.834 1.00 42.23 O ATOM 753 CB LEU A 45 -5.668 0.319 -1.937 1.00 45.04 C ATOM 754 CG LEU A 45 -6.845 -0.089 -2.890 1.00 24.32 C ATOM 755 CD1 LEU A 45 -6.661 -1.520 -3.447 1.00 54.43 C ATOM 756 CD2 LEU A 45 -8.222 0.076 -2.203 1.00 54.31 C ATOM 0 H LEU A 45 -5.471 2.346 -3.389 1.00 0.31 H new ATOM 0 HA LEU A 45 -6.664 1.873 -0.824 1.00 12.13 H new ATOM 0 HB2 LEU A 45 -4.729 0.199 -2.477 1.00 45.04 H new ATOM 0 HB3 LEU A 45 -5.645 -0.378 -1.099 1.00 45.04 H new ATOM 0 HG LEU A 45 -6.820 0.596 -3.738 1.00 24.32 H new ATOM 0 HD11 LEU A 45 -7.496 -1.765 -4.103 1.00 54.43 H new ATOM 0 HD12 LEU A 45 -5.730 -1.574 -4.010 1.00 54.43 H new ATOM 0 HD13 LEU A 45 -6.627 -2.230 -2.621 1.00 54.43 H new ATOM 0 HD21 LEU A 45 -9.011 -0.217 -2.895 1.00 54.31 H new ATOM 0 HD22 LEU A 45 -8.264 -0.556 -1.316 1.00 54.31 H new ATOM 0 HD23 LEU A 45 -8.361 1.117 -1.913 1.00 54.31 H new ATOM 768 N VAL A 46 -3.374 2.346 -0.915 1.00 63.50 N ATOM 769 CA VAL A 46 -2.179 2.724 -0.111 1.00 44.45 C ATOM 770 C VAL A 46 -2.383 4.086 0.610 1.00 74.33 C ATOM 771 O VAL A 46 -1.885 4.291 1.725 1.00 71.21 O ATOM 772 CB VAL A 46 -0.877 2.755 -1.002 1.00 14.21 C ATOM 773 CG1 VAL A 46 0.336 3.345 -0.237 1.00 3.11 C ATOM 774 CG2 VAL A 46 -0.542 1.337 -1.541 1.00 25.32 C ATOM 0 H VAL A 46 -3.202 2.346 -1.920 1.00 63.50 H new ATOM 0 HA VAL A 46 -2.049 1.958 0.654 1.00 44.45 H new ATOM 0 HB VAL A 46 -1.082 3.411 -1.848 1.00 14.21 H new ATOM 0 HG11 VAL A 46 1.210 3.347 -0.888 1.00 3.11 H new ATOM 0 HG12 VAL A 46 0.110 4.366 0.071 1.00 3.11 H new ATOM 0 HG13 VAL A 46 0.541 2.737 0.644 1.00 3.11 H new ATOM 0 HG21 VAL A 46 0.359 1.384 -2.152 1.00 25.32 H new ATOM 0 HG22 VAL A 46 -0.378 0.659 -0.704 1.00 25.32 H new ATOM 0 HG23 VAL A 46 -1.372 0.972 -2.146 1.00 25.32 H new ATOM 784 N HIS A 47 -3.136 5.002 -0.033 1.00 1.22 N ATOM 785 CA HIS A 47 -3.549 6.290 0.579 1.00 20.15 C ATOM 786 C HIS A 47 -4.372 6.019 1.865 1.00 13.55 C ATOM 787 O HIS A 47 -4.161 6.663 2.900 1.00 32.34 O ATOM 788 CB HIS A 47 -4.373 7.130 -0.447 1.00 45.13 C ATOM 789 CG HIS A 47 -4.667 8.573 -0.062 1.00 61.24 C ATOM 790 ND1 HIS A 47 -4.862 9.562 -1.000 1.00 63.52 N ATOM 791 CD2 HIS A 47 -4.835 9.189 1.138 1.00 3.30 C ATOM 792 CE1 HIS A 47 -5.134 10.699 -0.400 1.00 54.53 C ATOM 793 NE2 HIS A 47 -5.127 10.502 0.895 1.00 72.13 N ATOM 0 H HIS A 47 -3.475 4.875 -0.986 1.00 1.22 H new ATOM 0 HA HIS A 47 -2.663 6.863 0.852 1.00 20.15 H new ATOM 0 HB2 HIS A 47 -3.836 7.133 -1.396 1.00 45.13 H new ATOM 0 HB3 HIS A 47 -5.322 6.623 -0.619 1.00 45.13 H new ATOM 0 HD2 HIS A 47 -4.753 8.724 2.109 1.00 3.30 H new ATOM 0 HE1 HIS A 47 -5.331 11.640 -0.893 1.00 54.53 H new ATOM 0 HE2 HIS A 47 -5.309 11.211 1.605 1.00 72.13 H new ATOM 802 N THR A 48 -5.295 5.043 1.776 1.00 64.31 N ATOM 803 CA THR A 48 -6.119 4.609 2.921 1.00 61.30 C ATOM 804 C THR A 48 -5.257 3.911 4.008 1.00 44.41 C ATOM 805 O THR A 48 -5.463 4.159 5.187 1.00 53.43 O ATOM 806 CB THR A 48 -7.287 3.670 2.464 1.00 72.12 C ATOM 807 OG1 THR A 48 -8.097 4.346 1.487 1.00 71.13 O ATOM 808 CG2 THR A 48 -8.181 3.217 3.641 1.00 41.30 C ATOM 0 H THR A 48 -5.490 4.535 0.913 1.00 64.31 H new ATOM 0 HA THR A 48 -6.556 5.507 3.358 1.00 61.30 H new ATOM 0 HB THR A 48 -6.832 2.778 2.035 1.00 72.12 H new ATOM 0 HG1 THR A 48 -7.600 4.423 0.646 1.00 71.13 H new ATOM 0 HG21 THR A 48 -8.974 2.569 3.267 1.00 41.30 H new ATOM 0 HG22 THR A 48 -7.578 2.671 4.367 1.00 41.30 H new ATOM 0 HG23 THR A 48 -8.623 4.091 4.120 1.00 41.30 H new ATOM 816 N MET A 49 -4.268 3.071 3.600 1.00 42.15 N ATOM 817 CA MET A 49 -3.314 2.401 4.551 1.00 13.22 C ATOM 818 C MET A 49 -2.525 3.439 5.377 1.00 0.40 C ATOM 819 O MET A 49 -2.329 3.282 6.591 1.00 51.11 O ATOM 820 CB MET A 49 -2.293 1.513 3.794 1.00 72.33 C ATOM 821 CG MET A 49 -2.900 0.438 2.916 1.00 30.24 C ATOM 822 SD MET A 49 -1.659 -0.465 1.977 1.00 34.13 S ATOM 823 CE MET A 49 -2.704 -1.345 0.831 1.00 45.01 C ATOM 0 H MET A 49 -4.104 2.836 2.621 1.00 42.15 H new ATOM 0 HA MET A 49 -3.921 1.784 5.214 1.00 13.22 H new ATOM 0 HB2 MET A 49 -1.666 2.155 3.175 1.00 72.33 H new ATOM 0 HB3 MET A 49 -1.638 1.037 4.524 1.00 72.33 H new ATOM 0 HG2 MET A 49 -3.461 -0.261 3.537 1.00 30.24 H new ATOM 0 HG3 MET A 49 -3.611 0.894 2.228 1.00 30.24 H new ATOM 0 HE1 MET A 49 -2.097 -2.023 0.232 1.00 45.01 H new ATOM 0 HE2 MET A 49 -3.449 -1.918 1.384 1.00 45.01 H new ATOM 0 HE3 MET A 49 -3.206 -0.633 0.176 1.00 45.01 H new ATOM 833 N LYS A 50 -2.072 4.493 4.675 1.00 24.25 N ATOM 834 CA LYS A 50 -1.367 5.631 5.281 1.00 32.03 C ATOM 835 C LYS A 50 -2.289 6.368 6.266 1.00 33.22 C ATOM 836 O LYS A 50 -1.900 6.653 7.386 1.00 50.14 O ATOM 837 CB LYS A 50 -0.871 6.596 4.176 1.00 15.25 C ATOM 838 CG LYS A 50 0.037 7.739 4.685 1.00 42.11 C ATOM 839 CD LYS A 50 0.575 8.638 3.547 1.00 1.11 C ATOM 840 CE LYS A 50 -0.540 9.399 2.803 1.00 31.45 C ATOM 841 NZ LYS A 50 -1.292 10.314 3.699 1.00 23.45 N ATOM 0 H LYS A 50 -2.187 4.577 3.665 1.00 24.25 H new ATOM 0 HA LYS A 50 -0.504 5.258 5.833 1.00 32.03 H new ATOM 0 HB2 LYS A 50 -0.326 6.022 3.427 1.00 15.25 H new ATOM 0 HB3 LYS A 50 -1.736 7.031 3.676 1.00 15.25 H new ATOM 0 HG2 LYS A 50 -0.522 8.353 5.391 1.00 42.11 H new ATOM 0 HG3 LYS A 50 0.878 7.311 5.231 1.00 42.11 H new ATOM 0 HD2 LYS A 50 1.283 9.356 3.962 1.00 1.11 H new ATOM 0 HD3 LYS A 50 1.125 8.023 2.835 1.00 1.11 H new ATOM 0 HE2 LYS A 50 -0.103 9.973 1.986 1.00 31.45 H new ATOM 0 HE3 LYS A 50 -1.230 8.683 2.356 1.00 31.45 H new ATOM 0 HZ1 LYS A 50 -2.020 10.816 3.151 1.00 23.45 H new ATOM 0 HZ2 LYS A 50 -1.746 9.763 4.455 1.00 23.45 H new ATOM 0 HZ3 LYS A 50 -0.637 11.004 4.119 1.00 23.45 H new ATOM 855 N GLU A 51 -3.528 6.623 5.831 1.00 4.02 N ATOM 856 CA GLU A 51 -4.565 7.273 6.649 1.00 51.14 C ATOM 857 C GLU A 51 -4.881 6.464 7.942 1.00 63.25 C ATOM 858 O GLU A 51 -5.131 7.052 8.995 1.00 45.32 O ATOM 859 CB GLU A 51 -5.847 7.440 5.801 1.00 43.50 C ATOM 860 CG GLU A 51 -7.000 8.160 6.520 1.00 11.12 C ATOM 861 CD GLU A 51 -8.329 8.088 5.753 1.00 61.50 C ATOM 862 OE1 GLU A 51 -9.009 7.044 5.837 1.00 73.35 O ATOM 863 OE2 GLU A 51 -8.689 9.056 5.051 1.00 32.41 O ATOM 0 H GLU A 51 -3.845 6.382 4.892 1.00 4.02 H new ATOM 0 HA GLU A 51 -4.191 8.248 6.962 1.00 51.14 H new ATOM 0 HB2 GLU A 51 -5.599 7.994 4.896 1.00 43.50 H new ATOM 0 HB3 GLU A 51 -6.191 6.454 5.488 1.00 43.50 H new ATOM 0 HG2 GLU A 51 -7.134 7.721 7.509 1.00 11.12 H new ATOM 0 HG3 GLU A 51 -6.730 9.205 6.670 1.00 11.12 H new ATOM 870 N ILE A 52 -4.864 5.114 7.828 1.00 23.33 N ATOM 871 CA ILE A 52 -5.080 4.180 8.965 1.00 41.10 C ATOM 872 C ILE A 52 -4.020 4.403 10.073 1.00 43.23 C ATOM 873 O ILE A 52 -4.357 4.652 11.237 1.00 64.11 O ATOM 874 CB ILE A 52 -5.058 2.667 8.474 1.00 22.25 C ATOM 875 CG1 ILE A 52 -6.310 2.345 7.588 1.00 72.31 C ATOM 876 CG2 ILE A 52 -4.943 1.656 9.653 1.00 11.01 C ATOM 877 CD1 ILE A 52 -6.311 0.960 6.948 1.00 3.21 C ATOM 0 H ILE A 52 -4.699 4.638 6.941 1.00 23.33 H new ATOM 0 HA ILE A 52 -6.065 4.389 9.383 1.00 41.10 H new ATOM 0 HB ILE A 52 -4.161 2.550 7.866 1.00 22.25 H new ATOM 0 HG12 ILE A 52 -7.205 2.445 8.201 1.00 72.31 H new ATOM 0 HG13 ILE A 52 -6.379 3.093 6.798 1.00 72.31 H new ATOM 0 HG21 ILE A 52 -4.932 0.639 9.261 1.00 11.01 H new ATOM 0 HG22 ILE A 52 -4.021 1.842 10.203 1.00 11.01 H new ATOM 0 HG23 ILE A 52 -5.795 1.778 10.321 1.00 11.01 H new ATOM 0 HD11 ILE A 52 -7.217 0.833 6.356 1.00 3.21 H new ATOM 0 HD12 ILE A 52 -5.439 0.857 6.303 1.00 3.21 H new ATOM 0 HD13 ILE A 52 -6.278 0.199 7.728 1.00 3.21 H new ATOM 889 N THR A 53 -2.739 4.323 9.695 1.00 22.42 N ATOM 890 CA THR A 53 -1.617 4.534 10.636 1.00 74.40 C ATOM 891 C THR A 53 -1.490 6.017 11.106 1.00 25.13 C ATOM 892 O THR A 53 -1.026 6.271 12.219 1.00 55.12 O ATOM 893 CB THR A 53 -0.264 3.997 10.056 1.00 52.24 C ATOM 894 OG1 THR A 53 0.808 4.326 10.919 1.00 72.34 O ATOM 895 CG2 THR A 53 0.051 4.535 8.664 1.00 25.22 C ATOM 0 H THR A 53 -2.446 4.113 8.741 1.00 22.42 H new ATOM 0 HA THR A 53 -1.852 3.948 11.525 1.00 74.40 H new ATOM 0 HB THR A 53 -0.381 