USER MOD reduce.3.24.130724 H: found=0, std=0, add=1101, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1101 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 82 ASN : amide:sc= -1.1 K(o=-2.3,f=-13!) USER MOD Set 1.2: A 83 ASN :FLIP amide:sc= -1.17 F(o=-7.6!,f=-2.3) USER MOD Set 2.1: A 46 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 47 HIS : no HD1:sc= 0 X(o=0,f=0.049) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -138:sc= -0.93 (180deg=-2.53!) USER MOD Single : A 11 ASN :FLIP amide:sc= -1.19 F(o=-3.9!,f=-1.2) USER MOD Single : A 13 GLN : amide:sc= -1.11 X(o=-1.1,f=-0.77) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.231 USER MOD Single : A 22 THR OG1 : rot -150:sc= -0.119 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.0273 X(o=-0.027,f=-0.11) USER MOD Single : A 32 GLN : amide:sc= 1.67 K(o=1.7,f=-5.4!) USER MOD Single : A 36 MET CE :methyl -151:sc= -0.349 (180deg=-0.905) USER MOD Single : A 37 ASN : amide:sc= -1.46 K(o=-1.5,f=-7.1!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 42:sc= 0.231 USER MOD Single : A 58 SER OG : rot 180:sc= -0.0106 USER MOD Single : A 68 THR OG1 : rot 90:sc= -0.299 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.418 X(o=-0.42,f=-0.2) USER MOD Single : A 84 ASN :FLIP amide:sc= -3.2 F(o=-5.2,f=-3.2) USER MOD Single : A 94 GLN : amide:sc= -0.425! C(o=-0.43!,f=-11!) USER MOD Single : A 101 THR OG1 : rot 126:sc= 0.544 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 71:sc= 0.861 USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 122 MET CE :methyl -143:sc= -0.789 (180deg=-2.87!) USER MOD Single : A 125 HIS : no HE2:sc= -0.979 K(o=-0.98,f=-1.7!) USER MOD Single : A 128 SER OG : rot 89:sc= 1.02 USER MOD Single : A 130 ASN : amide:sc= 0.138 K(o=0.14,f=-4.3!) USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD Single : A 136 SER OG : rot 180:sc= 0.965 USER MOD Single : A 143 GLN : amide:sc= -0.377 K(o=-0.38,f=-3.2) USER MOD Single : A 144 GLN :FLIP amide:sc= -0.566 F(o=-2!,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 44 N VAL A 3 6.188 -3.047 18.272 1.00 1.32 N ATOM 45 CA VAL A 3 7.200 -3.549 17.324 1.00 45.32 C ATOM 46 C VAL A 3 6.722 -4.700 16.405 1.00 34.53 C ATOM 47 O VAL A 3 6.555 -5.843 16.836 1.00 61.51 O ATOM 48 CB VAL A 3 8.477 -3.995 18.079 1.00 13.02 C ATOM 49 CG1 VAL A 3 9.554 -4.482 17.108 1.00 74.33 C ATOM 50 CG2 VAL A 3 9.009 -2.862 18.957 1.00 74.40 C ATOM 0 HA VAL A 3 7.409 -2.704 16.668 1.00 45.32 H new ATOM 0 HB VAL A 3 8.209 -4.832 18.724 1.00 13.02 H new ATOM 0 HG11 VAL A 3 10.438 -4.788 17.668 1.00 74.33 H new ATOM 0 HG12 VAL A 3 9.174 -5.330 16.538 1.00 74.33 H new ATOM 0 HG13 VAL A 3 9.819 -3.675 16.424 1.00 74.33 H new ATOM 0 HG21 VAL A 3 9.906 -3.196 19.478 1.00 74.40 H new ATOM 0 HG22 VAL A 3 9.251 -2.001 18.333 1.00 74.40 H new ATOM 0 HG23 VAL A 3 8.250 -2.579 19.686 1.00 74.40 H new ATOM 60 N TYR A 4 6.524 -4.385 15.126 1.00 12.24 N ATOM 61 CA TYR A 4 6.293 -5.404 14.093 1.00 25.44 C ATOM 62 C TYR A 4 7.468 -5.453 13.116 1.00 52.35 C ATOM 63 O TYR A 4 7.862 -4.436 12.548 1.00 74.34 O ATOM 64 CB TYR A 4 4.990 -5.140 13.327 1.00 50.24 C ATOM 65 CG TYR A 4 3.764 -5.684 14.023 1.00 3.45 C ATOM 66 CD1 TYR A 4 3.230 -5.053 15.139 1.00 62.03 C ATOM 67 CD2 TYR A 4 3.146 -6.837 13.560 1.00 64.41 C ATOM 68 CE1 TYR A 4 2.117 -5.561 15.777 1.00 2.33 C ATOM 69 CE2 TYR A 4 2.031 -7.348 14.189 1.00 53.24 C ATOM 70 CZ TYR A 4 1.518 -6.707 15.298 1.00 55.24 C ATOM 71 OH TYR A 4 0.413 -7.217 15.936 1.00 52.33 O ATOM 0 H TYR A 4 6.518 -3.427 14.775 1.00 12.24 H new ATOM 0 HA TYR A 4 6.205 -6.367 14.596 1.00 25.44 H new ATOM 0 HB2 TYR A 4 4.872 -4.066 13.185 1.00 50.24 H new ATOM 0 HB3 TYR A 4 5.064 -5.586 12.335 1.00 50.24 H new ATOM 0 HD1 TYR A 4 3.693 -4.152 15.513 1.00 62.03 H new ATOM 0 HD2 TYR A 4 3.545 -7.342 12.693 1.00 64.41 H new ATOM 0 HE1 TYR A 4 1.717 -5.063 16.648 1.00 2.33 H new ATOM 0 HE2 TYR A 4 1.561 -8.246 13.816 1.00 53.24 H new ATOM 0 HH TYR A 4 0.112 -8.026 15.472 1.00 52.33 H new ATOM 81 N LYS A 5 8.025 -6.642 12.930 1.00 74.23 N ATOM 82 CA LYS A 5 9.174 -6.835 12.044 1.00 31.31 C ATOM 83 C LYS A 5 8.776 -7.649 10.796 1.00 11.23 C ATOM 84 O LYS A 5 7.764 -8.354 10.812 1.00 12.41 O ATOM 85 CB LYS A 5 10.308 -7.518 12.831 1.00 62.43 C ATOM 86 CG LYS A 5 10.859 -6.649 13.966 1.00 62.11 C ATOM 87 CD LYS A 5 11.825 -7.398 14.891 1.00 72.04 C ATOM 88 CE LYS A 5 13.111 -7.839 14.189 1.00 63.21 C ATOM 89 NZ LYS A 5 12.912 -9.022 13.316 1.00 23.55 N ATOM 0 H LYS A 5 7.699 -7.496 13.383 1.00 74.23 H new ATOM 0 HA LYS A 5 9.528 -5.867 11.690 1.00 31.31 H new ATOM 0 HB2 LYS A 5 9.940 -8.457 13.246 1.00 62.43 H new ATOM 0 HB3 LYS A 5 11.118 -7.768 12.146 1.00 62.43 H new ATOM 0 HG2 LYS A 5 11.372 -5.787 13.538 1.00 62.11 H new ATOM 0 HG3 LYS A 5 10.027 -6.264 14.556 1.00 62.11 H new ATOM 0 HD2 LYS A 5 12.081 -6.757 15.735 1.00 72.04 H new ATOM 0 HD3 LYS A 5 11.322 -8.275 15.298 1.00 72.04 H new ATOM 0 HE2 LYS A 5 13.495 -7.012 13.591 1.00 63.21 H new ATOM 0 HE3 LYS A 5 13.868 -8.069 14.938 1.00 63.21 H new ATOM 0 HZ1 LYS A 5 13.710 -9.678 13.434 1.00 23.55 H new ATOM 0 HZ2 LYS A 5 12.027 -9.502 13.578 1.00 23.55 H new ATOM 0 HZ3 LYS A 5 12.859 -8.716 12.323 1.00 23.55 H new ATOM 103 N PRO A 6 9.557 -7.558 9.691 1.00 23.05 N ATOM 104 CA PRO A 6 9.216 -8.221 8.412 1.00 65.43 C ATOM 105 C PRO A 6 8.848 -9.708 8.562 1.00 63.42 C ATOM 106 O PRO A 6 7.915 -10.197 7.925 1.00 54.41 O ATOM 107 CB PRO A 6 10.501 -8.066 7.587 1.00 60.34 C ATOM 108 CG PRO A 6 11.132 -6.825 8.115 1.00 13.25 C ATOM 109 CD PRO A 6 10.830 -6.808 9.591 1.00 3.11 C ATOM 0 HA PRO A 6 8.331 -7.775 7.959 1.00 65.43 H new ATOM 0 HB2 PRO A 6 11.157 -8.928 7.708 1.00 60.34 H new ATOM 0 HB3 PRO A 6 10.282 -7.979 6.523 1.00 60.34 H new ATOM 0 HG2 PRO A 6 12.207 -6.826 7.936 1.00 13.25 H new ATOM 0 HG3 PRO A 6 10.728 -5.941 7.623 1.00 13.25 H new ATOM 0 HD2 PRO A 6 11.623 -7.284 10.169 1.00 3.11 H new ATOM 0 HD3 PRO A 6 10.727 -5.791 9.968 1.00 3.11 H new ATOM 117 N GLU A 7 9.581 -10.423 9.410 1.00 4.23 N ATOM 118 CA GLU A 7 9.340 -11.856 9.619 1.00 63.15 C ATOM 119 C GLU A 7 8.202 -12.120 10.625 1.00 4.54 C ATOM 120 O GLU A 7 7.796 -13.269 10.819 1.00 42.12 O ATOM 121 CB GLU A 7 10.630 -12.585 10.057 1.00 72.40 C ATOM 122 CG GLU A 7 11.368 -11.959 11.245 1.00 32.45 C ATOM 123 CD GLU A 7 12.225 -10.761 10.855 1.00 15.31 C ATOM 124 OE1 GLU A 7 13.362 -10.960 10.382 1.00 14.12 O ATOM 125 OE2 GLU A 7 11.767 -9.613 11.024 1.00 0.03 O ATOM 0 H GLU A 7 10.346 -10.039 9.965 1.00 4.23 H new ATOM 0 HA GLU A 7 9.024 -12.260 8.657 1.00 63.15 H new ATOM 0 HB2 GLU A 7 10.377 -13.615 10.310 1.00 72.40 H new ATOM 0 HB3 GLU A 7 11.312 -12.624 9.207 1.00 72.40 H new ATOM 0 HG2 GLU A 7 10.640 -11.648 11.994 1.00 32.45 H new ATOM 0 HG3 GLU A 7 12.001 -12.715 11.710 1.00 32.45 H new ATOM 132 N ASP A 8 7.677 -11.065 11.257 1.00 3.31 N ATOM 133 CA ASP A 8 6.531 -11.204 12.163 1.00 32.45 C ATOM 134 C ASP A 8 5.215 -11.048 11.385 1.00 60.04 C ATOM 135 O ASP A 8 4.190 -11.637 11.737 1.00 21.12 O ATOM 136 CB ASP A 8 6.612 -10.173 13.298 1.00 62.31 C ATOM 137 CG ASP A 8 5.476 -10.325 14.299 1.00 14.05 C ATOM 138 OD1 ASP A 8 5.415 -11.368 14.980 1.00 50.01 O ATOM 139 OD2 ASP A 8 4.628 -9.414 14.397 1.00 2.34 O ATOM 0 H ASP A 8 8.024 -10.111 11.159 1.00 3.31 H new ATOM 0 HA ASP A 8 6.557 -12.200 12.604 1.00 32.45 H new ATOM 0 HB2 ASP A 8 7.566 -10.280 13.815 1.00 62.31 H new ATOM 0 HB3 ASP A 8 6.589 -9.168 12.876 1.00 62.31 H new ATOM 144 N VAL A 9 5.260 -10.249 10.321 1.00 41.52 N ATOM 145 CA VAL A 9 4.107 -10.057 9.433 1.00 21.22 C ATOM 146 C VAL A 9 3.784 -11.355 8.665 1.00 60.41 C ATOM 147 O VAL A 9 4.683 -11.978 8.090 1.00 12.43 O ATOM 148 CB VAL A 9 4.378 -8.914 8.417 1.00 63.13 C ATOM 149 CG1 VAL A 9 3.161 -8.662 7.526 1.00 74.25 C ATOM 150 CG2 VAL A 9 4.798 -7.637 9.142 1.00 72.21 C ATOM 0 H VAL A 9 6.088 -9.719 10.048 1.00 41.52 H new ATOM 0 HA VAL A 9 3.253 -9.788 10.055 1.00 21.22 H new ATOM 0 HB VAL A 9 5.199 -9.227 7.772 1.00 63.13 H new ATOM 0 HG11 VAL A 9 3.383 -7.856 6.826 1.00 74.25 H new ATOM 0 HG12 VAL A 9 2.922 -9.569 6.971 1.00 74.25 H new ATOM 0 HG13 VAL A 9 2.309 -8.380 8.145 1.00 74.25 H new ATOM 0 HG21 VAL A 9 4.983 -6.849 8.412 1.00 72.21 H new ATOM 0 HG22 VAL A 9 4.003 -7.325 9.820 1.00 72.21 H new ATOM 0 HG23 VAL A 9 5.708 -7.825 9.712 1.00 72.21 H new ATOM 160 N PRO A 10 2.509 -11.800 8.656 1.00 13.13 N ATOM 161 CA PRO A 10 2.109 -13.022 7.940 1.00 4.32 C ATOM 162 C PRO A 10 2.313 -12.911 6.417 1.00 52.40 C ATOM 163 O PRO A 10 1.721 -12.058 5.758 1.00 71.31 O ATOM 164 CB PRO A 10 0.618 -13.179 8.285 1.00 43.24 C ATOM 165 CG PRO A 10 0.172 -11.814 8.689 1.00 34.22 C ATOM 166 CD PRO A 10 1.367 -11.160 9.335 1.00 32.40 C ATOM 0 HA PRO A 10 2.714 -13.879 8.237 1.00 4.32 H new ATOM 0 HB2 PRO A 10 0.050 -13.543 7.428 1.00 43.24 H new ATOM 0 HB3 PRO A 10 0.473 -13.897 9.092 1.00 43.24 H new ATOM 0 HG2 PRO A 10 -0.166 -11.242 7.825 1.00 34.22 H new ATOM 0 HG3 PRO A 10 -0.666 -11.867 9.383 1.00 34.22 H new ATOM 0 HD2 PRO A 10 1.364 -10.080 9.187 1.00 32.40 H new ATOM 0 HD3 PRO A 10 1.389 -11.334 10.411 1.00 32.40 H new ATOM 174 N ASN A 11 3.165 -13.779 5.873 1.00 63.03 N ATOM 175 CA ASN A 11 3.462 -13.798 4.433 1.00 31.25 C ATOM 176 C ASN A 11 2.210 -14.086 3.575 1.00 21.31 C ATOM 177 O ASN A 11 1.996 -15.212 3.115 1.00 64.04 O ATOM 178 CB ASN A 11 4.568 -14.826 4.143 1.00 14.23 C ATOM 179 CG ASN A 11 4.395 -16.105 4.946 1.00 43.41 C ATOM 180 OD1 ASN A 11 3.613 -17.030 4.437 1.00 32.40 O flip ATOM 181 ND2 ASN A 11 4.942 -16.248 6.033 1.00 44.51 N flip ATOM 0 H ASN A 11 3.668 -14.486 6.410 1.00 63.03 H new ATOM 0 HA ASN A 11 3.808 -12.803 4.155 1.00 31.25 H new ATOM 0 HB2 ASN A 11 4.568 -15.065 3.080 1.00 14.23 H new ATOM 0 HB3 ASN A 11 5.539 -14.386 4.371 1.00 14.23 H new ATOM 0 HD21 ASN A 11 5.544 -15.512 6.402 1.00 44.51 H new ATOM 0 HD22 ASN A 11 4.796 -17.103 6.569 1.00 44.51 H new ATOM 188 N VAL A 12 1.390 -13.054 3.359 1.00 11.25 N ATOM 189 CA VAL A 12 0.141 -13.197 2.599 1.00 73.14 C ATOM 190 C VAL A 12 0.379 -13.681 1.161 1.00 71.13 C ATOM 191 O VAL A 12 -0.306 -14.582 0.689 1.00 42.43 O ATOM 192 CB VAL A 12 -0.671 -11.873 2.571 1.00 70.45 C ATOM 193 CG1 VAL A 12 -1.101 -11.482 3.981 1.00 13.44 C ATOM 194 CG2 VAL A 12 0.125 -10.743 1.916 1.00 14.32 C ATOM 0 H VAL A 12 1.567 -12.109 3.699 1.00 11.25 H new ATOM 0 HA VAL A 12 -0.438 -13.958 3.123 1.00 73.14 H new ATOM 0 HB VAL A 12 -1.563 -12.040 1.968 1.00 70.45 H new ATOM 0 HG11 VAL A 12 -1.669 -10.552 3.944 1.00 13.44 H new ATOM 0 HG12 VAL A 12 -1.724 -12.271 4.403 1.00 13.44 H new ATOM 0 HG13 VAL A 12 -0.218 -11.343 4.605 1.00 13.44 H new ATOM 0 HG21 VAL A 12 -0.473 -9.831 1.913 1.00 14.32 H new ATOM 0 HG22 VAL A 12 1.044 -10.573 2.477 1.00 14.32 H new ATOM 0 HG23 VAL A 12 0.372 -11.019 0.891 1.00 14.32 H new ATOM 204 N GLN A 13 1.370 -13.110 0.478 1.00 14.02 N ATOM 205 CA GLN A 13 1.647 -13.468 -0.923 1.00 64.32 C ATOM 206 C GLN A 13 2.018 -14.955 -1.078 1.00 14.20 C ATOM 207 O GLN A 13 1.988 -15.502 -2.179 1.00 21.13 O ATOM 208 CB GLN A 13 2.753 -12.571 -1.492 1.00 40.04 C ATOM 209 CG GLN A 13 2.378 -11.090 -1.528 1.00 61.04 C ATOM 210 CD GLN A 13 1.120 -10.809 -2.343 1.00 13.34 C ATOM 211 OE1 GLN A 13 0.804 -11.513 -3.293 1.00 23.04 O ATOM 212 NE2 GLN A 13 0.393 -9.775 -1.976 1.00 12.52 N ATOM 0 H GLN A 13 1.994 -12.401 0.864 1.00 14.02 H new ATOM 0 HA GLN A 13 0.731 -13.306 -1.491 1.00 64.32 H new ATOM 0 HB2 GLN A 13 3.655 -12.695 -0.892 1.00 40.04 H new ATOM 0 HB3 GLN A 13 2.994 -12.901 -2.502 1.00 40.04 H new ATOM 0 HG2 GLN A 13 2.230 -10.734 -0.508 1.00 61.04 H new ATOM 0 HG3 GLN A 13 3.209 -10.521 -1.946 1.00 61.04 H new ATOM 0 HE21 GLN A 13 0.681 -9.206 -1.180 1.00 12.52 H new ATOM 0 HE22 GLN A 13 -0.458 -9.543 -2.488 1.00 12.52 H new ATOM 221 N LEU A 14 2.356 -15.604 0.033 1.00 72.34 N ATOM 222 CA LEU A 14 2.650 -17.039 0.036 1.00 13.22 C ATOM 223 C LEU A 14 1.354 -17.858 0.201 1.00 53.20 C ATOM 224 O LEU A 14 1.222 -18.953 -0.353 1.00 35.54 O ATOM 225 CB LEU A 14 3.662 -17.351 1.160 1.00 62.41 C ATOM 226 CG LEU A 14 4.188 -18.805 1.248 1.00 33.15 C ATOM 227 CD1 LEU A 14 5.543 -18.837 1.952 1.00 65.40 C ATOM 228 CD2 LEU A 14 3.201 -19.717 1.984 1.00 44.32 C ATOM 0 H LEU A 14 2.434 -15.159 0.948 1.00 72.34 H new ATOM 0 HA LEU A 14 3.093 -17.322 -0.919 1.00 13.22 H new ATOM 0 HB2 LEU A 14 4.518 -16.688 1.039 1.00 62.41 H new ATOM 0 HB3 LEU A 14 3.197 -17.100 2.114 1.00 62.41 H new ATOM 0 HG LEU A 14 4.299 -19.177 0.229 1.00 33.15 H new ATOM 0 HD11 LEU A 14 5.900 -19.865 2.007 1.00 65.40 H new ATOM 0 HD12 LEU A 14 6.258 -18.234 1.393 1.00 65.40 H new ATOM 0 HD13 LEU A 14 5.439 -18.435 2.960 1.00 65.40 H new ATOM 0 HD21 LEU A 14 3.603 -20.729 2.027 1.00 44.32 H new ATOM 0 HD22 LEU A 14 3.047 -19.345 2.997 1.00 44.32 H new ATOM 0 HD23 LEU A 14 2.249 -19.727 1.453 1.00 44.32 H new ATOM 240 N ALA A 15 0.394 -17.304 0.948 1.00 13.13 N ATOM 241 CA ALA A 15 -0.878 -17.990 1.234 1.00 22.35 C ATOM 242 C ALA A 15 -2.093 -17.138 0.820 1.00 32.13 C ATOM 243 O ALA A 15 -2.770 -17.439 -0.162 1.00 40.40 O ATOM 244 CB ALA A 15 -0.958 -18.345 2.717 1.00 2.31 C ATOM 0 H ALA A 15 0.471 -16.378 1.369 1.00 13.13 H new ATOM 0 HA ALA A 15 -0.904 -18.905 0.642 1.00 22.35 H new ATOM 0 HB1 ALA A 15 -1.902 -18.852 2.919 1.00 2.31 H new ATOM 0 HB2 ALA A 15 -0.129 -19.003 2.979 1.00 2.31 H new ATOM 0 HB3 ALA A 15 -0.900 -17.434 3.313 1.00 2.31 H new ATOM 250 N ASP A 16 -2.346 -16.053 1.560 1.00 24.31 N ATOM 251 CA ASP A 16 -3.500 -15.172 1.298 1.00 25.03 C ATOM 252 C ASP A 16 -3.261 -14.223 0.100 1.00 32.42 C ATOM 253 O ASP A 16 -3.742 -13.083 0.086 1.00 5.23 O ATOM 254 CB ASP A 16 -3.823 -14.358 2.556 1.00 55.33 C ATOM 255 CG ASP A 16 -4.199 -15.239 3.734 1.00 12.42 C ATOM 256 OD1 ASP A 16 -5.263 -15.887 3.680 1.00 61.32 O ATOM 257 OD2 ASP A 16 -3.440 -15.278 4.726 1.00 40.52 O ATOM 0 H ASP A 16 -1.768 -15.760 2.348 1.00 24.31 H new ATOM 0 HA ASP A 16 -4.345 -15.809 1.037 1.00 25.03 H new ATOM 0 HB2 ASP A 16 -2.960 -13.748 2.823 1.00 55.33 H new ATOM 0 HB3 ASP A 16 -4.643 -13.673 2.342 1.00 55.33 H new ATOM 262 N SER A 17 -2.562 -14.716 -0.925 1.00 33.41 N ATOM 263 CA SER A 17 -2.298 -13.938 -2.146 1.00 53.04 C ATOM 264 C SER A 17 -3.582 -13.736 -2.971 1.00 62.44 C ATOM 265 O SER A 17 -3.554 -13.155 -4.056 1.00 33.44 O ATOM 266 CB SER A 17 -1.234 -14.640 -3.006 1.00 53.53 C ATOM 267 OG SER A 17 -1.680 -15.916 -3.444 1.00 4.30 O ATOM 0 H SER A 17 -2.165 -15.656 -0.937 1.00 33.41 H new ATOM 0 HA SER A 17 -1.929 -12.959 -1.841 1.00 53.04 H new ATOM 0 HB2 SER A 17 -0.996 -14.020 -3.870 1.00 53.53 H new ATOM 0 HB3 SER A 17 -0.315 -14.752 -2.431 1.00 53.53 H new ATOM 0 HG SER A 17 -0.983 -16.337 -3.990 1.00 4.30 H new ATOM 273 N THR A 18 -4.702 -14.241 -2.458 1.00 72.34 N ATOM 274 CA THR A 18 -6.016 -14.034 -3.075 1.00 42.53 C ATOM 275 C THR A 18 -6.480 -12.580 -2.916 1.00 33.13 C ATOM 276 O THR A 18 -6.844 -11.921 -3.895 1.00 12.02 O ATOM 277 CB THR A 18 -7.081 -14.959 -2.445 1.00 33.20 C ATOM 278 OG1 THR A 18 -7.195 -14.684 -1.040 1.00 42.22 O ATOM 279 CG2 THR A 18 -6.725 -16.430 -2.649 1.00 70.32 C ATOM 0 H THR A 18 -4.728 -14.803 -1.607 1.00 72.34 H new ATOM 0 HA THR A 18 -5.907 -14.270 -4.134 1.00 42.53 H new ATOM 0 HB THR A 18 -8.033 -14.764 -2.938 1.00 33.20 H new ATOM 0 HG1 THR A 18 -7.873 -15.272 -0.646 1.00 42.22 H new ATOM 0 HG21 THR A 18 -7.493 -17.057 -2.195 1.00 70.32 H new ATOM 0 HG22 THR A 18 -6.665 -16.645 -3.716 1.00 70.32 H new ATOM 0 HG23 THR A 18 -5.763 -16.640 -2.182 1.00 70.32 H new ATOM 287 N ARG A 19 -6.469 -12.093 -1.671 1.00 12.14 N ATOM 288 CA ARG A 19 -6.842 -10.703 -1.366 1.00 1.10 C ATOM 289 C ARG A 19 -5.629 -9.756 -1.444 1.00 50.23 C ATOM 290 O ARG A 19 -5.784 -8.560 -1.672 1.00 33.53 O ATOM 291 CB ARG A 19 -7.478 -10.611 0.034 1.00 31.22 C ATOM 292 CG ARG A 19 -6.524 -10.961 1.174 1.00 4.42 C ATOM 293 CD ARG A 19 -7.146 -10.711 2.549 1.00 10.03 C ATOM 294 NE ARG A 19 -6.179 -10.924 3.626 1.00 40.41 N ATOM 295 CZ ARG A 19 -6.240 -10.365 4.810 1.00 4.24 C ATOM 296 NH1 ARG A 19 -7.219 -9.582 5.145 1.00 55.32 N ATOM 297 NH2 ARG A 19 -5.307 -10.592 5.669 1.00 1.21 N ATOM 0 H ARG A 19 -6.205 -12.642 -0.853 1.00 12.14 H new ATOM 0 HA ARG A 19 -7.567 -10.391 -2.118 1.00 1.10 H new ATOM 0 HB2 ARG A 19 -7.853 -9.599 0.186 1.00 31.22 H new ATOM 0 HB3 ARG A 19 -8.338 -11.279 0.076 1.00 31.22 H new ATOM 0 HG2 ARG A 19 -6.234 -12.009 1.094 1.00 4.42 H new ATOM 0 HG3 ARG A 19 -5.613 -10.370 1.077 1.00 4.42 H new ATOM 0 HD2 ARG A 19 -7.525 -9.690 2.597 1.00 10.03 H new ATOM 0 HD3 ARG A 19 -7.999 -11.375 2.689 1.00 10.03 H new ATOM 0 HE ARG A 19 -5.399 -11.555 3.442 1.00 40.41 H new ATOM 0 HH11 ARG A 19 -7.967 -9.388 4.480 1.00 55.32 H new ATOM 0 HH12 ARG A 19 -7.240 -9.161 6.074 1.00 55.32 H new ATOM 0 HH21 ARG A 19 -4.528 -11.203 5.426 1.00 1.21 H new ATOM 0 HH22 ARG A 19 -5.348 -10.160 6.592 1.00 1.21 H new ATOM 311 N LEU A 20 -4.426 -10.306 -1.232 1.00 31.33 N ATOM 312 CA LEU A 20 -3.161 -9.539 -1.282 1.00 33.34 C ATOM 313 C LEU A 20 -3.041 -8.496 -0.145 1.00 63.14 C ATOM 314 O LEU A 20 -2.060 -7.752 -0.078 1.00 73.13 O ATOM 315 CB LEU A 20 -2.967 -8.845 -2.648 1.00 5.25 C ATOM 316 CG LEU A 20 -2.862 -9.777 -3.877 1.00 63.04 C ATOM 317 CD1 LEU A 20 -4.240 -10.164 -4.406 1.00 13.42 C ATOM 