2.916 9.978 1.00 52.24 H new ATOM 0 HG1 THR A 53 1.090 5.250 10.753 1.00 72.34 H new ATOM 0 HG21 THR A 53 1.001 4.124 8.321 1.00 25.22 H new ATOM 0 HG22 THR A 53 -0.741 4.244 7.974 1.00 25.22 H new ATOM 0 HG23 THR A 53 0.118 5.622 8.701 1.00 25.22 H new ATOM 903 N GLU A 54 -1.922 6.989 10.269 1.00 51.45 N ATOM 904 CA GLU A 54 -1.920 8.438 10.642 1.00 73.25 C ATOM 905 C GLU A 54 -2.981 8.755 11.726 1.00 55.31 C ATOM 906 O GLU A 54 -2.705 9.505 12.667 1.00 31.10 O ATOM 907 CB GLU A 54 -2.149 9.348 9.400 1.00 14.32 C ATOM 908 CG GLU A 54 -0.966 9.398 8.412 1.00 72.42 C ATOM 909 CD GLU A 54 -1.254 10.254 7.166 1.00 73.34 C ATOM 910 OE1 GLU A 54 -2.186 9.913 6.402 1.00 1.31 O ATOM 911 OE2 GLU A 54 -0.558 11.269 6.941 1.00 1.33 O ATOM 0 H GLU A 54 -2.277 6.805 9.331 1.00 51.45 H new ATOM 0 HA GLU A 54 -0.933 8.650 11.054 1.00 73.25 H new ATOM 0 HB2 GLU A 54 -3.034 8.999 8.869 1.00 14.32 H new ATOM 0 HB3 GLU A 54 -2.362 10.361 9.743 1.00 14.32 H new ATOM 0 HG2 GLU A 54 -0.090 9.796 8.924 1.00 72.42 H new ATOM 0 HG3 GLU A 54 -0.719 8.384 8.099 1.00 72.42 H new ATOM 918 N THR A 55 -4.198 8.180 11.584 1.00 70.42 N ATOM 919 CA THR A 55 -5.287 8.353 12.585 1.00 72.44 C ATOM 920 C THR A 55 -4.977 7.570 13.889 1.00 51.12 C ATOM 921 O THR A 55 -5.524 7.886 14.951 1.00 21.02 O ATOM 922 CB THR A 55 -6.704 7.963 12.020 1.00 61.31 C ATOM 923 OG1 THR A 55 -7.738 8.327 12.959 1.00 72.24 O ATOM 924 CG2 THR A 55 -6.835 6.469 11.692 1.00 41.30 C ATOM 0 H THR A 55 -4.454 7.593 10.790 1.00 70.42 H new ATOM 0 HA THR A 55 -5.325 9.417 12.819 1.00 72.44 H new ATOM 0 HB THR A 55 -6.819 8.517 11.088 1.00 61.31 H new ATOM 0 HG1 THR A 55 -8.613 8.080 12.594 1.00 72.24 H new ATOM 0 HG21 THR A 55 -7.835 6.267 11.307 1.00 41.30 H new ATOM 0 HG22 THR A 55 -6.095 6.195 10.940 1.00 41.30 H new ATOM 0 HG23 THR A 55 -6.669 5.882 12.595 1.00 41.30 H new ATOM 932 N MET A 56 -4.095 6.548 13.789 1.00 32.34 N ATOM 933 CA MET A 56 -3.488 5.877 14.966 1.00 33.15 C ATOM 934 C MET A 56 -2.387 6.770 15.608 1.00 11.23 C ATOM 935 O MET A 56 -2.189 6.745 16.828 1.00 60.14 O ATOM 936 CB MET A 56 -2.891 4.498 14.564 1.00 31.53 C ATOM 937 CG MET A 56 -3.916 3.429 14.164 1.00 21.34 C ATOM 938 SD MET A 56 -3.111 1.906 13.611 1.00 32.42 S ATOM 939 CE MET A 56 -4.515 0.838 13.304 1.00 21.21 C ATOM 0 H MET A 56 -3.784 6.166 12.896 1.00 32.34 H new ATOM 0 HA MET A 56 -4.275 5.716 15.703 1.00 33.15 H new ATOM 0 HB2 MET A 56 -2.203 4.647 13.732 1.00 31.53 H new ATOM 0 HB3 MET A 56 -2.302 4.118 15.399 1.00 31.53 H new ATOM 0 HG2 MET A 56 -4.564 3.211 15.012 1.00 21.34 H new ATOM 0 HG3 MET A 56 -4.552 3.815 13.367 1.00 21.34 H new ATOM 0 HE1 MET A 56 -4.282 0.156 12.486 1.00 21.21 H new ATOM 0 HE2 MET A 56 -4.738 0.263 14.203 1.00 21.21 H new ATOM 0 HE3 MET A 56 -5.381 1.443 13.036 1.00 21.21 H new ATOM 949 N GLY A 57 -1.680 7.556 14.762 1.00 73.11 N ATOM 950 CA GLY A 57 -0.631 8.495 15.214 1.00 74.54 C ATOM 951 C GLY A 57 0.784 8.123 14.743 1.00 54.03 C ATOM 952 O GLY A 57 1.715 8.923 14.888 1.00 2.32 O ATOM 0 H GLY A 57 -1.821 7.556 13.752 1.00 73.11 H new ATOM 0 HA2 GLY A 57 -0.872 9.495 14.853 1.00 74.54 H new ATOM 0 HA3 GLY A 57 -0.641 8.538 16.303 1.00 74.54 H new ATOM 956 N PHE A 58 0.944 6.917 14.175 1.00 32.40 N ATOM 957 CA PHE A 58 2.258 6.371 13.764 1.00 41.42 C ATOM 958 C PHE A 58 2.787 7.040 12.464 1.00 63.40 C ATOM 959 O PHE A 58 2.414 6.646 11.357 1.00 34.05 O ATOM 960 CB PHE A 58 2.131 4.837 13.564 1.00 43.03 C ATOM 961 CG PHE A 58 1.866 4.017 14.827 1.00 34.41 C ATOM 962 CD1 PHE A 58 0.567 3.834 15.298 1.00 73.13 C ATOM 963 CD2 PHE A 58 2.908 3.424 15.535 1.00 13.40 C ATOM 964 CE1 PHE A 58 0.316 3.082 16.429 1.00 61.13 C ATOM 965 CE2 PHE A 58 2.661 2.671 16.667 1.00 63.24 C ATOM 966 CZ PHE A 58 1.365 2.505 17.119 1.00 10.00 C ATOM 0 H PHE A 58 0.165 6.286 13.985 1.00 32.40 H new ATOM 0 HA PHE A 58 2.979 6.588 14.552 1.00 41.42 H new ATOM 0 HB2 PHE A 58 1.324 4.648 12.856 1.00 43.03 H new ATOM 0 HB3 PHE A 58 3.050 4.473 13.104 1.00 43.03 H new ATOM 0 HD1 PHE A 58 -0.258 4.288 14.769 1.00 73.13 H new ATOM 0 HD2 PHE A 58 3.925 3.555 15.194 1.00 13.40 H new ATOM 0 HE1 PHE A 58 -0.698 2.945 16.773 1.00 61.13 H new ATOM 0 HE2 PHE A 58 3.481 2.212 17.199 1.00 63.24 H new ATOM 0 HZ PHE A 58 1.173 1.925 18.010 1.00 10.00 H new ATOM 976 N SER A 59 3.655 8.061 12.611 1.00 14.11 N ATOM 977 CA SER A 59 4.342 8.705 11.456 1.00 23.31 C ATOM 978 C SER A 59 5.453 7.794 10.884 1.00 74.42 C ATOM 979 O SER A 59 5.793 7.893 9.704 1.00 31.33 O ATOM 980 CB SER A 59 4.935 10.079 11.854 1.00 32.22 C ATOM 981 OG SER A 59 3.917 10.988 12.247 1.00 1.02 O ATOM 0 H SER A 59 3.902 8.463 13.515 1.00 14.11 H new ATOM 0 HA SER A 59 3.592 8.862 10.681 1.00 23.31 H new ATOM 0 HB2 SER A 59 5.644 9.948 12.672 1.00 32.22 H new ATOM 0 HB3 SER A 59 5.491 10.494 11.014 1.00 32.22 H new ATOM 0 HG SER A 59 4.322 11.846 12.494 1.00 1.02 H new ATOM 987 N SER A 60 6.009 6.912 11.741 1.00 43.14 N ATOM 988 CA SER A 60 7.058 5.935 11.352 1.00 54.34 C ATOM 989 C SER A 60 6.543 4.919 10.302 1.00 25.50 C ATOM 990 O SER A 60 7.230 4.632 9.310 1.00 0.11 O ATOM 991 CB SER A 60 7.568 5.184 12.603 1.00 13.21 C ATOM 992 OG SER A 60 8.082 6.088 13.572 1.00 24.14 O ATOM 0 H SER A 60 5.745 6.854 12.725 1.00 43.14 H new ATOM 0 HA SER A 60 7.876 6.494 10.898 1.00 54.34 H new ATOM 0 HB2 SER A 60 6.755 4.604 13.039 1.00 13.21 H new ATOM 0 HB3 SER A 60 8.345 4.476 12.314 1.00 13.21 H new ATOM 0 HG SER A 60 8.396 5.586 14.353 1.00 24.14 H new ATOM 998 N VAL A 61 5.332 4.377 10.538 1.00 62.31 N ATOM 999 CA VAL A 61 4.671 3.446 9.587 1.00 42.42 C ATOM 1000 C VAL A 61 4.143 4.227 8.360 1.00 53.31 C ATOM 1001 O VAL A 61 4.344 3.815 7.215 1.00 25.30 O ATOM 1002 CB VAL A 61 3.481 2.663 10.256 1.00 33.20 C ATOM 1003 CG1 VAL A 61 2.923 1.554 9.319 1.00 43.52 C ATOM 1004 CG2 VAL A 61 3.880 2.092 11.640 1.00 50.42 C ATOM 0 H VAL A 61 4.787 4.565 11.379 1.00 62.31 H new ATOM 0 HA VAL A 61 5.420 2.718 9.275 1.00 42.42 H new ATOM 0 HB VAL A 61 2.677 3.380 10.421 1.00 33.20 H new ATOM 0 HG11 VAL A 61 2.103 1.036 9.816 1.00 43.52 H new ATOM 0 HG12 VAL A 61 2.560 2.006 8.396 1.00 43.52 H new ATOM 0 HG13 VAL A 61 3.715 0.841 9.087 1.00 43.52 H new ATOM 0 HG21 VAL A 61 3.033 1.558 12.071 1.00 50.42 H new ATOM 0 HG22 VAL A 61 4.719 1.407 11.523 1.00 50.42 H new ATOM 0 HG23 VAL A 61 4.169 2.909 12.301 1.00 50.42 H new ATOM 1014 N ALA A 62 3.498 5.387 8.635 1.00 10.22 N ATOM 1015 CA ALA A 62 2.962 6.306 7.592 1.00 3.40 C ATOM 1016 C ALA A 62 4.035 6.726 6.570 1.00 30.10 C ATOM 1017 O ALA A 62 3.716 6.962 5.409 1.00 54.24 O ATOM 1018 CB ALA A 62 2.323 7.546 8.236 1.00 61.04 C ATOM 0 H ALA A 62 3.333 5.715 9.587 1.00 10.22 H new ATOM 0 HA ALA A 62 2.197 5.753 7.048 1.00 3.40 H new ATOM 0 HB1 ALA A 62 1.938 8.203 7.456 1.00 61.04 H new ATOM 0 HB2 ALA A 62 1.505 7.237 8.887 1.00 61.04 H new ATOM 0 HB3 ALA A 62 3.072 8.078 8.822 1.00 61.04 H new ATOM 1024 N LYS A 63 5.297 6.824 7.037 1.00 25.02 N ATOM 1025 CA LYS A 63 6.475 7.111 6.187 1.00 64.21 C ATOM 1026 C LYS A 63 6.645 6.064 5.059 1.00 35.02 C ATOM 1027 O LYS A 63 6.843 6.425 3.895 1.00 22.13 O ATOM 1028 CB LYS A 63 7.753 7.161 7.068 1.00 31.41 C ATOM 1029 CG LYS A 63 9.053 7.524 6.309 1.00 2.42 C ATOM 1030 CD LYS A 63 10.291 7.551 7.235 1.00 14.23 C ATOM 1031 CE LYS A 63 11.585 7.954 6.500 1.00 11.11 C ATOM 1032 NZ LYS A 63 12.765 7.948 7.404 1.00 34.11 N ATOM 0 H LYS A 63 5.531 6.705 8.023 1.00 25.02 H new ATOM 0 HA LYS A 63 6.317 8.078 5.710 1.00 64.21 H new ATOM 0 HB2 LYS A 63 7.599 7.889 7.865 1.00 31.41 H new ATOM 0 HB3 LYS A 63 7.887 6.190 7.545 1.00 31.41 H new ATOM 0 HG2 LYS A 63 9.217 6.802 5.509 1.00 2.42 H new ATOM 0 HG3 LYS A 63 8.934 8.500 5.838 1.00 2.42 H new ATOM 0 HD2 LYS A 63 10.111 8.250 8.052 1.00 14.23 H new ATOM 0 HD3 LYS A 63 10.425 6.566 7.682 1.00 14.23 H new ATOM 0 HE2 LYS A 63 11.760 7.268 5.671 1.00 11.11 H new ATOM 0 HE3 LYS A 63 11.463 8.948 6.070 1.00 11.11 H new ATOM 0 HZ1 LYS A 63 13.613 8.225 6.870 1.00 34.11 H new ATOM 0 HZ2 