318 CD2 LEU A 20 -2.028 -9.133 -4.981 1.00 63.03 C ATOM 0 H LEU A 20 -4.296 -11.295 -1.020 1.00 31.33 H new ATOM 0 HA LEU A 20 -2.369 -10.275 -1.141 1.00 33.34 H new ATOM 0 HB2 LEU A 20 -3.801 -8.161 -2.807 1.00 5.25 H new ATOM 0 HB3 LEU A 20 -2.062 -8.239 -2.599 1.00 5.25 H new ATOM 0 HG LEU A 20 -2.360 -10.688 -3.552 1.00 63.04 H new ATOM 0 HD11 LEU A 20 -4.127 -10.819 -5.270 1.00 13.42 H new ATOM 0 HD12 LEU A 20 -4.796 -10.684 -3.626 1.00 13.42 H new ATOM 0 HD13 LEU A 20 -4.782 -9.265 -4.701 1.00 13.42 H new ATOM 0 HD21 LEU A 20 -1.970 -9.809 -5.834 1.00 63.03 H new ATOM 0 HD22 LEU A 20 -2.494 -8.198 -5.290 1.00 63.03 H new ATOM 0 HD23 LEU A 20 -1.024 -8.932 -4.608 1.00 63.03 H new ATOM 330 N VAL A 21 -4.028 -8.458 0.751 1.00 55.30 N ATOM 331 CA VAL A 21 -4.044 -7.502 1.870 1.00 21.14 C ATOM 332 C VAL A 21 -3.564 -8.155 3.182 1.00 24.45 C ATOM 333 O VAL A 21 -3.723 -9.361 3.379 1.00 22.43 O ATOM 334 CB VAL A 21 -5.472 -6.928 2.075 1.00 55.44 C ATOM 335 CG1 VAL A 21 -5.515 -5.913 3.217 1.00 54.13 C ATOM 336 CG2 VAL A 21 -5.987 -6.303 0.781 1.00 23.32 C ATOM 0 H VAL A 21 -4.835 -9.082 0.727 1.00 55.30 H new ATOM 0 HA VAL A 21 -3.358 -6.695 1.614 1.00 21.14 H new ATOM 0 HB VAL A 21 -6.125 -7.757 2.349 1.00 55.44 H new ATOM 0 HG11 VAL A 21 -6.531 -5.534 3.329 1.00 54.13 H new ATOM 0 HG12 VAL A 21 -5.203 -6.395 4.144 1.00 54.13 H new ATOM 0 HG13 VAL A 21 -4.842 -5.085 2.994 1.00 54.13 H new ATOM 0 HG21 VAL A 21 -6.989 -5.906 0.943 1.00 23.32 H new ATOM 0 HG22 VAL A 21 -5.321 -5.495 0.477 1.00 23.32 H new ATOM 0 HG23 VAL A 21 -6.019 -7.061 -0.002 1.00 23.32 H new ATOM 346 N THR A 22 -2.979 -7.348 4.072 1.00 43.30 N ATOM 347 CA THR A 22 -2.489 -7.831 5.378 1.00 65.32 C ATOM 348 C THR A 22 -2.948 -6.887 6.508 1.00 73.55 C ATOM 349 O THR A 22 -2.640 -5.690 6.493 1.00 45.00 O ATOM 350 CB THR A 22 -0.941 -7.928 5.395 1.00 13.12 C ATOM 351 OG1 THR A 22 -0.461 -8.387 4.120 1.00 31.21 O ATOM 352 CG2 THR A 22 -0.463 -8.885 6.480 1.00 41.53 C ATOM 0 H THR A 22 -2.830 -6.351 3.916 1.00 43.30 H new ATOM 0 HA THR A 22 -2.907 -8.825 5.538 1.00 65.32 H new ATOM 0 HB THR A 22 -0.547 -6.933 5.604 1.00 13.12 H new ATOM 0 HG1 THR A 22 0.373 -8.887 4.245 1.00 31.21 H new ATOM 0 HG21 THR A 22 0.626 -8.933 6.469 1.00 41.53 H new ATOM 0 HG22 THR A 22 -0.800 -8.529 7.453 1.00 41.53 H new ATOM 0 HG23 THR A 22 -0.872 -9.878 6.295 1.00 41.53 H new ATOM 360 N ASP A 23 -3.682 -7.420 7.488 1.00 72.24 N ATOM 361 CA ASP A 23 -4.300 -6.588 8.533 1.00 1.52 C ATOM 362 C ASP A 23 -3.798 -6.927 9.956 1.00 11.11 C ATOM 363 O ASP A 23 -4.279 -7.862 10.601 1.00 74.33 O ATOM 364 CB ASP A 23 -5.833 -6.709 8.450 1.00 21.33 C ATOM 365 CG ASP A 23 -6.326 -8.145 8.579 1.00 4.43 C ATOM 366 OD1 ASP A 23 -6.036 -8.965 7.683 1.00 44.31 O ATOM 367 OD2 ASP A 23 -7.011 -8.461 9.575 1.00 32.34 O ATOM 0 H ASP A 23 -3.865 -8.419 7.583 1.00 72.24 H new ATOM 0 HA ASP A 23 -4.000 -5.557 8.346 1.00 1.52 H new ATOM 0 HB2 ASP A 23 -6.283 -6.104 9.238 1.00 21.33 H new ATOM 0 HB3 ASP A 23 -6.173 -6.298 7.499 1.00 21.33 H new ATOM 372 N GLU A 24 -2.804 -6.169 10.427 1.00 41.12 N ATOM 373 CA GLU A 24 -2.340 -6.255 11.823 1.00 2.15 C ATOM 374 C GLU A 24 -2.894 -5.085 12.648 1.00 61.32 C ATOM 375 O GLU A 24 -3.495 -5.277 13.704 1.00 70.41 O ATOM 376 CB GLU A 24 -0.803 -6.248 11.894 1.00 3.04 C ATOM 377 CG GLU A 24 -0.134 -7.522 11.387 1.00 40.11 C ATOM 378 CD GLU A 24 -0.559 -7.903 9.980 1.00 14.13 C ATOM 379 OE1 GLU A 24 -0.350 -7.092 9.054 1.00 4.32 O ATOM 380 OE2 GLU A 24 -1.106 -9.016 9.804 1.00 34.14 O ATOM 0 H GLU A 24 -2.300 -5.485 9.863 1.00 41.12 H new ATOM 0 HA GLU A 24 -2.708 -7.194 12.237 1.00 2.15 H new ATOM 0 HB2 GLU A 24 -0.430 -5.403 11.315 1.00 3.04 H new ATOM 0 HB3 GLU A 24 -0.502 -6.083 12.928 1.00 3.04 H new ATOM 0 HG2 GLU A 24 0.948 -7.390 11.409 1.00 40.11 H new ATOM 0 HG3 GLU A 24 -0.369 -8.342 12.065 1.00 40.11 H new ATOM 387 N ALA A 25 -2.674 -3.864 12.155 1.00 15.43 N ATOM 388 CA ALA A 25 -3.197 -2.655 12.805 1.00 23.52 C ATOM 389 C ALA A 25 -4.729 -2.688 12.929 1.00 33.25 C ATOM 390 O ALA A 25 -5.304 -2.086 13.838 1.00 11.24 O ATOM 391 CB ALA A 25 -2.762 -1.416 12.030 1.00 34.33 C ATOM 0 H ALA A 25 -2.137 -3.684 11.307 1.00 15.43 H new ATOM 0 HA ALA A 25 -2.785 -2.618 13.814 1.00 23.52 H new ATOM 0 HB1 ALA A 25 -3.154 -0.524 12.519 1.00 34.33 H new ATOM 0 HB2 ALA A 25 -1.673 -1.366 12.004 1.00 34.33 H new ATOM 0 HB3 ALA A 25 -3.147 -1.470 11.012 1.00 34.33 H new ATOM 397 N GLY A 26 -5.381 -3.394 12.004 1.00 23.32 N ATOM 398 CA GLY A 26 -6.838 -3.503 12.015 1.00 50.53 C ATOM 399 C GLY A 26 -7.552 -2.183 11.749 1.00 44.33 C ATOM 400 O GLY A 26 -8.647 -1.946 12.259 1.00 35.23 O ATOM 0 H GLY A 26 -4.925 -3.896 11.242 1.00 23.32 H new ATOM 0 HA2 GLY A 26 -7.145 -4.230 11.263 1.00 50.53 H new ATOM 0 HA3 GLY A 26 -7.157 -3.890 12.982 1.00 50.53 H new ATOM 404 N LEU A 27 -6.931 -1.320 10.952 1.00 65.22 N ATOM 405 CA LEU A 27 -7.528 -0.030 10.585 1.00 35.33 C ATOM 406 C LEU A 27 -8.585 -0.200 9.481 1.00 20.32 C ATOM 407 O LEU A 27 -9.494 0.620 9.341 1.00 40.40 O ATOM 408 CB LEU A 27 -6.424 0.931 10.124 1.00 33.32 C ATOM 409 CG LEU A 27 -5.369 1.264 11.193 1.00 4.55 C ATOM 410 CD1 LEU A 27 -4.222 2.076 10.600 1.00 31.40 C ATOM 411 CD2 LEU A 27 -6.006 2.013 12.362 1.00 44.03 C ATOM 0 H LEU A 27 -6.011 -1.487 10.544 1.00 65.22 H new ATOM 0 HA LEU A 27 -8.028 0.384 11.461 1.00 35.33 H new ATOM 0 HB2 LEU A 27 -5.921 0.496 9.260 1.00 33.32 H new ATOM 0 HB3 LEU A 27 -6.887 1.859 9.789 1.00 33.32 H new ATOM 0 HG LEU A 27 -4.960 0.324 11.564 1.00 4.55 H new ATOM 0 HD11 LEU A 27 -3.492 2.297 11.379 1.00 31.40 H new ATOM 0 HD12 LEU A 27 -3.744 1.503 9.805 1.00 31.40 H new ATOM 0 HD13 LEU A 27 -4.610 3.009 10.192 1.00 31.40 H new ATOM 0 HD21 LEU A 27 -5.244 2.240 