LYS A 63 12.610 8.622 8.181 1.00 34.11 H new ATOM 0 HZ3 LYS A 63 12.898 6.993 7.795 1.00 34.11 H new ATOM 1046 N VAL A 64 6.536 4.771 5.424 1.00 25.21 N ATOM 1047 CA VAL A 64 6.671 3.640 4.472 1.00 33.45 C ATOM 1048 C VAL A 64 5.581 3.704 3.373 1.00 54.25 C ATOM 1049 O VAL A 64 5.858 3.519 2.192 1.00 42.03 O ATOM 1050 CB VAL A 64 6.598 2.250 5.214 1.00 12.42 C ATOM 1051 CG1 VAL A 64 6.835 1.064 4.237 1.00 14.32 C ATOM 1052 CG2 VAL A 64 7.592 2.195 6.404 1.00 31.23 C ATOM 0 H VAL A 64 6.352 4.477 6.383 1.00 25.21 H new ATOM 0 HA VAL A 64 7.651 3.731 4.003 1.00 33.45 H new ATOM 0 HB VAL A 64 5.589 2.150 5.613 1.00 12.42 H new ATOM 0 HG11 VAL A 64 6.777 0.124 4.785 1.00 14.32 H new ATOM 0 HG12 VAL A 64 6.073 1.077 3.457 1.00 14.32 H new ATOM 0 HG13 VAL A 64 7.821 1.159 3.782 1.00 14.32 H new ATOM 0 HG21 VAL A 64 7.518 1.225 6.895 1.00 31.23 H new ATOM 0 HG22 VAL A 64 8.608 2.339 6.036 1.00 31.23 H new ATOM 0 HG23 VAL A 64 7.349 2.982 7.118 1.00 31.23 H new ATOM 1062 N LEU A 65 4.349 3.998 3.789 1.00 64.23 N ATOM 1063 CA LEU A 65 3.192 4.137 2.873 1.00 33.24 C ATOM 1064 C LEU A 65 3.261 5.466 2.073 1.00 13.25 C ATOM 1065 O LEU A 65 2.768 5.544 0.941 1.00 63.43 O ATOM 1066 CB LEU A 65 1.854 4.029 3.666 1.00 14.14 C ATOM 1067 CG LEU A 65 1.485 2.615 4.239 1.00 44.41 C ATOM 1068 CD1 LEU A 65 1.363 1.567 3.110 1.00 53.21 C ATOM 1069 CD2 LEU A 65 2.475 2.150 5.322 1.00 63.53 C ATOM 0 H LEU A 65 4.114 4.149 4.770 1.00 64.23 H new ATOM 0 HA LEU A 65 3.231 3.320 2.152 1.00 33.24 H new ATOM 0 HB2 LEU A 65 1.894 4.733 4.497 1.00 14.14 H new ATOM 0 HB3 LEU A 65 1.044 4.353 3.012 1.00 14.14 H new ATOM 0 HG LEU A 65 0.510 2.712 4.717 1.00 44.41 H new ATOM 0 HD11 LEU A 65 1.107 0.598 3.539 1.00 53.21 H new ATOM 0 HD12 LEU A 65 0.583 1.873 2.412 1.00 53.21 H new ATOM 0 HD13 LEU A 65 2.313 1.490 2.581 1.00 53.21 H new ATOM 0 HD21 LEU A 65 2.178 1.167 5.688 1.00 63.53 H new ATOM 0 HD22 LEU A 65 3.477 2.092 4.898 1.00 63.53 H new ATOM 0 HD23 LEU A 65 2.471 2.861 6.148 1.00 63.53 H new ATOM 1081 N HIS A 66 3.901 6.494 2.665 1.00 14.31 N ATOM 1082 CA HIS A 66 4.087 7.824 2.035 1.00 3.21 C ATOM 1083 C HIS A 66 5.115 7.742 0.883 1.00 34.23 C ATOM 1084 O HIS A 66 5.035 8.515 -0.084 1.00 1.25 O ATOM 1085 CB HIS A 66 4.523 8.867 3.097 1.00 45.33 C ATOM 1086 CG HIS A 66 4.459 10.306 2.647 1.00 72.45 C ATOM 1087 ND1 HIS A 66 5.540 10.986 2.125 1.00 42.32 N ATOM 1088 CD2 HIS A 66 3.437 11.195 2.655 1.00 54.24 C ATOM 1089 CE1 HIS A 66 5.190 12.219 1.837 1.00 21.01 C ATOM 1090 NE2 HIS A 66 3.920 12.371 2.147 1.00 41.54 N ATOM 0 H HIS A 66 4.307 6.428 3.598 1.00 14.31 H new ATOM 0 HA HIS A 66 3.135 8.146 1.612 1.00 3.21 H new ATOM 0 HB2 HIS A 66 3.892 8.750 3.978 1.00 45.33 H new ATOM 0 HB3 HIS A 66 5.545 8.644 3.404 1.00 45.33 H new ATOM 0 HD2 HIS A 66 2.430 11.011 2.998 1.00 54.24 H new ATOM 0 HE1 HIS A 66 5.834 12.978 1.418 1.00 21.01 H new ATOM 0 HE2 HIS A 66 3.381 13.229 2.028 1.00 41.54 H new ATOM 1099 N THR A 67 6.084 6.796 0.993 1.00 55.40 N ATOM 1100 CA THR A 67 7.076 6.563 -0.094 1.00 54.31 C ATOM 1101 C THR A 67 6.397 5.912 -1.314 1.00 1.41 C ATOM 1102 O THR A 67 6.787 6.172 -2.450 1.00 2.24 O ATOM 1103 CB THR A 67 8.305 5.672 0.327 1.00 23.23 C ATOM 1104 OG1 THR A 67 7.892 4.329 0.612 1.00 12.42 O ATOM 1105 CG2 THR A 67 9.047 6.236 1.545 1.00 62.12 C ATOM 0 H THR A 67 6.200 6.192 1.806 1.00 55.40 H new ATOM 0 HA THR A 67 7.464 7.552 -0.338 1.00 54.31 H new ATOM 0 HB THR A 67 8.989 5.676 -0.522 1.00 23.23 H new ATOM 0 HG1 THR A 67 7.124 4.345 1.220 1.00 12.42 H new ATOM 0 HG21 THR A 67 9.885 5.585 1.794 1.00 62.12 H new ATOM 0 HG22 THR A 67 9.419 7.234 1.314 1.00 62.12 H new ATOM 0 HG23 THR A 67 8.365 6.290 2.394 1.00 62.12 H new ATOM 1113 N ILE A 68 5.365 5.078 -1.054 1.00 12.01 N ATOM 1114 CA ILE A 68 4.607 4.368 -2.120 1.00 73.23 C ATOM 1115 C ILE A 68 3.659 5.345 -2.841 1.00 61.33 C ATOM 1116 O ILE A 68 3.458 5.253 -4.053 1.00 74.32 O ATOM 1117 CB ILE A 68 3.781 3.147 -1.561 1.00 71.41 C ATOM 1118 CG1 ILE A 68 4.597 2.340 -0.503 1.00 61.23 C ATOM 1119 CG2 ILE A 68 3.295 2.221 -2.708 1.00 73.41 C ATOM 1120 CD1 ILE A 68 6.009 1.980 -0.921 1.00 22.42 C ATOM 0 H ILE A 68 5.033 4.877 -0.111 1.00 12.01 H new ATOM 0 HA ILE A 68 5.342 3.975 -2.823 1.00 73.23 H new ATOM 0 HB ILE A 68 2.901 3.554 -1.062 1.00 71.41 H new ATOM 0 HG12 ILE A 68 4.644 2.921 0.418 1.00 61.23 H new ATOM 0 HG13 ILE A 68 4.057 1.422 -0.273 1.00 61.23 H new ATOM 0 HG21 ILE A 68 2.729 1.389 -2.289 1.00 73.41 H new ATOM 0 HG22 ILE A 68 2.658 2.787 -3.388 1.00 73.41 H new ATOM 0 HG23 ILE A 68 4.156 1.835 -3.254 1.00 73.41 H new ATOM 0 HD11 ILE A 68 6.494 1.421 -0.121 1.00 22.42 H new ATOM 0 HD12 ILE A 68 5.977 1.368 -1.823 1.00 22.42 H new ATOM 0 HD13 ILE A 68 6.573 2.891 -1.121 1.00 22.42 H new ATOM 1132 N MET A 69 3.075 6.271 -2.060 1.00 61.21 N ATOM 1133 CA MET A 69 2.309 7.422 -2.593 1.00 73.05 C ATOM 1134 C MET A 69 3.154 8.206 -3.623 1.00 63.30 C ATOM 1135 O MET A 69 2.707 8.459 -4.733 1.00 40.22 O ATOM 1136 CB MET A 69 1.900 8.369 -1.441 1.00 23.34 C ATOM 1137 CG MET A 69 0.909 7.776 -0.439 1.00 70.24 C ATOM 1138 SD MET A 69 -0.793 7.745 -1.046 1.00 31.11 S ATOM 1139 CE MET A 69 -1.186 9.496 -1.122 1.00 24.44 C ATOM 0 H MET A 69 3.118 6.246 -1.041 1.00 61.21 H new ATOM 0 HA MET A 69 1.415 7.038 -3.084 1.00 73.05 H new ATOM 0 HB2 MET A 69 2.799 8.673 -0.904 1.00 23.34 H new ATOM 0 HB3 MET A 69 1.464 9.271 -1.870 1.00 23.34 H new ATOM 0 HG2 MET A 69 1.217 6.760 -0.192 1.00 70.24 H new ATOM 0 HG3 MET A 69 0.947 8.354 0.484 1.00 70.24 H new ATOM 0 HE1 MET A 69 -2.261 9.622 -1.254 1.00 24.44 H new ATOM 0 HE2 MET A 69 -0.875 9.979 -0.196 1.00 24.44 H new ATOM 0 HE3 MET A 69 -0.661 9.951 -1.962 1.00 24.44 H new ATOM 1149 N ASN A 70 4.390 8.544 -3.218 1.00 33.51 N ATOM 1150 CA ASN A 70 5.371 9.270 -4.058 1.00 50.23 C ATOM 1151 C ASN A 70 5.794 8.439 -5.300 1.00 40.13 C ATOM 1152 O ASN A 70 5.934 8.970 -6.408 1.00 5.01 O ATOM 1153 CB ASN A 70 6.622 9.587 -3.198 1.00 52.41 C ATOM 1154 CG ASN A 70 7.628 10.536 -3.872 1.00 22.54 C ATOM 1155 OD1 ASN A 70 8.839 10.376 -3.745 1.00 34.35 O ATOM 1156 ND2 ASN A 70 7.144 11.569 -4.543 1.00 30.35 N ATOM 0 H ASN A 70 4.745 8.320 -2.288 1.00 33.51 H new ATOM 0 HA ASN A 70 4.905 10.187 -4.418 1.00 50.23 H new ATOM 0 HB2 ASN A 70 6.298 10.029 -2.256 1.00 52.41 H new ATOM 0 HB3 ASN A 70 7.128 8.653 -2.955 1.00 52.41 H new ATOM 0 HD21 ASN A 70 7.780 12.247 -4.964 1.00 30.35 H new ATOM 0 HD22 ASN A 70 6.135 11.687 -4.639 1.00 30.35 H new ATOM 1163 N LEU A 71 5.985 7.136 -5.066 1.00 74.42 N ATOM 1164 CA LEU A 71 6.496 6.167 -6.061 1.00 15.31 C ATOM 1165 C LEU A 71 5.494 6.014 -7.242 1.00 53.21 C ATOM 1166 O LEU A 71 5.848 6.216 -8.412 1.00 60.21 O ATOM 1167 CB LEU A 71 6.767 4.813 -5.315 1.00 74.25 C ATOM 1168 CG LEU A 71 7.682 3.753 -6.015 1.00 62.25 C ATOM 1169 CD1 LEU A 71 8.184 2.686 -5.001 1.00 13.13 C ATOM 1170 CD2 LEU A 71 6.966 3.064 -7.195 1.00 22.03 C ATOM 0 H LEU A 71 5.786 6.709 -4.161 1.00 74.42 H new ATOM 0 HA LEU A 71 7.428 6.517 -6.505 1.00 15.31 H new ATOM 0 HB2 LEU A 71 7.211 5.049 -4.348 1.00 74.25 H new ATOM 0 HB3 LEU A 71 5.804 4.343 -5.118 1.00 74.25 H new ATOM 0 HG LEU A 71 8.542 4.293 -6.411 1.00 62.25 H new ATOM 0 HD11 LEU A 71 8.817 1.964 -5.516 1.00 13.13 H new ATOM 0 HD12 LEU A 71 8.758 3.174 -4.213 1.00 13.13 H new ATOM 0 HD13 LEU A 71 7.330 2.171 -4.562 1.00 13.13 H new ATOM 0 HD21 LEU A 71 7.636 2.336 -7.652 1.00 22.03 H new ATOM 0 HD22 LEU A 71 6.072 2.556 -6.832 1.00 22.03 H new ATOM 0 HD23 LEU A 71 6.683 3.812 -7.936 1.00 22.03 H new ATOM 1182 N VAL A 72 4.247 5.652 -6.902 1.00 63.21 N ATOM 1183 CA VAL A 72 3.144 5.488 -7.873 1.00 22.35 C ATOM 1184 C VAL A 72 2.726 6.850 -8.505 1.00 35.21 C ATOM 1185 O VAL A 72 2.314 6.901 -9.666 1.00 31.51 O ATOM 1186 CB VAL A 72 1.904 4.794 -7.198 1.00 42.34 C ATOM 1187 CG1 VAL A 72 0.784 4.520 -8.226 1.00 42.12 C ATOM 1188 CG2 VAL A 72 2.315 3.482 -6.476 1.00 51.24 C ATOM 0 H VAL A 72 3.970 5.462 -5.939 1.00 63.21 H new ATOM 0 HA VAL A 72 3.510 4.847 -8.675 1.00 22.35 H new ATOM 0 HB VAL A 72 1.514 5.484 -6.450 1.00 42.34 H new ATOM 0 HG11 VAL A 72 -0.058 4.040 -7.727 1.00 42.12 H new ATOM 0 HG12 VAL A 72 0.456 5.462 -8.667 1.00 42.12 H new ATOM 0 HG13 VAL A 72 1.163 3.865 -9.011 1.00 42.12 H new ATOM 0 HG21 VAL A 72 1.436 3.027 -6.020 1.00 51.24 H new ATOM 0 HG22 VAL A 72 2.749 2.790 -7.198 1.00 51.24 H new ATOM 0 HG23 VAL A 72 3.049 3.707 -5.703 1.00 51.24 H new ATOM 1198 N ASP A 73 2.869 7.952 -7.729 1.00 53.35 N ATOM 1199 CA ASP A 73 2.625 9.341 -8.218 1.00 63.21 C ATOM 1200 C ASP A 73 3.509 9.655 -9.456 1.00 62.31 C ATOM 1201 O ASP A 73 3.063 10.304 -10.405 1.00 53.21 O ATOM 1202 CB ASP A 73 2.915 10.354 -7.076 1.00 43.45 C ATOM 1203 CG ASP A 73 2.488 11.806 -7.370 1.00 22.32 C ATOM 1204 OD1 ASP A 73 3.233 12.531 -8.062 1.00 2.01 O ATOM 1205 OD2 ASP A 73 1.413 12.229 -6.892 1.00 72.53 O ATOM 0 H ASP A 73 3.155 7.909 -6.751 1.00 53.35 H new ATOM 0 HA ASP A 73 1.581 9.428 -8.520 1.00 63.21 H new ATOM 0 HB2 ASP A 73 2.405 10.017 -6.173 1.00 43.45 H new ATOM 0 HB3 ASP A 73 3.984 10.342 -6.862 1.00 43.45 H new ATOM 1210 N LYS A 74 4.765 9.169 -9.414 1.00 25.32 N ATOM 1211 CA LYS A 74 5.736 9.304 -10.526 1.00 1.21 C ATOM 1212 C LYS A 74 5.347 8.455 -11.763 1.00 64.30 C ATOM 1213 O LYS A 74 5.657 8.818 -12.892 1.00 53.20 O ATOM 1214 CB LYS A 74 7.150 8.910 -10.046 1.00 10.02 C ATOM 1215 CG LYS A 74 7.746 9.870 -8.999 1.00 31.31 C ATOM 1216 CD LYS A 74 9.215 9.553 -8.666 1.00 50.22 C ATOM 1217 CE LYS A 74 9.793 10.498 -7.599 1.00 5.12 C ATOM 1218 NZ LYS A 74 11.251 10.298 -7.416 1.00 40.13 N ATOM 0 H LYS A 74 5.139 8.670 -8.607 1.00 25.32 H new ATOM 0 HA LYS A 74 5.725 10.350 -10.833 1.00 1.21 H new ATOM 0 HB2 LYS A 74 7.113 7.906 -9.624 1.00 10.02 H new ATOM 0 HB3 LYS A 74 7.817 8.869 -10.907 1.00 10.02 H new ATOM 0 HG2 LYS A 74 7.675 10.893 -9.369 1.00 31.31 H new ATOM 0 HG3 LYS A 74 7.152 9.819 -8.086 1.00 31.31 H new ATOM 0 HD2 LYS A 74 9.291 8.524 -8.315 1.00 50.22 H new ATOM 0 HD3 LYS A 74 9.814 9.625 -9.574 1.00 50.22 H new ATOM 0 HE2 LYS A 74 9.602 11.532 -7.887 1.00 5.12 H new ATOM 0 HE3 LYS A 74 9.282 10.331 -6.651 1.00 5.12 H new ATOM 0 HZ1 LYS A 74 11.603 10.953 -6.689 1.00 40.13 H new ATOM 0 HZ2 LYS A 74 11.432 9.319 -7.116 1.00 40.13 H new ATOM 0 HZ3 LYS A 74 11.742 10.482 -8.314 1.00 40.13 H new ATOM 1232 N MET A 75 4.681 7.318 -11.527 1.00 25.42 N ATOM 1233 CA MET A 75 4.231 6.405 -12.605 1.00 41.20 C ATOM 1234 C MET A 75 3.097 7.026 -13.462 1.00 52.21 C ATOM 1235 O MET A 75 3.040 6.794 -14.677 1.00 12.25 O ATOM 1236 CB MET A 75 3.777 5.062 -11.983 1.00 14.44 C ATOM 1237 CG MET A 75 4.914 4.255 -11.341 1.00 31.24 C ATOM 1238 SD MET A 75 4.307 2.786 -10.494 1.00 61.12 S ATOM 1239 CE MET A 75 5.802 1.814 -10.333 1.00 42.35 C ATOM 0 H MET A 75 4.436 6.999 -10.590 1.00 25.42 H new ATOM 0 HA MET A 75 5.071 6.232 -13.277 1.00 41.20 H new ATOM 0 HB2 MET A 75 3.016 5.262 -11.229 1.00 14.44 H new ATOM 0 HB3 MET A 75 3.307 4.455 -12.757 1.00 14.44 H new ATOM 0 HG2 MET A 75 5.628 3.961 -12.110 1.00 31.24 H new ATOM 0 HG3 MET A 75 5.451 4.886 -10.632 1.00 31.24 H new ATOM 0 HE1 MET A 75 5.588 0.909 -9.764 1.00 42.35 H new ATOM 0 HE2 MET A 75 6.167 1.542 -11.323 1.00 42.35 H new ATOM 0 HE3 MET A 75 6.562 2.398 -9.814 1.00 42.35 H new ATOM 1249 N LEU A 76 2.208 7.810 -12.807 1.00 43.33 N ATOM 1250 CA LEU A 76 1.097 8.546 -13.484 1.00 0.34 C ATOM 1251 C LEU A 76 1.603 9.488 -14.608 1.00 11.12 C ATOM 1252 O LEU A 76 0.920 9.673 -15.628 1.00 41.34 O ATOM 1253 CB LEU A 76 0.246 9.340 -12.439 1.00 41.44 C ATOM 1254 CG LEU A 76 -0.981 8.578 -11.827 1.00 31.02 C ATOM 1255 CD1 LEU A 76 -0.560 7.302 -11.057 1.00 2.43 C ATOM 1256 CD2 LEU A 76 -1.831 9.513 -10.934 1.00 61.31 C ATOM 0 H LEU A 76 2.235 7.954 -11.798 1.00 43.33 H new ATOM 0 HA LEU A 76 0.465 7.797 -13.961 1.00 0.34 H new ATOM 0 HB2 LEU A 76 0.902 9.646 -11.624 1.00 41.44 H new ATOM 0 HB3 LEU A 76 -0.118 10.251 -12.914 1.00 41.44 H new ATOM 0 HG LEU A 76 -1.599 8.252 -12.664 1.00 31.02 H new ATOM 0 HD11 LEU A 76 -1.446 6.812 -10.653 1.00 2.43 H new ATOM 0 HD12 LEU A 76 -0.046 6.621 -11.735 1.00 2.43 H new ATOM 0 HD13 LEU A 76 0.108 7.574 -10.240 1.00 2.43 H new ATOM 0 HD21 LEU A 76 -2.674 8.957 -10.524 1.00 61.31 H new ATOM 0 HD22 LEU A 76 -1.217 9.895 -10.118 1.00 61.31 H new ATOM 0 HD23 LEU A 76 -2.202 10.347 -11.530 1.00 61.31 H new ATOM 1268 N ASN A 77 2.784 10.089 -14.402 1.00 72.23 N ATOM 1269 CA ASN A 77 3.449 10.928 -15.421 1.00 62.02 C ATOM 1270 C ASN A 77 4.469 10.096 -16.233 1.00 71.11 C ATOM 1271 O ASN A 77 5.317 9.391 -15.679 1.00 51.45 O ATOM 1272 CB ASN A 77 4.104 12.185 -14.775 1.00 44.03 C ATOM 1273 CG ASN A 77 4.788 11.914 -13.439 1.00 65.43 C ATOM 1274 OD1 ASN A 77 5.962 11.590 -13.376 1.00 1.45 O ATOM 1275 ND2 ASN A 77 4.052 12.031 -12.354 1.00 4.23 N ATOM 0 H ASN A 77 3.307 10.010 -13.530 1.00 72.23 H new ATOM 0 HA ASN A 77 2.691 11.287 -16.117 1.00 62.02 H new ATOM 0 HB2 ASN A 77 4.837 12.597 -15.469 1.00 44.03 H new ATOM 0 HB3 ASN A 77 3.338 12.947 -14.631 1.00 44.03 H new ATOM 0 HD21 ASN A 77 4.462 11.849 -11.438 1.00 4.23 H new ATOM 0 HD22 ASN A 77 3.072 12.303 -12.429 1.00 4.23 H new ATOM 1282 N SER A 78 4.391 10.234 -17.568 1.00 3.31 N ATOM 1283 CA SER A 78 5.173 9.431 -18.543 1.00 24.34 C ATOM 1284 C SER A 78 6.660 9.880 -18.640 1.00 74.24 C ATOM 1285 O SER A 78 7.428 9.347 -19.450 1.00 74.41 O ATOM 1286 CB SER A 78 4.479 9.524 -19.928 1.00 63.53 C ATOM 1287 OG SER A 78 5.094 8.685 -20.897 1.00 43.14 O ATOM 0 H SER A 78 3.776 10.915 -18.013 1.00 3.31 H new ATOM 0 HA SER A 78 5.194 8.398 -18.196 1.00 24.34 H new ATOM 0 HB2 SER A 78 3.430 9.248 -19.825 1.00 63.53 H new ATOM 0 HB3 SER A 78 4.504 10.557 -20.276 1.00 63.53 H new ATOM 0 HG SER A 78 6.056 8.627 -20.717 1.00 43.14 H new ATOM 1293 N GLU A 79 7.057 10.851 -17.796 1.00 54.44 N ATOM 1294 CA GLU A 79 8.446 11.354 -17.735 1.00 35.55 C ATOM 1295 C GLU A 79 9.383 10.345 -17.011 1.00 1.43 C ATOM 1296 O GLU A 79 10.573 10.259 -17.315 1.00 22.24 O ATOM 1297 CB GLU A 79 8.460 12.736 -17.013 1.00 3.34 C ATOM 1298 CG GLU A 79 8.025 12.698 -15.540 1.00 63.13 C ATOM 1299 CD GLU A 79 8.087 14.059 -14.830 1.00 51.22 C ATOM 1300 OE1 GLU A 79 9.155 14.394 -14.274 1.00 23.52 O ATOM 1301 OE2 GLU A 79 7.072 14.789 -14.814 1.00 40.22 O ATOM 0 H GLU A 79 6.427 11.309 -17.138 1.00 54.44 H new ATOM 0 HA GLU A 79 8.822 11.471 -18.751 1.00 35.55 H new ATOM 0 HB2 GLU A 79 9.467 13.149 -17.069 1.00 3.34 H new ATOM 0 HB3 GLU A 79 7.805 13.419 -17.553 1.00 3.34 H new ATOM 0 HG2 GLU A 79 7.005 12.318 -15.484 1.00 63.13 H new ATOM 0 HG3 GLU A 79 8.659 11.992 -15.004 1.00 63.13 H new ATOM 1308 N ILE A 80 8.811 9.574 -16.064 1.00 3.14 N ATOM 1309 CA ILE A 80 9.563 8.667 -15.158 1.00 32.13 C ATOM 1310 C ILE A 80 9.675 7.231 -15.720 1.00 12.31 C ATOM 1311 O ILE A 80 10.736 6.603 -15.585 1.00 20.12 O ATOM 1312 CB ILE A 80 8.869 8.658 -13.742 1.00 62.34 C ATOM 1313 CG1 ILE A 80 8.878 10.101 -13.134 1.00 60.31 C ATOM 1314 CG2 ILE A 80 9.499 7.623 -12.764 1.00 30.23 C ATOM 1315 CD1 ILE A 80 10.243 10.615 -12.683 1.00 54.01 C ATOM 0 H ILE A 80 7.804 9.560 -15.901 1.00 3.14 H new ATOM 0 HA ILE A 80 10.582 9.045 -15.070 1.00 32.13 H new ATOM 0 HB ILE A 80 7.837 8.339 -13.886 1.00 62.34 H new ATOM 0 HG12 ILE A 80 8.476 10.791 -13.875 1.00 60.31 H new ATOM 0 HG13 ILE A 80 8.201 10.121 -12.280 1.00 60.31 H new ATOM 0 HG21 ILE A 80 8.979 7.664 -11.807 1.00 30.23 H new ATOM 0 HG22 ILE A 80 9.406 6.622 -13.185 1.00 30.23 H new ATOM 0 HG23 ILE A 80 10.553 7.858 -12.615 1.00 30.23 H new ATOM 0 HD11 ILE A 80 10.137 11.622 -12.278 1.00 54.01 H new ATOM 0 HD12 ILE A 80 10.644 9.955 -11.914 1.00 54.01 H new ATOM 0 HD13 ILE A 80 10.923 10.636 -13.534 1.00 54.01 H new ATOM 1327 N LYS A 81 8.571 6.734 -16.335 1.00 42.34 N ATOM 1328 CA LYS A 81 8.450 5.352 -16.891 1.00 60.45 C ATOM 1329 C LYS A 81 8.291 4.279 -15.771 1.00 75.31 C ATOM 1330 O LYS A 81 8.940 4.346 -14.716 1.00 34.32 O ATOM 1331 CB LYS A 81 9.644 5.003 -17.838 