13.108 1.00 44.03 H new ATOM 0 HD22 LEU A 27 -6.448 2.942 12.001 1.00 44.03 H new ATOM 0 HD23 LEU A 27 -6.781 1.393 12.812 1.00 44.03 H new ATOM 423 N LEU A 28 -8.463 -1.282 8.715 1.00 52.12 N ATOM 424 CA LEU A 28 -9.379 -1.564 7.604 1.00 61.44 C ATOM 425 C LEU A 28 -10.691 -2.197 8.096 1.00 32.54 C ATOM 426 O LEU A 28 -10.691 -3.300 8.648 1.00 42.44 O ATOM 427 CB LEU A 28 -8.706 -2.507 6.595 1.00 75.54 C ATOM 428 CG LEU A 28 -7.408 -1.979 5.958 1.00 72.23 C ATOM 429 CD1 LEU A 28 -6.749 -3.059 5.105 1.00 23.14 C ATOM 430 CD2 LEU A 28 -7.687 -0.731 5.124 1.00 51.12 C ATOM 0 H LEU A 28 -7.734 -1.984 8.842 1.00 52.12 H new ATOM 0 HA LEU A 28 -9.617 -0.614 7.125 1.00 61.44 H new ATOM 0 HB2 LEU A 28 -8.487 -3.450 7.096 1.00 75.54 H new ATOM 0 HB3 LEU A 28 -9.418 -2.727 5.799 1.00 75.54 H new ATOM 0 HG LEU A 28 -6.720 -1.709 6.759 1.00 72.23 H new ATOM 0 HD11 LEU A 28 -5.833 -2.666 4.664 1.00 23.14 H new ATOM 0 HD12 LEU A 28 -6.510 -3.920 5.729 1.00 23.14 H new ATOM 0 HD13 LEU A 28 -7.432 -3.364 4.312 1.00 23.14 H new ATOM 0 HD21 LEU A 28 -6.757 -0.373 4.682 1.00 51.12 H new ATOM 0 HD22 LEU A 28 -8.395 -0.974 4.332 1.00 51.12 H new ATOM 0 HD23 LEU A 28 -8.108 0.046 5.762 1.00 51.12 H new ATOM 442 N SER A 29 -11.805 -1.497 7.900 1.00 0.34 N ATOM 443 CA SER A 29 -13.131 -2.060 8.195 1.00 62.12 C ATOM 444 C SER A 29 -13.482 -3.151 7.173 1.00 23.03 C ATOM 445 O SER A 29 -12.981 -3.131 6.050 1.00 23.01 O ATOM 446 CB SER A 29 -14.203 -0.961 8.176 1.00 12.22 C ATOM 447 OG SER A 29 -15.484 -1.483 8.493 1.00 14.11 O ATOM 0 H SER A 29 -11.823 -0.543 7.540 1.00 0.34 H new ATOM 0 HA SER A 29 -13.103 -2.500 9.192 1.00 62.12 H new ATOM 0 HB2 SER A 29 -13.939 -0.181 8.890 1.00 12.22 H new ATOM 0 HB3 SER A 29 -14.232 -0.495 7.191 1.00 12.22 H new ATOM 0 HG SER A 29 -16.145 -0.760 8.475 1.00 14.11 H new ATOM 453 N ASN A 30 -14.349 -4.092 7.548 1.00 41.50 N ATOM 454 CA ASN A 30 -14.666 -5.235 6.677 1.00 43.25 C ATOM 455 C ASN A 30 -15.237 -4.782 5.319 1.00 52.41 C ATOM 456 O ASN A 30 -15.014 -5.432 4.294 1.00 1.31 O ATOM 457 CB ASN A 30 -15.634 -6.189 7.380 1.00 12.41 C ATOM 458 CG ASN A 30 -15.088 -6.654 8.719 1.00 72.02 C ATOM 459 OD1 ASN A 30 -15.386 -6.080 9.757 1.00 71.10 O ATOM 460 ND2 ASN A 30 -14.257 -7.678 8.705 1.00 41.41 N ATOM 0 H ASN A 30 -14.843 -4.090 8.440 1.00 41.50 H new ATOM 0 HA ASN A 30 -13.734 -5.764 6.476 1.00 43.25 H new ATOM 0 HB2 ASN A 30 -16.592 -5.691 7.530 1.00 12.41 H new ATOM 0 HB3 ASN A 30 -15.821 -7.053 6.743 1.00 12.41 H new ATOM 0 HD21 ASN A 30 -13.844 -8.011 9.576 1.00 41.41 H new ATOM 0 HD22 ASN A 30 -14.028 -8.137 7.823 1.00 41.41 H new ATOM 467 N ALA A 31 -15.971 -3.669 5.318 1.00 13.22 N ATOM 468 CA ALA A 31 -16.429 -3.043 4.070 1.00 33.21 C ATOM 469 C ALA A 31 -15.236 -2.558 3.234 1.00 34.23 C ATOM 470 O ALA A 31 -15.152 -2.811 2.031 1.00 14.22 O ATOM 471 CB ALA A 31 -17.366 -1.878 4.371 1.00 12.10 C ATOM 0 H ALA A 31 -16.263 -3.180 6.164 1.00 13.22 H new ATOM 0 HA ALA A 31 -16.973 -3.792 3.494 1.00 33.21 H new ATOM 0 HB1 ALA A 31 -17.696 -1.425 3.436 1.00 12.10 H new ATOM 0 HB2 ALA A 31 -18.232 -2.241 4.924 1.00 12.10 H new ATOM 0 HB3 ALA A 31 -16.840 -1.133 4.969 1.00 12.10 H new ATOM 477 N GLN A 32 -14.303 -1.872 3.894 1.00 14.24 N ATOM 478 CA GLN A 32 -13.097 -1.367 3.235 1.00 34.53 C ATOM 479 C GLN A 32 -12.256 -2.507 2.648 1.00 24.22 C ATOM 480 O GLN A 32 -11.691 -2.367 1.565 1.00 11.34 O ATOM 481 CB GLN A 32 -12.264 -0.533 4.215 1.00 4.43 C ATOM 482 CG GLN A 32 -12.904 0.808 4.557 1.00 43.33 C ATOM 483 CD GLN A 32 -12.115 1.600 5.583 1.00 55.43 C ATOM 484 OE1 GLN A 32 -11.496 1.039 6.483 1.00 20.24 O ATOM 485 NE2 GLN A 32 -12.112 2.909 5.440 1.00 30.54 N ATOM 0 H GLN A 32 -14.359 -1.652 4.888 1.00 14.24 H new ATOM 0 HA GLN A 32 -13.411 -0.730 2.408 1.00 34.53 H new ATOM 0 HB2 GLN A 32 -12.117 -1.102 5.133 1.00 4.43 H new ATOM 0 HB3 GLN A 32 -11.277 -0.359 3.786 1.00 4.43 H new ATOM 0 HG2 GLN A 32 -13.002 1.400 3.647 1.00 43.33 H new ATOM 0 HG3 GLN A 32 -13.912 0.637 4.936 1.00 43.33 H new ATOM 0 HE21 GLN A 32 -12.638 3.340 4.680 1.00 30.54 H new ATOM 0 HE22 GLN A 32 -11.583 3.492 6.089 1.00 30.54 H new ATOM 494 N GLU A 33 -12.175 -3.634 3.357 1.00 60.53 N ATOM 495 CA GLU A 33 -11.533 -4.830 2.803 1.00 10.03 C ATOM 496 C GLU A 33 -12.307 -5.348 1.584 1.00 22.42 C ATOM 497 O GLU A 33 -11.727 -5.581 0.529 1.00 3.40 O ATOM 498 CB GLU A 33 -11.404 -5.954 3.849 1.00 43.32 C ATOM 499 CG GLU A 33 -10.211 -5.798 4.792 1.00 1.45 C ATOM 500 CD GLU A 33 -9.865 -7.094 5.518 1.00 45.34 C ATOM 501 OE1 GLU A 33 -9.389 -8.044 4.849 1.00 33.03 O ATOM 502 OE2 GLU A 33 -10.064 -7.166 6.752 1.00 72.15 O ATOM 0 H GLU A 33 -12.540 -3.745 4.303 1.00 60.53 H new ATOM 0 HA GLU A 33 -10.529 -4.536 2.497 1.00 10.03 H new ATOM 0 HB2 GLU A 33 -12.318 -5.991 4.441 1.00 43.32 H new ATOM 0 HB3 GLU A 33 -11.321 -6.909 3.331 1.00 43.32 H new ATOM 0 HG2 GLU A 33 -9.344 -5.462 4.223 1.00 1.45 H new ATOM 0 HG3 GLU A 33 -10.431 -5.022 5.526 1.00 1.45 H new ATOM 509 N GLU A 34 -13.622 -5.492 1.719 1.00 11.14 N ATOM 510 CA GLU A 34 -14.455 -6.022 0.632 1.00 24.32 C ATOM 511 C GLU A 34 -14.207 -5.255 -0.681 1.00 14.45 C ATOM 512 O GLU A 34 -14.242 -5.826 -1.777 1.00 3.41 O ATOM 513 CB GLU A 34 -15.939 -5.940 1.022 1.00 74.51 C ATOM 514 CG GLU A 34 -16.854 -6.814 0.172 1.00 13.43 C ATOM 515 CD GLU A 34 -16.524 -8.295 0.300 1.00 33.11 C ATOM 516 OE1 GLU A 34 -16.659 -8.845 1.414 1.00 2.05 O ATOM 517 OE2 GLU A 34 -16.112 -8.913 -0.704 1.00 64.13 O ATOM 0 H GLU A 34 -14.137 -5.251 2.566 1.00 11.14 H new ATOM 0 HA GLU A 34 -14.183 -7.065 0.470 1.00 24.32 H new ATOM 0 HB2 GLU A 34 -16.046 -6.230 2.067 1.00 74.51 H new ATOM 0 HB3 GLU A 34 -16.268 -4.904 0.943 1.00 74.51 H new ATOM 0 HG2 GLU A 34 -17.890 -6.648 0.469 1.00 13.43 