1.00 71.24 C ATOM 1332 CG LYS A 81 9.584 3.611 -18.503 1.00 71.02 C ATOM 1333 CD LYS A 81 10.888 3.250 -19.253 1.00 23.22 C ATOM 1334 CE LYS A 81 11.241 4.240 -20.378 1.00 13.12 C ATOM 1335 NZ LYS A 81 12.526 3.896 -21.032 1.00 53.51 N ATOM 0 H LYS A 81 7.724 7.288 -16.463 1.00 42.34 H new ATOM 0 HA LYS A 81 7.537 5.336 -17.487 1.00 60.45 H new ATOM 0 HB2 LYS A 81 9.695 5.758 -18.622 1.00 71.24 H new ATOM 0 HB3 LYS A 81 10.570 5.073 -17.267 1.00 71.24 H new ATOM 0 HG2 LYS A 81 9.388 2.857 -17.741 1.00 71.02 H new ATOM 0 HG3 LYS A 81 8.748 3.583 -19.202 1.00 71.02 H new ATOM 0 HD2 LYS A 81 11.711 3.214 -18.539 1.00 23.22 H new ATOM 0 HD3 LYS A 81 10.790 2.250 -19.676 1.00 23.22 H new ATOM 0 HE2 LYS A 81 10.444 4.244 -21.122 1.00 13.12 H new ATOM 0 HE3 LYS A 81 11.300 5.249 -19.969 1.00 13.12 H new ATOM 0 HZ1 LYS A 81 12.729 4.586 -21.784 1.00 53.51 H new ATOM 0 HZ2 LYS A 81 13.291 3.917 -20.327 1.00 53.51 H new ATOM 0 HZ3 LYS A 81 12.462 2.943 -21.444 1.00 53.51 H new ATOM 1349 N ILE A 82 7.420 3.276 -16.020 1.00 24.30 N ATOM 1350 CA ILE A 82 7.118 2.202 -15.048 1.00 55.42 C ATOM 1351 C ILE A 82 8.065 1.013 -15.285 1.00 33.20 C ATOM 1352 O ILE A 82 7.849 0.191 -16.190 1.00 33.13 O ATOM 1353 CB ILE A 82 5.609 1.706 -15.103 1.00 40.43 C ATOM 1354 CG1 ILE A 82 4.593 2.886 -14.932 1.00 30.34 C ATOM 1355 CG2 ILE A 82 5.343 0.615 -14.035 1.00 43.23 C ATOM 1356 CD1 ILE A 82 4.361 3.736 -16.169 1.00 10.32 C ATOM 0 H ILE A 82 6.908 3.188 -16.898 1.00 24.30 H new ATOM 0 HA ILE A 82 7.270 2.624 -14.055 1.00 55.42 H new ATOM 0 HB ILE A 82 5.455 1.277 -16.093 1.00 40.43 H new ATOM 0 HG12 ILE A 82 3.636 2.474 -14.611 1.00 30.34 H new ATOM 0 HG13 ILE A 82 4.947 3.533 -14.129 1.00 30.34 H new ATOM 0 HG21 ILE A 82 4.303 0.293 -14.095 1.00 43.23 H new ATOM 0 HG22 ILE A 82 5.997 -0.238 -14.215 1.00 43.23 H new ATOM 0 HG23 ILE A 82 5.541 1.021 -13.043 1.00 43.23 H new ATOM 0 HD11 ILE A 82 3.642 4.522 -15.940 1.00 10.32 H new ATOM 0 HD12 ILE A 82 5.303 4.186 -16.483 1.00 10.32 H new ATOM 0 HD13 ILE A 82 3.972 3.111 -16.972 1.00 10.32 H new ATOM 1368 N THR A 83 9.143 0.956 -14.489 1.00 21.32 N ATOM 1369 CA THR A 83 10.126 -0.138 -14.552 1.00 32.11 C ATOM 1370 C THR A 83 9.636 -1.364 -13.750 1.00 52.21 C ATOM 1371 O THR A 83 9.104 -1.207 -12.651 1.00 5.13 O ATOM 1372 CB THR A 83 11.527 0.331 -14.029 1.00 60.21 C ATOM 1373 OG1 THR A 83 11.988 1.428 -14.829 1.00 3.42 O ATOM 1374 CG2 THR A 83 12.592 -0.786 -14.052 1.00 63.23 C ATOM 0 H THR A 83 9.358 1.663 -13.786 1.00 21.32 H new ATOM 0 HA THR A 83 10.232 -0.428 -15.597 1.00 32.11 H new ATOM 0 HB THR A 83 11.392 0.627 -12.989 1.00 60.21 H new ATOM 0 HG1 THR A 83 12.863 1.725 -14.504 1.00 3.42 H new ATOM 0 HG21 THR A 83 13.538 -0.395 -13.678 1.00 63.23 H new ATOM 0 HG22 THR A 83 12.266 -1.613 -13.421 1.00 63.23 H new ATOM 0 HG23 THR A 83 12.725 -1.141 -15.074 1.00 63.23 H new ATOM 1382 N SER A 84 9.826 -2.574 -14.314 1.00 22.20 N ATOM 1383 CA SER A 84 9.423 -3.853 -13.674 1.00 42.44 C ATOM 1384 C SER A 84 10.075 -4.048 -12.284 1.00 31.23 C ATOM 1385 O SER A 84 9.406 -4.444 -11.330 1.00 5.21 O ATOM 1386 CB SER A 84 9.771 -5.039 -14.595 1.00 42.52 C ATOM 1387 OG SER A 84 11.163 -5.086 -14.870 1.00 15.35 O ATOM 0 H SER A 84 10.263 -2.697 -15.227 1.00 22.20 H new ATOM 0 HA SER A 84 8.345 -3.812 -13.521 1.00 42.44 H new ATOM 0 HB2 SER A 84 9.459 -5.971 -14.125 1.00 42.52 H new ATOM 0 HB3 SER A 84 9.216 -4.952 -15.529 1.00 42.52 H new ATOM 0 HG SER A 84 11.355 -5.849 -15.455 1.00 15.35 H new ATOM 1393 N ASP A 85 11.375 -3.734 -12.189 1.00 22.04 N ATOM 1394 CA ASP A 85 12.152 -3.808 -10.927 1.00 72.45 C ATOM 1395 C ASP A 85 11.629 -2.804 -9.869 1.00 65.44 C ATOM 1396 O ASP A 85 11.697 -3.053 -8.658 1.00 45.03 O ATOM 1397 CB ASP A 85 13.633 -3.517 -11.216 1.00 2.23 C ATOM 1398 CG ASP A 85 14.215 -4.399 -12.331 1.00 11.20 C ATOM 1399 OD1 ASP A 85 14.022 -4.064 -13.519 1.00 63.41 O ATOM 1400 OD2 ASP A 85 14.858 -5.428 -12.034 1.00 62.02 O ATOM 0 H ASP A 85 11.927 -3.419 -12.986 1.00 22.04 H new ATOM 0 HA ASP A 85 12.036 -4.814 -10.524 1.00 72.45 H new ATOM 0 HB2 ASP A 85 13.743 -2.469 -11.495 1.00 2.23 H new ATOM 0 HB3 ASP A 85 14.211 -3.666 -10.304 1.00 2.23 H new ATOM 1405 N LEU A 86 11.127 -1.658 -10.353 1.00 4.11 N ATOM 1406 CA LEU A 86 10.505 -0.624 -9.505 1.00 2.34 C ATOM 1407 C LEU A 86 9.136 -1.110 -8.952 1.00 33.10 C ATOM 1408 O LEU A 86 8.748 -0.768 -7.828 1.00 35.52 O ATOM 1409 CB LEU A 86 10.329 0.684 -10.311 1.00 61.14 C ATOM 1410 CG LEU A 86 9.718 1.880 -9.526 1.00 24.44 C ATOM 1411 CD1 LEU A 86 10.706 2.455 -8.488 1.00 64.30 C ATOM 1412 CD2 LEU A 86 9.201 2.976 -10.486 1.00 34.24 C ATOM 0 H LEU A 86 11.140 -1.420 -11.345 1.00 4.11 H new ATOM 0 HA LEU A 86 11.161 -0.432 -8.656 1.00 2.34 H new ATOM 0 HB2 LEU A 86 11.303 0.986 -10.697 1.00 61.14 H new ATOM 0 HB3 LEU A 86 9.695 0.476 -11.173 1.00 61.14 H new ATOM 0 HG LEU A 86 8.862 1.497 -8.970 1.00 24.44 H new ATOM 0 HD11 LEU A 86 10.238 3.288 -7.963 1.00 64.30 H new ATOM 0 HD12 LEU A 86 10.973 1.679 -7.771 1.00 64.30 H new ATOM 0 HD13 LEU A 86 11.605 2.805 -8.996 1.00 64.30 H new ATOM 0 HD21 LEU A 86 8.780 3.798 -9.907 1.00 34.24 H new ATOM 0 HD22 LEU A 86 10.026 3.346 -11.094 1.00 34.24 H new ATOM 0 HD23 LEU A 86 8.431 2.558 -11.135 1.00 34.24 H new ATOM 1424 N ILE A 87 8.409 -1.906 -9.766 1.00 2.42 N ATOM 1425 CA ILE A 87 7.168 -2.596 -9.332 1.00 12.04 C ATOM 1426 C ILE A 87 7.486 -3.596 -8.182 1.00 11.03 C ATOM 1427 O ILE A 87 6.679 -3.781 -7.263 1.00 24.50 O ATOM 1428 CB ILE A 87 6.487 -3.372 -10.531 1.00 4.22 C ATOM 1429 CG1 ILE A 87 6.254 -2.432 -11.757 1.00 61.11 C ATOM 1430 CG2 ILE A 87 5.154 -4.044 -10.106 1.00 13.44 C ATOM 1431 CD1 ILE A 87 5.799 -3.137 -13.035 1.00 24.13 C ATOM 0 H ILE A 87 8.661 -2.090 -10.737 1.00 2.42 H new ATOM 0 HA ILE A 87 6.473 -1.835 -8.977 1.00 12.04 H new ATOM 0 HB ILE A 87 7.178 -4.161 -10.827 1.00 4.22 H new ATOM 0 HG12 ILE A 87 5.507 -1.685 -11.486 1.00 61.11 H new ATOM 0 HG13 ILE A 87 7.180 -1.896 -11.966 1.00 61.11 H new ATOM 0 HG21 ILE A 87 4.721 -4.565 -10.960 1.00 13.44 H new ATOM 0 HG22 ILE A 87 5.346 -4.757 -9.304 1.00 13.44 H new ATOM 0 HG23 ILE A 87 4.458 -3.282 -9.755 1.00 13.44 H new ATOM 0 HD11 ILE A 87 5.664 -2.401 -13.828 1.00 24.13 H new ATOM 0 HD12 ILE A 87 6.553 -3.863 -13.338 1.00 24.13 H new ATOM 0 HD13 ILE A 87 4.855 -3.650 -12.851 1.00 24.13 H new ATOM 1443 N ASP A 88 8.702 -4.204 -8.233 1.00 43.20 N ATOM 1444 CA ASP A 88 9.180 -5.149 -7.194 1.00 2.34 C ATOM 1445 C ASP A 88 9.466 -4.418 -5.864 1.00 54.21 C ATOM 1446 O ASP A 88 9.389 -5.034 -4.788 1.00 12.11 O ATOM 1447 CB ASP A 88 10.422 -5.944 -7.662 1.00 43.25 C ATOM 1448 CG ASP A 88 10.111 -6.940 -8.788 1.00 33.53 C ATOM 1449 OD1 ASP A 88 9.461 -7.973 -8.515 1.00 34.01 O ATOM 1450 OD2 ASP A 88 10.515 -6.708 -9.941 1.00 42.42 O ATOM 0 H ASP A 88 9.370 -4.053 -8.989 1.00 43.20 H new ATOM 0 HA ASP A 88 8.378 -5.867 -7.023 1.00 2.34 H new ATOM 0 HB2 ASP A 88 11.185 -5.245 -8.004 1.00 43.25 H new ATOM 0 HB3 ASP A 88 10.841 -6.484 -6.813 1.00 43.25 H new ATOM 1455 N LYS A 89 9.803 -3.107 -5.946 1.00 1.51 N ATOM 1456 CA LYS A 89 9.985 -2.262 -4.747 1.00 14.11 C ATOM 1457 C LYS A 89 8.649 -2.101 -3.988 1.00 11.41 C ATOM 1458 O LYS A 89 8.606 -2.233 -2.765 1.00 11.01 O ATOM 1459 CB LYS A 89 10.572 -0.881 -5.130 1.00 13.43 C ATOM 1460 CG LYS A 89 12.046 -0.943 -5.580 1.00 15.23 C ATOM 1461 CD LYS A 89 12.615 0.431 -5.986 1.00 65.42 C ATOM 1462 CE LYS A 89 14.117 0.374 -6.298 1.00 4.12 C ATOM 1463 NZ LYS A 89 14.936 0.161 -5.074 1.00 74.03 N ATOM 0 H LYS A 89 9.953 -2.617 -6.828 1.00 1.51 H new ATOM 0 HA LYS A 89 10.696 -2.757 -4.085 1.00 14.11 H new ATOM 0 HB2 LYS A 89 9.973 -0.450 -5.932 1.00 13.43 H new ATOM 0 HB3 LYS A 89 10.489 -0.210 -4.275 1.00 13.43 H new ATOM 0 HG2 LYS A 89 12.649 -1.354 -4.771 1.00 15.23 H new ATOM 0 HG3 LYS A 89 12.133 -1.629 -6.423 1.00 15.23 H new ATOM 0 HD2 LYS A 89 12.079 0.799 -6.861 1.00 65.42 H new ATOM 0 HD3 LYS A 89 12.441 1.145 -5.181 1.00 65.42 H new ATOM 