H new ATOM 0 HG3 GLU A 34 -16.770 -6.515 -0.873 1.00 13.43 H new ATOM 524 N VAL A 35 -13.945 -3.954 -0.550 1.00 2.14 N ATOM 525 CA VAL A 35 -13.603 -3.105 -1.695 1.00 2.44 C ATOM 526 C VAL A 35 -12.106 -3.214 -2.065 1.00 15.32 C ATOM 527 O VAL A 35 -11.763 -3.483 -3.215 1.00 4.42 O ATOM 528 CB VAL A 35 -13.954 -1.620 -1.414 1.00 34.25 C ATOM 529 CG1 VAL A 35 -13.682 -0.751 -2.642 1.00 63.02 C ATOM 530 CG2 VAL A 35 -15.409 -1.488 -0.967 1.00 11.12 C ATOM 0 H VAL A 35 -13.963 -3.461 0.343 1.00 2.14 H new ATOM 0 HA VAL A 35 -14.196 -3.463 -2.537 1.00 2.44 H new ATOM 0 HB VAL A 35 -13.314 -1.267 -0.606 1.00 34.25 H new ATOM 0 HG11 VAL A 35 -13.936 0.285 -2.418 1.00 63.02 H new ATOM 0 HG12 VAL A 35 -12.627 -0.816 -2.907 1.00 63.02 H new ATOM 0 HG13 VAL A 35 -14.289 -1.101 -3.477 1.00 63.02 H new ATOM 0 HG21 VAL A 35 -15.637 -0.440 -0.775 1.00 11.12 H new ATOM 0 HG22 VAL A 35 -16.066 -1.864 -1.751 1.00 11.12 H new ATOM 0 HG23 VAL A 35 -15.564 -2.066 -0.056 1.00 11.12 H new ATOM 540 N MET A 36 -11.218 -3.016 -1.085 1.00 23.11 N ATOM 541 CA MET A 36 -9.764 -3.008 -1.333 1.00 23.13 C ATOM 542 C MET A 36 -9.253 -4.391 -1.772 1.00 31.25 C ATOM 543 O MET A 36 -8.569 -4.513 -2.788 1.00 5.44 O ATOM 544 CB MET A 36 -9.010 -2.538 -0.076 1.00 45.24 C ATOM 545 CG MET A 36 -7.498 -2.429 -0.259 1.00 31.45 C ATOM 546 SD MET A 36 -6.654 -1.826 1.219 1.00 55.14 S ATOM 547 CE MET A 36 -7.428 -0.227 1.432 1.00 23.24 C ATOM 0 H MET A 36 -11.476 -2.859 -0.111 1.00 23.11 H new ATOM 0 HA MET A 36 -9.573 -2.310 -2.148 1.00 23.13 H new ATOM 0 HB2 MET A 36 -9.399 -1.566 0.226 1.00 45.24 H new ATOM 0 HB3 MET A 36 -9.217 -3.231 0.739 1.00 45.24 H new ATOM 0 HG2 MET A 36 -7.098 -3.407 -0.526 1.00 31.45 H new ATOM 0 HG3 MET A 36 -7.285 -1.759 -1.092 1.00 31.45 H new ATOM 0 HE1 MET A 36 -6.729 0.454 1.918 1.00 23.24 H new ATOM 0 HE2 MET A 36 -7.707 0.175 0.458 1.00 23.24 H new ATOM 0 HE3 MET A 36 -8.320 -0.334 2.050 1.00 23.24 H new ATOM 557 N ASN A 37 -9.589 -5.423 -0.997 1.00 4.23 N ATOM 558 CA ASN A 37 -9.284 -6.813 -1.359 1.00 72.41 C ATOM 559 C ASN A 37 -9.806 -7.123 -2.768 1.00 12.21 C ATOM 560 O ASN A 37 -9.124 -7.757 -3.574 1.00 43.11 O ATOM 561 CB ASN A 37 -9.928 -7.777 -0.351 1.00 13.44 C ATOM 562 CG ASN A 37 -9.494 -7.516 1.082 1.00 35.34 C ATOM 563 OD1 ASN A 37 -9.069 -6.422 1.431 1.00 61.11 O ATOM 564 ND2 ASN A 37 -9.634 -8.511 1.933 1.00 13.43 N ATOM 0 H ASN A 37 -10.077 -5.323 -0.107 1.00 4.23 H new ATOM 0 HA ASN A 37 -8.202 -6.944 -1.341 1.00 72.41 H new ATOM 0 HB2 ASN A 37 -11.013 -7.692 -0.417 1.00 13.44 H new ATOM 0 HB3 ASN A 37 -9.672 -8.801 -0.622 1.00 13.44 H new ATOM 0 HD21 ASN A 37 -9.386 -8.382 2.914 1.00 13.43 H new ATOM 0 HD22 ASN A 37 -9.991 -9.411 1.611 1.00 13.43 H new ATOM 571 N GLY A 38 -11.025 -6.660 -3.051 1.00 31.40 N ATOM 572 CA GLY A 38 -11.605 -6.813 -4.378 1.00 11.01 C ATOM 573 C GLY A 38 -10.793 -6.110 -5.460 1.00 40.01 C ATOM 574 O GLY A 38 -10.568 -6.670 -6.532 1.00 44.43 O ATOM 0 H GLY A 38 -11.624 -6.179 -2.380 1.00 31.40 H new ATOM 0 HA2 GLY A 38 -11.680 -7.874 -4.617 1.00 11.01 H new ATOM 0 HA3 GLY A 38 -12.620 -6.415 -4.375 1.00 11.01 H new ATOM 578 N ARG A 39 -10.345 -4.885 -5.171 1.00 42.33 N ATOM 579 CA ARG A 39 -9.503 -4.123 -6.103 1.00 53.53 C ATOM 580 C ARG A 39 -8.219 -4.897 -6.448 1.00 31.21 C ATOM 581 O ARG A 39 -7.932 -5.146 -7.618 1.00 51.42 O ATOM 582 CB ARG A 39 -9.138 -2.750 -5.507 1.00 43.00 C ATOM 583 CG ARG A 39 -10.316 -1.784 -5.367 1.00 41.40 C ATOM 584 CD ARG A 39 -9.885 -0.455 -4.744 1.00 24.55 C ATOM 585 NE ARG A 39 -11.004 0.480 -4.584 1.00 42.13 N ATOM 586 CZ ARG A 39 -11.046 1.441 -3.691 1.00 4.41 C ATOM 587 NH1 ARG A 39 -10.055 1.633 -2.878 1.00 55.14 N ATOM 588 NH2 ARG A 39 -12.079 2.214 -3.617 1.00 34.14 N ATOM 0 H ARG A 39 -10.551 -4.398 -4.299 1.00 42.33 H new ATOM 0 HA ARG A 39 -10.075 -3.973 -7.018 1.00 53.53 H new ATOM 0 HB2 ARG A 39 -8.691 -2.902 -4.525 1.00 43.00 H new ATOM 0 HB3 ARG A 39 -8.377 -2.286 -6.135 1.00 43.00 H new ATOM 0 HG2 ARG A 39 -10.755 -1.601 -6.348 1.00 41.40 H new ATOM 0 HG3 ARG A 39 -11.090 -2.241 -4.751 1.00 41.40 H new ATOM 0 HD2 ARG A 39 -9.432 -0.644 -3.771 1.00 24.55 H new ATOM 0 HD3 ARG A 39 -9.119 0.004 -5.369 1.00 24.55 H new ATOM 0 HE ARG A 39 -11.803 0.376 -5.209 1.00 42.13 H new ATOM 0 HH11 ARG A 39 -9.231 1.034 -2.928 1.00 55.14 H new ATOM 0 HH12 ARG A 39 -10.099 2.383 -2.188 1.00 55.14 H new ATOM 0 HH21 ARG A 39 -12.864 2.078 -4.254 1.00 34.14 H new ATOM 0 HH22 ARG A 39 -12.109 2.960 -2.922 1.00 34.14 H new ATOM 602 N LEU A 40 -7.465 -5.292 -5.421 1.00 64.02 N ATOM 603 CA LEU A 40 -6.201 -6.021 -5.618 1.00 2.53 C ATOM 604 C LEU A 40 -6.432 -7.365 -6.322 1.00 43.33 C ATOM 605 O LEU A 40 -5.709 -7.730 -7.252 1.00 51.55 O ATOM 606 CB LEU A 40 -5.496 -6.252 -4.276 1.00 71.13 C ATOM 607 CG LEU A 40 -5.200 -4.983 -3.460 1.00 33.30 C ATOM 608 CD1 LEU A 40 -4.402 -5.323 -2.207 1.00 63.11 C ATOM 609 CD2 LEU A 40 -4.459 -3.953 -4.309 1.00 43.23 C ATOM 0 H LEU A 40 -7.703 -5.122 -4.444 1.00 64.02 H new ATOM 0 HA LEU A 40 -5.565 -5.406 -6.255 1.00 2.53 H new ATOM 0 HB2 LEU A 40 -6.112 -6.917 -3.671 1.00 71.13 H new ATOM 0 HB3 LEU A 40 -4.556 -6.771 -4.463 1.00 71.13 H new ATOM 0 HG LEU A 40 -6.151 -4.548 -3.152 1.00 33.30 H new ATOM 0 HD11 LEU A 40 -4.203 -4.411 -1.644 1.00 63.11 H new ATOM 0 HD12 LEU A 40 -4.974 -6.014 -1.588 1.00 63.11 H new ATOM 0 HD13 LEU A 40 -3.458 -5.787 -2.492 1.00 63.11 H new ATOM 0 HD21 LEU A 40 -4.260 -3.064 -3.711 1.00 43.23 H new ATOM 0 HD22 LEU A 40 -3.516 -4.377 -4.654 1.00 43.23 H new ATOM 0 HD23 LEU A 40 -5.071 -3.682 -5.169 1.00 43.23 H new ATOM 621 N ARG A 41 -7.445 -8.097 -5.868 1.00 42.23 N ATOM 622 CA ARG A 41 -7.823 -9.370 -6.483 1.00 54.41 C ATOM 623 C ARG A 41 -8.213 -9.178 -7.960 1.00 63.52 C