0 HE2 LYS A 89 14.309 -0.432 -7.007 1.00 4.12 H new ATOM 0 HE3 LYS A 89 14.422 1.303 -6.781 1.00 4.12 H new ATOM 0 HZ1 LYS A 89 15.945 0.230 -5.315 1.00 74.03 H new ATOM 0 HZ2 LYS A 89 14.698 0.886 -4.367 1.00 74.03 H new ATOM 0 HZ3 LYS A 89 14.738 -0.782 -4.683 1.00 74.03 H new ATOM 1477 N VAL A 90 7.564 -1.866 -4.755 1.00 21.34 N ATOM 1478 CA VAL A 90 6.185 -1.707 -4.216 1.00 52.54 C ATOM 1479 C VAL A 90 5.723 -2.988 -3.462 1.00 65.24 C ATOM 1480 O VAL A 90 5.077 -2.907 -2.404 1.00 73.22 O ATOM 1481 CB VAL A 90 5.158 -1.376 -5.375 1.00 3.22 C ATOM 1482 CG1 VAL A 90 3.750 -1.023 -4.822 1.00 22.12 C ATOM 1483 CG2 VAL A 90 5.693 -0.251 -6.296 1.00 24.24 C ATOM 0 H VAL A 90 7.613 -1.780 -5.770 1.00 21.34 H new ATOM 0 HA VAL A 90 6.207 -0.875 -3.512 1.00 52.54 H new ATOM 0 HB VAL A 90 5.052 -2.280 -5.974 1.00 3.22 H new ATOM 0 HG11 VAL A 90 3.078 -0.803 -5.651 1.00 22.12 H new ATOM 0 HG12 VAL A 90 3.360 -1.867 -4.253 1.00 22.12 H new ATOM 0 HG13 VAL A 90 3.822 -0.151 -4.173 1.00 22.12 H new ATOM 0 HG21 VAL A 90 4.965 -0.047 -7.081 1.00 24.24 H new ATOM 0 HG22 VAL A 90 5.856 0.653 -5.709 1.00 24.24 H new ATOM 0 HG23 VAL A 90 6.634 -0.566 -6.746 1.00 24.24 H new ATOM 1493 N LYS A 91 6.107 -4.162 -4.014 1.00 75.04 N ATOM 1494 CA LYS A 91 5.731 -5.489 -3.467 1.00 4.35 C ATOM 1495 C LYS A 91 6.272 -5.709 -2.031 1.00 23.53 C ATOM 1496 O LYS A 91 5.516 -6.048 -1.130 1.00 32.32 O ATOM 1497 CB LYS A 91 6.256 -6.630 -4.379 1.00 5.02 C ATOM 1498 CG LYS A 91 5.774 -6.577 -5.843 1.00 13.22 C ATOM 1499 CD LYS A 91 6.362 -7.723 -6.692 1.00 2.41 C ATOM 1500 CE LYS A 91 6.014 -7.601 -8.180 1.00 4.11 C ATOM 1501 NZ LYS A 91 6.606 -8.699 -8.974 1.00 1.23 N ATOM 0 H LYS A 91 6.687 -4.217 -4.852 1.00 75.04 H new ATOM 0 HA LYS A 91 4.642 -5.509 -3.432 1.00 4.35 H new ATOM 0 HB2 LYS A 91 7.346 -6.607 -4.371 1.00 5.02 H new ATOM 0 HB3 LYS A 91 5.954 -7.585 -3.949 1.00 5.02 H new ATOM 0 HG2 LYS A 91 4.686 -6.631 -5.868 1.00 13.22 H new ATOM 0 HG3 LYS A 91 6.056 -5.620 -6.282 1.00 13.22 H new ATOM 0 HD2 LYS A 91 7.446 -7.735 -6.577 1.00 2.41 H new ATOM 0 HD3 LYS A 91 5.991 -8.676 -6.314 1.00 2.41 H new ATOM 0 HE2 LYS A 91 4.931 -7.607 -8.302 1.00 4.11 H new ATOM 0 HE3 LYS A 91 6.372 -6.644 -8.560 1.00 4.11 H new ATOM 0 HZ1 LYS A 91 6.293 -8.620 -9.963 1.00 1.23 H new ATOM 0 HZ2 LYS A 91 7.643 -8.637 -8.933 1.00 1.23 H new ATOM 0 HZ3 LYS A 91 6.298 -9.613 -8.585 1.00 1.23 H new ATOM 1515 N LYS A 92 7.583 -5.482 -1.824 1.00 24.13 N ATOM 1516 CA LYS A 92 8.237 -5.777 -0.532 1.00 4.42 C ATOM 1517 C LYS A 92 7.778 -4.807 0.597 1.00 23.32 C ATOM 1518 O LYS A 92 7.733 -5.179 1.772 1.00 71.01 O ATOM 1519 CB LYS A 92 9.782 -5.752 -0.683 1.00 15.31 C ATOM 1520 CG LYS A 92 10.535 -6.109 0.617 1.00 65.00 C ATOM 1521 CD LYS A 92 10.214 -7.550 1.110 1.00 54.44 C ATOM 1522 CE LYS A 92 10.632 -7.801 2.570 1.00 74.04 C ATOM 1523 NZ LYS A 92 12.091 -7.633 2.801 1.00 21.41 N ATOM 0 H LYS A 92 8.209 -5.097 -2.531 1.00 24.13 H new ATOM 0 HA LYS A 92 7.928 -6.780 -0.237 1.00 4.42 H new ATOM 0 HB2 LYS A 92 10.074 -6.452 -1.466 1.00 15.31 H new ATOM 0 HB3 LYS A 92 10.091 -4.760 -1.011 1.00 15.31 H new ATOM 0 HG2 LYS A 92 11.608 -6.015 0.450 1.00 65.00 H new ATOM 0 HG3 LYS A 92 10.270 -5.394 1.396 1.00 65.00 H new ATOM 0 HD2 LYS A 92 9.144 -7.731 1.009 1.00 54.44 H new ATOM 0 HD3 LYS A 92 10.721 -8.268 0.466 1.00 54.44 H new ATOM 0 HE2 LYS A 92 10.087 -7.116 3.220 1.00 74.04 H new ATOM 0 HE3 LYS A 92 10.340 -8.812 2.856 1.00 74.04 H new ATOM 0 HZ1 LYS A 92 12.307 -7.816 3.802 1.00 21.41 H new ATOM 0 HZ2 LYS A 92 12.616 -8.304 2.205 1.00 21.41 H new ATOM 0 HZ3 LYS A 92 12.371 -6.661 2.558 1.00 21.41 H new ATOM 1537 N LYS A 93 7.457 -3.571 0.216 1.00 35.55 N ATOM 1538 CA LYS A 93 6.986 -2.518 1.153 1.00 72.32 C ATOM 1539 C LYS A 93 5.635 -2.861 1.841 1.00 72.33 C ATOM 1540 O LYS A 93 5.493 -2.661 3.051 1.00 54.52 O ATOM 1541 CB LYS A 93 6.871 -1.184 0.397 1.00 24.51 C ATOM 1542 CG LYS A 93 8.216 -0.625 -0.121 1.00 52.31 C ATOM 1543 CD LYS A 93 9.136 -0.098 1.001 1.00 70.01 C ATOM 1544 CE LYS A 93 10.408 0.555 0.433 1.00 33.32 C ATOM 1545 NZ LYS A 93 11.257 1.124 1.500 1.00 72.24 N ATOM 0 H LYS A 93 7.512 -3.257 -0.753 1.00 35.55 H new ATOM 0 HA LYS A 93 7.724 -2.445 1.952 1.00 72.32 H new ATOM 0 HB2 LYS A 93 6.197 -1.317 -0.449 1.00 24.51 H new ATOM 0 HB3 LYS A 93 6.414 -0.445 1.056 1.00 24.51 H new ATOM 0 HG2 LYS A 93 8.738 -1.408 -0.671 1.00 52.31 H new ATOM 0 HG3 LYS A 93 8.018 0.182 -0.827 1.00 52.31 H new ATOM 0 HD2 LYS A 93 8.593 0.628 1.606 1.00 70.01 H new ATOM 0 HD3 LYS A 93 9.412 -0.920 1.661 1.00 70.01 H new ATOM 0 HE2 LYS A 93 10.977 -0.186 -0.128 1.00 33.32 H new ATOM 0 HE3 LYS A 93 10.130 1.342 -0.269 1.00 33.32 H new ATOM 0 HZ1 LYS A 93 12.104 1.555 1.077 1.00 72.24 H new ATOM 0 HZ2 LYS A 93 10.722 1.849 2.019 1.00 72.24 H new ATOM 0 HZ3 LYS A 93 11.543 0.369 2.156 1.00 72.24 H new ATOM 1559 N LEU A 94 4.648 -3.355 1.067 1.00 13.23 N ATOM 1560 CA LEU A 94 3.331 -3.783 1.625 1.00 71.34 C ATOM 1561 C LEU A 94 3.472 -5.085 2.457 1.00 43.53 C ATOM 1562 O LEU A 94 2.712 -5.323 3.408 1.00 41.03 O ATOM 1563 CB LEU A 94 2.268 -3.923 0.488 1.00 71.20 C ATOM 1564 CG LEU A 94 2.621 -4.867 -0.718 1.00 62.30 C ATOM 1565 CD1 LEU A 94 2.445 -6.368 -0.384 1.00 30.31 C ATOM 1566 CD2 LEU A 94 1.822 -4.491 -1.975 1.00 65.31 C ATOM 0 H LEU A 94 4.728 -3.471 0.057 1.00 13.23 H new ATOM 0 HA LEU A 94 2.978 -3.009 2.306 1.00 71.34 H new ATOM 0 HB2 LEU A 94 1.341 -4.280 0.936 1.00 71.20 H new ATOM 0 HB3 LEU A 94 2.067 -2.928 0.090 1.00 71.20 H new ATOM 0 HG LEU A 94 3.681 -4.713 -0.922 1.00 62.30 H new ATOM 0 HD11 LEU A 94 2.704 -6.968 -1.257 1.00 30.31 H new ATOM 0 HD12 LEU A 94 3.098 -6.635 0.447 1.00 30.31 H new ATOM 0 HD13 LEU A 94 1.409 -6.560 -0.107 1.00 30.31 H new ATOM 0 HD21 LEU A 94 2.089 -5.163 -2.791 1.00 65.31 H new ATOM 0 HD22 LEU A 94 0.755 -4.578 -1.768 1.00 65.31 H new ATOM 0 HD23 LEU A 94 2.053 -3.465 -2.260 1.00 65.31 H new ATOM 1578 N ASP A 95 4.454 -5.930 2.061 1.00 3.50 N ATOM 1579 CA ASP A 95 4.851 -7.123 2.828 1.00 54.00 C ATOM 1580 C ASP A 95 5.377 -6.710 4.209 1.00 34.14 C ATOM 1581 O ASP A 95 5.001 -7.288 5.213 1.00 4.42 O ATOM 1582 CB ASP A 95 5.936 -7.941 2.069 1.00 11.32 C ATOM 1583 CG ASP A 95 5.355 -8.810 0.943 1.00 31.50 C ATOM 1584 OD1 ASP A 95 4.467 -9.633 1.237 1.00 74.13 O ATOM 1585 OD2 ASP A 95 5.803 -8.711 -0.218 1.00 53.03 O ATOM 0 H ASP A 95 4.989 -5.799 1.202 1.00 3.50 H new ATOM 0 HA ASP A 95 3.972 -7.755 2.952 1.00 54.00 H new ATOM 0 HB2 ASP A 95 6.672 -7.256 1.648 1.00 11.32 H new ATOM 0 HB3 ASP A 95 6.464 -8.579 2.778 1.00 11.32 H new ATOM 1590 N MET A 96 6.229 -5.672 4.217 1.00 32.43 N ATOM 1591 CA MET A 96 6.811 -5.070 5.439 1.00 23.01 C ATOM 1592 C MET A 96 5.719 -4.568 6.423 1.00 43.12 C ATOM 1593 O MET A 96 5.890 -4.666 7.636 1.00 15.31 O ATOM 1594 CB MET A 96 7.771 -3.917 5.014 1.00 22.40 C ATOM 1595 CG MET A 96 8.245 -2.981 6.137 1.00 22.32 C ATOM 1596 SD MET A 96 9.429 -1.744 5.556 1.00 40.55 S ATOM 1597 CE MET A 96 9.780 -0.854 7.074 1.00 23.44 C ATOM 0 H MET A 96 6.542 -5.215 3.360 1.00 32.43 H new ATOM 0 HA MET A 96 7.370 -5.834 5.979 1.00 23.01 H new ATOM 0 HB2 MET A 96 8.649 -4.358 4.542 1.00 22.40 H new ATOM 0 HB3 MET A 96 7.270 -3.316 4.255 1.00 22.40 H new ATOM 0 HG2 MET A 96 7.383 -2.477 6.573 1.00 22.32 H new ATOM 0 HG3 MET A 96 8.703 -3.573 6.930 1.00 22.32 H new ATOM 0 HE1 MET A 96 10.353 0.045 6.845 1.00 23.44 H new ATOM 0 HE2 MET A 96 8.844 -0.574 7.556 1.00 23.44 H new ATOM 0 HE3 MET A 96 10.357 -1.491 7.744 1.00 23.44 H new ATOM 1607 N VAL A 97 4.603 -4.046 5.878 1.00 74.12 N ATOM 1608 CA VAL A 97 3.420 -3.620 6.679 1.00 0.30 C ATOM 1609 C VAL A 97 2.792 -4.826 7.441 1.00 0.55 C ATOM 1610 O VAL A 97 2.516 -4.745 8.648 1.00 31.41 O ATOM 1611 CB VAL A 97 2.345 -2.931 5.751 1.00 52.42 C ATOM 1612 CG1 VAL A 97 1.065 -2.520 6.530 1.00 40.31 C ATOM 1613 CG2 VAL A 97 2.958 -1.710 5.017 1.00 64.35 C ATOM 0 H VAL A 97 4.488 -3.905 4.874 1.00 74.12 H new ATOM 0 HA VAL A 97 3.758 -2.895 7.419 1.00 0.30 H new ATOM 0 HB VAL A 97 2.041 -3.671 5.010 1.00 52.42 H new ATOM 0 HG11 VAL A 97 0.358 -2.051 5.846 1.00 40.31 H new ATOM 0 HG12 VAL A 97 0.609 -3.405 6.973 1.00 40.31 H new ATOM 0 HG13 VAL A 97 1.329 -1.815 7.318 1.00 40.31 H new ATOM 0 HG21 VAL A 97 2.201 -1.249 4.383 1.00 64.35 H new ATOM 0 HG22 VAL A 97 3.309 -0.983 5.750 1.00 64.35 H new ATOM 0 HG23 VAL A 97 3.796 -2.038 4.402 1.00 64.35 H new ATOM 1623 N THR A 98 2.601 -5.947 6.721 1.00 24.30 N ATOM 1624 CA THR A 98 2.091 -7.213 7.307 1.00 23.43 C ATOM 1625 C THR A 98 3.097 -7.813 8.328 1.00 50.22 C ATOM 1626 O THR A 98 2.724 -8.211 9.437 1.00 43.02 O ATOM 1627 CB THR A 98 1.802 -8.278 6.192 1.00 71.11 C ATOM 1628 OG1 THR A 98 0.902 -7.728 5.214 1.00 44.25 O ATOM 1629 CG2 THR A 98 1.194 -9.578 6.765 1.00 53.02 C ATOM 0 H THR A 98 2.793 -6.007 5.721 1.00 24.30 H new ATOM 0 HA THR A 98 1.163 -6.968 7.823 1.00 23.43 H new ATOM 0 HB THR A 98 2.758 -8.530 5.732 1.00 71.11 H new ATOM 0 HG1 THR A 98 0.726 -8.396 4.519 1.00 44.25 H new ATOM 0 HG21 THR A 98 1.012 -10.283 5.954 1.00 53.02 H new ATOM 0 HG22 THR A 98 1.887 -10.019 7.481 1.00 53.02 H new ATOM 0 HG23 THR A 98 0.253 -9.350 7.265 1.00 53.02 H new ATOM 1637 N ARG A 99 4.379 -7.836 7.927 1.00 42.14 N ATOM 1638 CA ARG A 99 5.488 -8.437 8.703 1.00 62.43 C ATOM 1639 C ARG A 99 5.832 -7.622 9.965 1.00 71.53 C ATOM 1640 O ARG A 99 6.375 -8.171 10.916 1.00 75.41 O ATOM 1641 CB ARG A 99 6.750 -8.628 7.815 1.00 44.52 C ATOM 1642 CG ARG A 99 6.574 -9.629 6.645 1.00 24.22 C ATOM 1643 CD ARG A 99 6.241 -11.060 7.112 1.00 11.31 C ATOM 1644 NE ARG A 99 6.054 -11.981 5.970 1.00 12.42 N ATOM 1645 CZ ARG A 99 6.814 -13.014 5.670 1.00 71.12 C ATOM 1646 NH1 ARG A 99 7.869 -13.304 6.376 1.00 2.31 N ATOM 1647 NH2 ARG A 99 6.514 -13.754 4.656 1.00 73.30 N ATOM 0 H ARG A 99 4.684 -7.432 7.041 1.00 42.14 H new ATOM 0 HA ARG A 99 5.143 -9.416 9.036 1.00 62.43 H new ATOM 0 HB2 ARG A 99 7.040 -7.660 7.406 1.00 44.52 H new ATOM 0 HB3 ARG A 99 7.573 -8.967 8.445 1.00 44.52 H new ATOM 0 HG2 ARG A 99 5.779 -9.274 5.989 1.00 24.22 H new ATOM 0 HG3 ARG A 99 7.490 -9.651 6.054 1.00 24.22 H new ATOM 0 HD2 ARG A 99 7.044 -11.430 7.750 1.00 11.31 H new ATOM 0 HD3 ARG A 99 5.335 -11.043 7.717 1.00 11.31 H new ATOM 0 HE ARG A 99 5.260 -11.799 5.356 1.00 12.42 H new ATOM 0 HH11 ARG A 99 8.120 -12.727 7.178 1.00 2.31 H new ATOM 0 HH12 ARG A 99 8.444 -14.109 6.127 1.00 2.31 H new ATOM 0 HH21 ARG A 99 5.692 -13.537 4.092 1.00 73.30 H new ATOM 0 HH22 ARG A 99 7.099 -14.555 4.419 1.00 73.30 H new ATOM 1661 N GLU A 100 5.547 -6.310 9.947 1.00 61.43 N ATOM 1662 CA GLU A 100 5.745 -5.430 11.119 1.00 33.33 C ATOM 1663 C GLU A 100 4.798 -5.839 12.275 1.00 4.25 C ATOM 1664 O GLU A 100 5.222 -5.964 13.428 1.00 15.14 O ATOM 1665 CB GLU A 100 5.491 -3.952 10.727 1.00 53.12 C ATOM 1666 CG GLU A 100 5.845 -2.934 11.828 1.00 4.52 C ATOM 1667 CD GLU A 100 5.361 -1.508 11.519 1.00 42.31 C ATOM 1668 OE1 GLU A 100 4.191 -1.202 11.840 1.00 14.31 O ATOM 1669 OE2 GLU A 100 6.144 -0.698 10.974 1.00 22.31 O ATOM 0 H GLU A 100 5.175 -5.828 9.128 1.00 61.43 H new ATOM 0 HA GLU A 100 6.775 -5.537 11.458 1.00 33.33 H new ATOM 0 HB2 GLU A 100 6.072 -3.720 9.834 1.00 53.12 H new ATOM 0 HB3 GLU A 100 4.440 -3.834 10.463 1.00 53.12 H new ATOM 0 HG2 GLU A 100 5.407 -3.262 12.771 1.00 4.52 H new ATOM 0 HG3 GLU A 100 6.926 -2.921 11.966 1.00 4.52 H new ATOM 1676 N LEU A 101 3.508 -6.052 11.930 1.00 24.14 N ATOM 1677 CA LEU A 101 2.474 -6.523 12.885 1.00 45.42 C ATOM 1678 C LEU A 101 2.763 -7.980 13.343 1.00 44.24 C ATOM 1679 O LEU A 101 2.591 -8.322 14.517 1.00 64.31 O ATOM 1680 CB LEU A 101 1.065 -6.417 12.241 1.00 61.04 C ATOM 1681 CG LEU A 101 -0.153 -6.772 13.162 1.00 63.14 C ATOM 1682 CD1 LEU A 101 -0.227 -5.842 14.399 1.00 73.45 C ATOM 1683 CD2 LEU A 101 -1.477 -6.748 12.365 1.00 4.41 C ATOM 0 H LEU A 101 3.153 -5.903 10.985 1.00 24.14 H new ATOM 0 HA LEU A 101 2.503 -5.885 13.768 1.00 45.42 H new ATOM 0 HB2 LEU A 101 0.932 -5.398 11.877 1.00 61.04 H new ATOM 0 HB3 LEU A 101 1.037 -7.073 11.371 1.00 61.04 H new ATOM 0 HG LEU A 101 0.001 -7.787 13.529 1.00 63.14 H new ATOM 0 HD11 LEU A 101 -1.084 -6.120 15.012 1.00 73.45 H new ATOM 0 HD12 LEU A 101 0.686 -5.943 14.985 1.00 73.45 H new ATOM 0 HD13 LEU A 101 -0.335 -4.808 14.071 1.00 73.45 H new ATOM 0 HD21 LEU A 101 -2.305 -6.998 13.028 1.00 4.41 H new ATOM 0 HD22 LEU A 101 -1.633 -5.753 11.948 1.00 4.41 H new ATOM 0 HD23 LEU A 101 -1.428 -7.476 11.556 1.00 4.41 H new ATOM 1695 N ASP A 102 3.223 -8.815 12.393 1.00 31.23 N ATOM 1696 CA ASP A 102 3.705 -10.193 12.663 1.00 65.13 C ATOM 1697 C ASP A 102 4.898 -10.182 13.659 1.00 62.12 C ATOM 1698 O ASP A 102 5.003 -11.036 14.535 1.00 64.01 O ATOM 1699 CB ASP A 102 4.108 -10.854 11.319 1.00 33.30 C ATOM 1700 CG ASP A 102 4.730 -12.256 11.466 1.00 55.10 C ATOM 1701 OD1 ASP A 102 3.979 -13.228 11.695 1.00 70.11 O ATOM 1702 OD2 ASP A 102 5.966 -12.395 11.340 1.00 33.21 O ATOM 0 H ASP A 102 3.273 -8.556 11.408 1.00 31.23 H new ATOM 0 HA ASP A 102 2.906 -10.772 13.126 1.00 65.13 H new ATOM 0 HB2 ASP A 102 3.226 -10.925 10.683 1.00 33.30 H new ATOM 0 HB3 ASP A 102 4.819 -10.205 10.807 1.00 33.30 H new ATOM 1707 N LYS A 103 5.770 -9.178 13.518 1.00 34.11 N ATOM 1708 CA LYS A 103 6.959 -8.982 14.382 1.00 3.42 C ATOM 1709 C LYS A 103 6.568 -8.376 15.758 1.00 1.33 C ATOM 1710 O LYS A 103 7.325 -8.458 16.724 1.00 23.33 O ATOM 1711 CB LYS A 103 7.954 -8.068 13.627 1.00 44.40 C ATOM 1712 CG LYS A 103 9.358 -7.919 14.250 1.00 41.13 C ATOM 1713 CD LYS A 103 10.286 -7.041 13.371 1.00 52.34 C ATOM 1714 CE LYS A 103 10.495 -7.623 11.953 1.00 31.42 C ATOM 1715 NZ LYS A 103 11.211 -6.680 11.058 1.00 71.15 N ATOM 0 H LYS A 103 5.677 -8.465 12.794 1.00 34.11 H new ATOM 0 HA LYS A 103 7.425 -9.945 14.592 1.00 3.42 H new ATOM 0 HB2 LYS A 103 8.069 -8.452 12.613 1.00 44.40 H new ATOM 0 HB3 LYS A 103 7.510 -7.076 13.543 1.00 44.40 H new ATOM 0 HG2 LYS A 103 9.271 -7.476 15.242 1.00 41.13 H new ATOM 0 HG3 LYS A 103 9.805 -8.905 14.379 1.00 41.13 H new ATOM 0 HD2 LYS A 103 9.861 -6.040 13.289 1.00 52.34 H new ATOM 0 HD3 LYS A 103 11.253 -6.938 13.863 1.00 52.34 H new ATOM 0 HE2 LYS A 103 11.059 -8.553 12.024 1.00 31.42 H new ATOM 0 HE3 LYS A 103 9.527 -7.870 11.517 1.00 31.42 H new ATOM 0 HZ1 LYS A 103 11.328 -7.113 10.120 1.00 71.15 H new ATOM 0 HZ2 LYS A 103 10.661 -5.802 10.968 1.00 71.15 H new ATOM 0 HZ3 LYS A 103 12.146 -6.464 11.458 1.00 71.15 H new ATOM 1729 N LYS A 104 5.382 -7.753 15.827 1.00 62.42 N ATOM 1730 CA LYS A 104 4.804 -7.260 17.101 1.00 41.34 C ATOM 1731 C LYS A 104 4.150 -8.408 17.917 1.00 42.32 C ATOM 1732 O LYS A 104 4.135 -8.369 19.152 1.00 2.10 O ATOM 1733 CB LYS A 104 3.804 -6.107 16.815 1.00 73.45 C ATOM 1734 CG LYS A 104 4.509 -4.796 16.375 1.00 34.30 C ATOM 1735 CD LYS A 104 3.561 -3.782 15.712 1.00 15.11 C ATOM 1736 CE LYS A 104 4.295 -2.487 15.288 1.00 50.23 C ATOM 1737 NZ LYS A 104 3.425 -1.547 14.537 1.00 62.40 N ATOM 0 H LYS A 104 4.795 -7.574 15.012 1.00 62.42 H new ATOM 0 HA LYS A 104 5.611 -6.867 17.719 1.00 41.34 H new ATOM 0 HB2 LYS A 104 3.109 -6.420 16.036 1.00 73.45 H new ATOM 0 HB3 LYS A 104 3.213 -5.914 17.710 1.00 73.45 H new ATOM 0 HG2 LYS A 104 4.973 -4.332 17.246 1.00 34.30 H new ATOM 0 HG3 LYS A 104 5.311 -5.040 15.679 1.00 34.30 H new ATOM 0 HD2 LYS A 104 3.098 -4.238 14.837 1.00 15.11 H new ATOM 0 HD3 LYS A 104 2.757 -3.532 16.404 1.00 15.11 H new ATOM 0 HE2 LYS A 104 4.680 -1.986 16.177 1.00 50.23 H new ATOM 0 HE3 LYS A 104 5.155 -2.749 14.672 1.00 50.23 H new ATOM 0 HZ1 LYS A 104 3.759 -1.474 13.555 1.00 62.40 H new ATOM 0 HZ2 LYS A 104 2.446 -1.898 14.545 1.00 62.40 H new ATOM 0 HZ3 LYS A 104 3.460 -0.609 14.985 1.00 62.40 H new ATOM 1751 N VAL A 105 3.632 -9.438 17.216 1.00 35.14 N ATOM 1752 CA VAL A 105 3.021 -10.634 17.859 1.00 23.11 C ATOM 1753 C VAL A 105 4.092 -11.738 18.118 1.00 62.12 C ATOM 1754 O VAL A 105 4.409 -12.055 19.268 1.00 3.34 O ATOM 1755 CB VAL A 105 1.844 -11.215 16.978 