ATOM 624 O ARG A 41 -7.848 -9.980 -8.822 1.00 33.15 O ATOM 625 CB ARG A 41 -8.976 -10.003 -5.690 1.00 55.41 C ATOM 626 CG ARG A 41 -9.464 -11.333 -6.248 1.00 2.05 C ATOM 627 CD ARG A 41 -10.438 -12.026 -5.296 1.00 4.05 C ATOM 628 NE ARG A 41 -11.608 -11.204 -4.980 1.00 31.43 N ATOM 629 CZ ARG A 41 -12.565 -11.582 -4.170 1.00 75.51 C ATOM 630 NH1 ARG A 41 -12.545 -12.764 -3.633 1.00 73.54 N ATOM 631 NH2 ARG A 41 -13.550 -10.780 -3.909 1.00 2.35 N ATOM 0 H ARG A 41 -8.023 -7.830 -5.071 1.00 42.23 H new ATOM 0 HA ARG A 41 -6.964 -10.041 -6.457 1.00 54.41 H new ATOM 0 HB2 ARG A 41 -8.654 -10.151 -4.659 1.00 55.41 H new ATOM 0 HB3 ARG A 41 -9.812 -9.304 -5.666 1.00 55.41 H new ATOM 0 HG2 ARG A 41 -9.951 -11.167 -7.209 1.00 2.05 H new ATOM 0 HG3 ARG A 41 -8.610 -11.985 -6.432 1.00 2.05 H new ATOM 0 HD2 ARG A 41 -10.769 -12.964 -5.742 1.00 4.05 H new ATOM 0 HD3 ARG A 41 -9.918 -12.279 -4.372 1.00 4.05 H new ATOM 0 HE ARG A 41 -11.682 -10.285 -5.416 1.00 31.43 H new ATOM 0 HH11 ARG A 41 -11.780 -13.406 -3.841 1.00 73.54 H new ATOM 0 HH12 ARG A 41 -13.294 -13.051 -3.003 1.00 73.54 H new ATOM 0 HH21 ARG A 41 -13.580 -9.854 -4.335 1.00 2.35 H new ATOM 0 HH22 ARG A 41 -14.295 -11.076 -3.278 1.00 2.35 H new ATOM 645 N ALA A 42 -8.939 -8.096 -8.245 1.00 25.24 N ATOM 646 CA ALA A 42 -9.324 -7.758 -9.619 1.00 20.34 C ATOM 647 C ALA A 42 -8.094 -7.416 -10.472 1.00 64.51 C ATOM 648 O ALA A 42 -7.967 -7.875 -11.608 1.00 14.14 O ATOM 649 CB ALA A 42 -10.313 -6.598 -9.628 1.00 30.41 C ATOM 0 H ALA A 42 -9.273 -7.437 -7.542 1.00 25.24 H new ATOM 0 HA ALA A 42 -9.806 -8.633 -10.055 1.00 20.34 H new ATOM 0 HB1 ALA A 42 -10.587 -6.361 -10.656 1.00 30.41 H new ATOM 0 HB2 ALA A 42 -11.206 -6.877 -9.069 1.00 30.41 H new ATOM 0 HB3 ALA A 42 -9.854 -5.725 -9.165 1.00 30.41 H new ATOM 655 N ILE A 43 -7.183 -6.615 -9.916 1.00 45.22 N ATOM 656 CA ILE A 43 -5.928 -6.279 -10.599 1.00 71.44 C ATOM 657 C ILE A 43 -5.133 -7.551 -10.938 1.00 71.44 C ATOM 658 O ILE A 43 -4.684 -7.733 -12.069 1.00 0.44 O ATOM 659 CB ILE A 43 -5.046 -5.336 -9.735 1.00 74.32 C ATOM 660 CG1 ILE A 43 -5.767 -3.999 -9.480 1.00 35.33 C ATOM 661 CG2 ILE A 43 -3.692 -5.097 -10.405 1.00 33.41 C ATOM 662 CD1 ILE A 43 -5.005 -3.057 -8.568 1.00 24.02 C ATOM 0 H ILE A 43 -7.289 -6.187 -8.996 1.00 45.22 H new ATOM 0 HA ILE A 43 -6.192 -5.762 -11.521 1.00 71.44 H new ATOM 0 HB ILE A 43 -4.871 -5.820 -8.774 1.00 74.32 H new ATOM 0 HG12 ILE A 43 -5.942 -3.503 -10.435 1.00 35.33 H new ATOM 0 HG13 ILE A 43 -6.745 -4.202 -9.043 1.00 35.33 H new ATOM 0 HG21 ILE A 43 -3.090 -4.434 -9.783 1.00 33.41 H new ATOM 0 HG22 ILE A 43 -3.174 -6.048 -10.528 1.00 33.41 H new ATOM 0 HG23 ILE A 43 -3.845 -4.638 -11.382 1.00 33.41 H new ATOM 0 HD11 ILE A 43 -5.576 -2.138 -8.436 1.00 24.02 H new ATOM 0 HD12 ILE A 43 -4.853 -3.532 -7.599 1.00 24.02 H new ATOM 0 HD13 ILE A 43 -4.038 -2.823 -9.013 1.00 24.02 H new ATOM 674 N ARG A 44 -4.983 -8.434 -9.952 1.00 61.32 N ATOM 675 CA ARG A 44 -4.295 -9.717 -10.145 1.00 21.43 C ATOM 676 C ARG A 44 -5.016 -10.597 -11.183 1.00 23.23 C ATOM 677 O ARG A 44 -4.383 -11.363 -11.911 1.00 1.31 O ATOM 678 CB ARG A 44 -4.183 -10.461 -8.803 1.00 61.40 C ATOM 679 CG ARG A 44 -3.586 -11.864 -8.916 1.00 73.20 C ATOM 680 CD ARG A 44 -3.466 -12.551 -7.557 1.00 61.01 C ATOM 681 NE ARG A 44 -4.734 -12.546 -6.824 1.00 2.33 N ATOM 682 CZ ARG A 44 -5.630 -13.497 -6.877 1.00 1.51 C ATOM 683 NH1 ARG A 44 -5.438 -14.552 -7.601 1.00 62.14 N ATOM 684 NH2 ARG A 44 -6.720 -13.391 -6.189 1.00 71.54 N ATOM 0 H ARG A 44 -5.330 -8.286 -9.004 1.00 61.32 H new ATOM 0 HA ARG A 44 -3.296 -9.507 -10.526 1.00 21.43 H new ATOM 0 HB2 ARG A 44 -3.570 -9.870 -8.122 1.00 61.40 H new ATOM 0 HB3 ARG A 44 -5.175 -10.534 -8.356 1.00 61.40 H new ATOM 0 HG2 ARG A 44 -4.209 -12.470 -9.574 1.00 73.20 H new ATOM 0 HG3 ARG A 44 -2.601 -11.802 -9.378 1.00 73.20 H new ATOM 0 HD2 ARG A 44 -3.134 -13.579 -7.699 1.00 61.01 H new ATOM 0 HD3 ARG A 44 -2.702 -12.049 -6.963 1.00 61.01 H new ATOM 0 HE ARG A 44 -4.933 -11.742 -6.229 1.00 2.33 H new ATOM 0 HH11 ARG A 44 -4.578 -14.651 -8.141 1.00 62.14 H new ATOM 0 HH12 ARG A 44 -6.146 -15.285 -7.632 1.00 62.14 H new ATOM 0 HH21 ARG A 44 -6.878 -12.568 -5.608 1.00 71.54 H new ATOM 0 HH22 ARG A 44 -7.421 -14.131 -6.228 1.00 71.54 H new ATOM 698 N SER A 45 -6.340 -10.483 -11.248 1.00 10.05 N ATOM 699 CA SER A 45 -7.135 -11.256 -12.215 1.00 3.40 C ATOM 700 C SER A 45 -7.116 -10.619 -13.615 1.00 53.34 C ATOM 701 O SER A 45 -7.248 -11.310 -14.623 1.00 25.41 O ATOM 702 CB SER A 45 -8.587 -11.397 -11.729 1.00 34.34 C ATOM 703 OG SER A 45 -9.358 -12.203 -12.614 1.00 62.31 O ATOM 0 H SER A 45 -6.889 -9.867 -10.648 1.00 10.05 H new ATOM 0 HA SER A 45 -6.679 -12.243 -12.289 1.00 3.40 H new ATOM 0 HB2 SER A 45 -8.597 -11.838 -10.732 1.00 34.34 H new ATOM 0 HB3 SER A 45 -9.041 -10.410 -11.646 1.00 34.34 H new ATOM 0 HG SER A 45 -10.275 -12.274 -12.276 1.00 62.31 H new ATOM 709 N SER A 46 -6.951 -9.298 -13.674 1.00 40.32 N ATOM 710 CA SER A 46 -6.957 -8.568 -14.955 1.00 2.01 C ATOM 711 C SER A 46 -5.538 -8.257 -15.449 1.00 2.42 C ATOM 712 O SER A 46 -5.084 -8.806 -16.456 1.00 51.43 O ATOM 713 CB SER A 46 -7.744 -7.258 -14.829 1.00 20.12 C ATOM 714 OG SER A 46 -7.662 -6.499 -16.026 1.00 21.23 O ATOM 0 H SER A 46 -6.811 -8.706 -12.855 1.00 40.32 H new ATOM 0 HA SER A 46 -7.439 -9.219 -15.684 1.00 2.01 H new ATOM 0 HB2 SER A 46 -8.788 -7.477 -14.603 1.00 20.12 H new ATOM 0 HB3 SER A 46 -7.354 -6.674 -13.996 1.00 20.12 H new ATOM 0 HG SER A 46 -8.173 -5.669 -15.923 1.00 21.23 H new ATOM 720 N HIS A 47 -4.842 -7.368 -14.742 1.00 34.23 N ATOM 721 CA HIS A 47 -3.494 -6.935 -15.140 1.00 70.40 C ATOM 722 C HIS A 47 -2.407 -7.883 -14.605 1.00 34.30 C ATOM 723 O HIS A 47 -1.237 -7.773 -14.977 1.00 