1.00 71.55 C ATOM 1756 CG1 VAL A 105 1.153 -12.422 17.669 1.00 5.12 C ATOM 1757 CG2 VAL A 105 0.810 -10.113 16.630 1.00 1.13 C ATOM 0 H VAL A 105 3.622 -9.471 16.197 1.00 35.14 H new ATOM 0 HA VAL A 105 2.610 -10.317 18.818 1.00 23.11 H new ATOM 0 HB VAL A 105 2.283 -11.575 16.048 1.00 71.55 H new ATOM 0 HG11 VAL A 105 0.350 -12.794 17.033 1.00 5.12 H new ATOM 0 HG12 VAL A 105 1.883 -13.215 17.832 1.00 5.12 H new ATOM 0 HG13 VAL A 105 0.741 -12.106 18.627 1.00 5.12 H new ATOM 0 HG21 VAL A 105 0.012 -10.541 16.024 1.00 1.13 H new ATOM 0 HG22 VAL A 105 0.389 -9.706 17.549 1.00 1.13 H new ATOM 0 HG23 VAL A 105 1.302 -9.316 16.072 1.00 1.13 H new ATOM 1767 N SER A 106 4.649 -12.300 17.028 1.00 22.14 N ATOM 1768 CA SER A 106 5.665 -13.395 17.071 1.00 33.55 C ATOM 1769 C SER A 106 7.036 -12.921 17.619 1.00 61.34 C ATOM 1770 O SER A 106 7.803 -13.727 18.165 1.00 43.20 O ATOM 1771 CB SER A 106 5.850 -13.983 15.648 1.00 44.34 C ATOM 1772 OG SER A 106 6.822 -15.022 15.613 1.00 45.20 O ATOM 0 H SER A 106 4.411 -12.011 16.079 1.00 22.14 H new ATOM 0 HA SER A 106 5.291 -14.156 17.756 1.00 33.55 H new ATOM 0 HB2 SER A 106 4.896 -14.370 15.291 1.00 44.34 H new ATOM 0 HB3 SER A 106 6.148 -13.187 14.965 1.00 44.34 H new ATOM 0 HG SER A 106 6.904 -15.363 14.698 1.00 45.20 H new ATOM 1778 N GLY A 107 7.327 -11.615 17.472 1.00 30.34 N ATOM 1779 CA GLY A 107 8.626 -11.040 17.871 1.00 32.45 C ATOM 1780 C GLY A 107 8.781 -10.795 19.378 1.00 12.23 C ATOM 1781 O GLY A 107 8.722 -9.649 19.846 1.00 51.41 O ATOM 0 H GLY A 107 6.677 -10.935 17.078 1.00 30.34 H new ATOM 0 HA2 GLY A 107 9.421 -11.709 17.541 1.00 32.45 H new ATOM 0 HA3 GLY A 107 8.767 -10.095 17.346 1.00 32.45 H new ATOM 1785 N SER A 108 8.969 -11.888 20.135 1.00 53.43 N ATOM 1786 CA SER A 108 9.304 -11.848 21.577 1.00 21.20 C ATOM 1787 C SER A 108 10.572 -12.688 21.815 1.00 11.11 C ATOM 1788 O SER A 108 10.499 -13.905 22.017 1.00 33.31 O ATOM 1789 CB SER A 108 8.123 -12.364 22.438 1.00 64.10 C ATOM 1790 OG SER A 108 8.396 -12.231 23.829 1.00 31.10 O ATOM 0 H SER A 108 8.893 -12.835 19.765 1.00 53.43 H new ATOM 0 HA SER A 108 9.491 -10.817 21.877 1.00 21.20 H new ATOM 0 HB2 SER A 108 7.219 -11.808 22.189 1.00 64.10 H new ATOM 0 HB3 SER A 108 7.929 -13.410 22.202 1.00 64.10 H new ATOM 0 HG SER A 108 7.632 -12.563 24.345 1.00 31.10 H new ATOM 1796 N TYR A 109 11.745 -12.034 21.708 1.00 33.24 N ATOM 1797 CA TYR A 109 13.072 -12.700 21.759 1.00 75.32 C ATOM 1798 C TYR A 109 14.048 -11.923 22.679 1.00 44.31 C ATOM 1799 O TYR A 109 13.706 -10.847 23.189 1.00 74.02 O ATOM 1800 CB TYR A 109 13.677 -12.808 20.326 1.00 22.44 C ATOM 1801 CG TYR A 109 12.769 -13.487 19.286 1.00 54.04 C ATOM 1802 CD1 TYR A 109 12.481 -14.854 19.363 1.00 11.35 C ATOM 1803 CD2 TYR A 109 12.186 -12.761 18.243 1.00 73.24 C ATOM 1804 CE1 TYR A 109 11.654 -15.464 18.438 1.00 74.04 C ATOM 1805 CE2 TYR A 109 11.357 -13.372 17.322 1.00 10.42 C ATOM 1806 CZ TYR A 109 11.096 -14.719 17.422 1.00 51.12 C ATOM 1807 OH TYR A 109 10.261 -15.325 16.506 1.00 71.44 O ATOM 0 H TYR A 109 11.805 -11.023 21.583 1.00 33.24 H new ATOM 0 HA TYR A 109 12.931 -13.700 22.168 1.00 75.32 H new ATOM 0 HB2 TYR A 109 13.920 -11.805 19.974 1.00 22.44 H new ATOM 0 HB3 TYR A 109 14.614 -13.362 20.384 1.00 22.44 H new ATOM 0 HD1 TYR A 109 12.912 -15.443 20.159 1.00 11.35 H new ATOM 0 HD2 TYR A 109 12.387 -11.704 18.156 1.00 73.24 H new ATOM 0 HE1 TYR A 109 11.446 -16.521 18.512 1.00 74.04 H new ATOM 0 HE2 TYR A 109 10.915 -12.793 16.525 1.00 10.42 H new ATOM 0 HH TYR A 109 9.951 -14.660 15.856 1.00 71.44 H new ATOM 1817 N LEU A 110 15.271 -12.485 22.850 1.00 32.12 N ATOM 1818 CA LEU A 110 16.368 -11.895 23.668 1.00 12.01 C ATOM 1819 C LEU A 110 15.924 -11.651 25.142 1.00 72.33 C ATOM 1820 O LEU A 110 15.860 -10.507 25.610 1.00 41.33 O ATOM 1821 CB LEU A 110 16.957 -10.587 23.017 1.00 10.55 C ATOM 1822 CG LEU A 110 17.793 -10.728 21.689 1.00 42.35 C ATOM 1823 CD1 LEU A 110 18.996 -11.671 21.868 1.00 65.33 C ATOM 1824 CD2 LEU A 110 16.926 -11.152 20.480 1.00 64.34 C ATOM 0 H LEU A 110 15.529 -13.373 22.419 1.00 32.12 H new ATOM 0 HA LEU A 110 17.173 -12.630 23.688 1.00 12.01 H new ATOM 0 HB2 LEU A 110 16.126 -9.911 22.817 1.00 10.55 H new ATOM 0 HB3 LEU A 110 17.591 -10.102 23.759 1.00 10.55 H new ATOM 0 HG LEU A 110 18.179 -9.733 21.467 1.00 42.35 H new ATOM 0 HD11 LEU A 110 19.546 -11.741 20.930 1.00 65.33 H new ATOM 0 HD12 LEU A 110 19.652 -11.280 22.645 1.00 65.33 H new ATOM 0 HD13 LEU A 110 18.643 -12.661 22.156 1.00 65.33 H new ATOM 0 HD21 LEU A 110 17.554 -11.234 19.593 1.00 64.34 H new ATOM 0 HD22 LEU A 110 16.462 -12.116 20.686 1.00 64.34 H new ATOM 0 HD23 LEU A 110 16.151 -10.405 20.308 1.00 64.34 H new ATOM 1836 N VAL A 111 15.591 -12.745 25.859 1.00 0.53 N ATOM 1837 CA VAL A 111 15.099 -12.682 27.263 1.00 71.34 C ATOM 1838 C VAL A 111 16.128 -13.288 28.277 1.00 23.21 C ATOM 1839 O VAL A 111 16.819 -14.272 27.957 1.00 63.45 O ATOM 1840 CB VAL A 111 13.693 -13.401 27.413 1.00 52.24 C ATOM 1841 CG1 VAL A 111 12.645 -12.774 26.455 1.00 22.41 C ATOM 1842 CG2 VAL A 111 13.792 -14.937 27.195 1.00 64.01 C ATOM 0 H VAL A 111 15.653 -13.694 25.489 1.00 0.53 H new ATOM 0 HA VAL A 111 14.978 -11.626 27.504 1.00 71.34 H new ATOM 0 HB VAL A 111 13.362 -13.243 28.439 1.00 52.24 H new ATOM 0 HG11 VAL A 111 11.690 -13.284 26.577 1.00 22.41 H new ATOM 0 HG12 VAL A 111 12.524 -11.716 26.690 1.00 22.41 H new ATOM 0 HG13 VAL A 111 12.984 -12.880 25.425 1.00 22.41 H new ATOM 0 HG21 VAL A 111 12.805 -15.385 27.308 1.00 64.01 H new ATOM 0 HG22 VAL A 111 14.170 -15.139 26.193 1.00 64.01 H new ATOM 0 HG23 VAL A 111 14.471 -15.366 27.932 1.00 64.01 H new ATOM 1852 N PRO A 112 16.276 -12.686 29.512 1.00 61.11 N ATOM 1853 CA PRO A 112 17.067 -13.289 30.628 1.00 74.43 C ATOM 1854 C PRO A 112 16.336 -14.488 31.300 1.00 12.41 C ATOM 1855 O PRO A 112 15.100 -14.568 31.270 1.00 42.01 O ATOM 1856 CB PRO A 112 17.257 -12.100 31.630 1.00 64.25 C ATOM 1857 CG PRO A 112 16.800 -10.877 30.882 1.00 75.14 C ATOM 1858 CD PRO A 112 15.745 -11.359 29.915 1.00 32.54 C ATOM 0 HA PRO A 112 18.010 -13.710 30.279 1.00 74.43 H new ATOM 0 HB2 PRO A 112 16.669 -12.250 32.535 1.00 64.25 H new ATOM 0 HB3 PRO A 112 18.298 -12.007 31.938 1.00 64.25 H new ATOM 0 HG2 PRO A 112 16.394 -10.130 31.564 1.00 75.14 H new ATOM 0 HG3 PRO A 112 17.630 -10.408 30.354 1.00 75.14 H new ATOM 0 HD2 PRO A 112 14.765 -11.438 30.386 1.00 32.54 H new ATOM 0 HD3 PRO A 112 15.636 -10.688 29.063 1.00 32.54 H new ATOM 1866 N ARG A 113 17.114 -15.414 31.906 1.00 63.32 N ATOM 1867 CA ARG A 113 16.563 -16.588 32.638 1.00 31.21 C ATOM 1868 C ARG A 113 16.187 -16.168 34.098 1.00 43.33 C ATOM 1869 O ARG A 113 17.103 -15.969 34.930 1.00 38.79 O ATOM 1870 CB ARG A 113 17.587 -17.780 32.602 1.00 53.43 C ATOM 1871 CG ARG A 113 17.002 -19.203 32.875 1.00 3.13 C ATOM 1872 CD ARG A 113 16.689 -19.494 34.359 1.00 11.31 C ATOM 1873 NE ARG A 113 16.058 -20.820 34.537 1.00 13.32 N ATOM 1874 CZ ARG A 113 16.403 -21.734 35.423 1.00 64.43 C ATOM 1875 NH1 ARG A 113 17.397 -21.543 36.239 1.00 30.24 N ATOM 1876 NH2 ARG A 113 15.761 -22.852 35.474 1.00 44.23 N ATOM 1877 OXT ARG A 113 14.977 -16.044 34.401 1.00 38.79 O ATOM 0 H ARG A 113 18.133 -15.374 31.904 1.00 63.32 H new ATOM 0 HA ARG A 113 15.652 -16.936 32.150 1.00 31.21 H new ATOM 0 HB2 ARG A 113 18.067 -17.789 31.623 1.00 53.43 H new ATOM 0 HB3 ARG A 113 18.367 -17.584 33.338 1.00 53.43 H new ATOM 0 HG2 ARG A 113 16.088 -19.324 32.294 1.00 3.13 H new ATOM 0 HG3 ARG A 113 17.710 -19.948 32.513 1.00 3.13 H new ATOM 0 HD2 ARG A 113 17.610 -19.449 34.940 1.00 11.31 H new ATOM 0 HD3 ARG A 113 16.027 -18.721 34.749 1.00 11.31 H new ATOM 0 HE ARG A 113 15.282 -21.049 33.915 1.00 13.32 H new ATOM 0 HH11 ARG A 113 17.927 -20.673 36.202 1.00 30.24 H new ATOM 0 HH12 ARG A 113 17.646 -22.264 36.916 1.00 30.24 H new ATOM 0 HH21 ARG A 113 14.989 -23.027 34.830 1.00 44.23 H new ATOM 0 HH22 ARG A 113 16.025 -23.561 36.158 1.00 44.23 H new TER 1891 ARG A 113