53.30 O ATOM 724 CB HIS A 47 -3.232 -5.504 -14.648 1.00 31.25 C ATOM 725 CG HIS A 47 -4.140 -4.479 -15.263 1.00 73.45 C ATOM 726 ND1 HIS A 47 -3.725 -3.687 -16.307 1.00 52.31 N ATOM 727 CD2 HIS A 47 -5.416 -4.155 -14.945 1.00 42.52 C ATOM 728 CE1 HIS A 47 -4.747 -2.907 -16.598 1.00 43.11 C ATOM 729 NE2 HIS A 47 -5.793 -3.153 -15.801 1.00 63.45 N ATOM 0 H HIS A 47 -5.186 -6.930 -13.888 1.00 34.23 H new ATOM 0 HA HIS A 47 -3.448 -6.960 -16.229 1.00 70.40 H new ATOM 0 HB2 HIS A 47 -3.347 -5.475 -13.564 1.00 31.25 H new ATOM 0 HB3 HIS A 47 -2.198 -5.238 -14.866 1.00 31.25 H new ATOM 0 HD2 HIS A 47 -6.019 -4.600 -14.168 1.00 42.52 H new ATOM 0 HE1 HIS A 47 -4.741 -2.163 -17.381 1.00 43.11 H new ATOM 0 HE2 HIS A 47 -6.699 -2.684 -15.826 1.00 63.45 H new ATOM 737 N ALA A 48 -2.808 -8.798 -13.719 1.00 1.41 N ATOM 738 CA ALA A 48 -1.901 -9.802 -13.140 1.00 51.53 C ATOM 739 C ALA A 48 -0.807 -9.172 -12.257 1.00 43.33 C ATOM 740 O ALA A 48 0.163 -9.837 -11.897 1.00 4.24 O ATOM 741 CB ALA A 48 -1.277 -10.659 -14.243 1.00 21.01 C ATOM 0 H ALA A 48 -3.768 -8.867 -13.381 1.00 1.41 H new ATOM 0 HA ALA A 48 -2.503 -10.439 -12.491 1.00 51.53 H new ATOM 0 HB1 ALA A 48 -0.609 -11.396 -13.797 1.00 21.01 H new ATOM 0 HB2 ALA A 48 -2.065 -11.171 -14.796 1.00 21.01 H new ATOM 0 HB3 ALA A 48 -0.712 -10.022 -14.923 1.00 21.01 H new ATOM 747 N VAL A 49 -0.976 -7.898 -11.892 1.00 23.32 N ATOM 748 CA VAL A 49 0.016 -7.186 -11.073 1.00 3.51 C ATOM 749 C VAL A 49 0.004 -7.671 -9.613 1.00 72.55 C ATOM 750 O VAL A 49 -1.055 -7.811 -8.999 1.00 33.53 O ATOM 751 CB VAL A 49 -0.212 -5.652 -11.105 1.00 1.33 C ATOM 752 CG1 VAL A 49 0.824 -4.924 -10.244 1.00 53.42 C ATOM 753 CG2 VAL A 49 -0.183 -5.133 -12.542 1.00 61.13 C ATOM 0 H VAL A 49 -1.788 -7.337 -12.149 1.00 23.32 H new ATOM 0 HA VAL A 49 0.990 -7.408 -11.509 1.00 3.51 H new ATOM 0 HB VAL A 49 -1.198 -5.449 -10.687 1.00 1.33 H new ATOM 0 HG11 VAL A 49 0.641 -3.850 -10.284 1.00 53.42 H new ATOM 0 HG12 VAL A 49 0.745 -5.267 -9.212 1.00 53.42 H new ATOM 0 HG13 VAL A 49 1.824 -5.136 -10.621 1.00 53.42 H new ATOM 0 HG21 VAL A 49 -0.345 -4.055 -12.543 1.00 61.13 H new ATOM 0 HG22 VAL A 49 0.786 -5.355 -12.989 1.00 61.13 H new ATOM 0 HG23 VAL A 49 -0.969 -5.618 -13.120 1.00 61.13 H new ATOM 763 N GLU A 50 1.194 -7.922 -9.065 1.00 31.43 N ATOM 764 CA GLU A 50 1.337 -8.375 -7.678 1.00 11.12 C ATOM 765 C GLU A 50 1.389 -7.169 -6.721 1.00 44.53 C ATOM 766 O GLU A 50 2.439 -6.566 -6.511 1.00 51.04 O ATOM 767 CB GLU A 50 2.604 -9.244 -7.558 1.00 20.30 C ATOM 768 CG GLU A 50 2.549 -10.512 -8.415 1.00 40.34 C ATOM 769 CD GLU A 50 3.919 -11.119 -8.702 1.00 52.23 C ATOM 770 OE1 GLU A 50 4.432 -11.888 -7.862 1.00 21.22 O ATOM 771 OE2 GLU A 50 4.477 -10.851 -9.792 1.00 64.35 O ATOM 0 H GLU A 50 2.078 -7.819 -9.563 1.00 31.43 H new ATOM 0 HA GLU A 50 0.473 -8.977 -7.397 1.00 11.12 H new ATOM 0 HB2 GLU A 50 3.471 -8.653 -7.851 1.00 20.30 H new ATOM 0 HB3 GLU A 50 2.747 -9.524 -6.514 1.00 20.30 H new ATOM 0 HG2 GLU A 50 1.931 -11.255 -7.910 1.00 40.34 H new ATOM 0 HG3 GLU A 50 2.059 -10.280 -9.361 1.00 40.34 H new ATOM 778 N PHE A 51 0.233 -6.824 -6.152 1.00 72.33 N ATOM 779 CA PHE A 51 0.084 -5.629 -5.305 1.00 35.31 C ATOM 780 C PHE A 51 -0.169 -6.030 -3.839 1.00 53.32 C ATOM 781 O PHE A 51 -1.264 -6.455 -3.485 1.00 14.51 O ATOM 782 CB PHE A 51 -1.092 -4.788 -5.841 1.00 32.11 C ATOM 783 CG PHE A 51 -1.150 -3.343 -5.377 1.00 30.32 C ATOM 784 CD1 PHE A 51 -0.643 -2.944 -4.144 1.00 3.10 C ATOM 785 CD2 PHE A 51 -1.730 -2.379 -6.194 1.00 64.20 C ATOM 786 CE1 PHE A 51 -0.714 -1.621 -3.743 1.00 42.30 C ATOM 787 CE2 PHE A 51 -1.803 -1.059 -5.796 1.00 24.13 C ATOM 788 CZ PHE A 51 -1.295 -0.678 -4.571 1.00 64.13 C ATOM 0 H PHE A 51 -0.627 -7.361 -6.262 1.00 72.33 H new ATOM 0 HA PHE A 51 1.003 -5.043 -5.337 1.00 35.31 H new ATOM 0 HB2 PHE A 51 -1.051 -4.797 -6.930 1.00 32.11 H new ATOM 0 HB3 PHE A 51 -2.022 -5.278 -5.553 1.00 32.11 H new ATOM 0 HD1 PHE A 51 -0.189 -3.675 -3.492 1.00 3.10 H new ATOM 0 HD2 PHE A 51 -2.130 -2.667 -7.155 1.00 64.20 H new ATOM 0 HE1 PHE A 51 -0.316 -1.325 -2.784 1.00 42.30 H new ATOM 0 HE2 PHE A 51 -2.258 -0.324 -6.444 1.00 24.13 H new ATOM 0 HZ PHE A 51 -1.351 0.355 -4.259 1.00 64.13 H new ATOM 798 N ALA A 52 0.844 -5.883 -2.990 1.00 73.34 N ATOM 799 CA ALA A 52 0.744 -6.290 -1.581 1.00 61.35 C ATOM 800 C ALA A 52 0.542 -5.089 -0.642 1.00 71.03 C ATOM 801 O ALA A 52 1.376 -4.187 -0.585 1.00 45.34 O ATOM 802 CB ALA A 52 1.994 -7.070 -1.178 1.00 21.24 C ATOM 0 H ALA A 52 1.747 -5.485 -3.248 1.00 73.34 H new ATOM 0 HA ALA A 52 -0.135 -6.927 -1.483 1.00 61.35 H new ATOM 0 HB1 ALA A 52 1.915 -7.369 -0.133 1.00 21.24 H new ATOM 0 HB2 ALA A 52 2.086 -7.958 -1.804 1.00 21.24 H new ATOM 0 HB3 ALA A 52 2.874 -6.440 -1.309 1.00 21.24 H new ATOM 808 N VAL A 53 -0.567 -5.089 0.101 1.00 31.21 N ATOM 809 CA VAL A 53 -0.855 -4.026 1.077 1.00 34.15 C ATOM 810 C VAL A 53 -0.772 -4.561 2.518 1.00 4.32 C ATOM 811 O VAL A 53 -1.382 -5.577 2.849 1.00 0.25 O ATOM 812 CB VAL A 53 -2.256 -3.404 0.844 1.00 20.52 C ATOM 813 CG1 VAL A 53 -2.558 -2.325 1.887 1.00 63.44 C ATOM 814 CG2 VAL A 53 -2.361 -2.832 -0.570 1.00 23.53 C ATOM 0 H VAL A 53 -1.284 -5.813 0.048 1.00 31.21 H new ATOM 0 HA VAL A 53 -0.099 -3.253 0.935 1.00 34.15 H new ATOM 0 HB VAL A 53 -2.999 -4.194 0.953 1.00 20.52 H new ATOM 0 HG11 VAL A 53 -3.546 -1.905 1.701 1.00 63.44 H new ATOM 0 HG12 VAL A 53 -2.533 -2.765 2.884 1.00 63.44 H new ATOM 0 HG13 VAL A 53 -1.810 -1.535 1.820 1.00 63.44 H new ATOM 0 HG21 VAL A 53 -3.351 -2.400 -0.715 1.00 23.53 H new ATOM 0 HG22 VAL A 53 -1.604 -2.060 -0.707 1.00 23.53 H new ATOM 0 HG23 VAL A 53 -2.203 -3.628 -1.297 1.00 23.53 H new ATOM 824 N VAL A 54 -0.008 -3.871 3.369 1.00 2.20 N ATOM 825 CA VAL A 54 0.182 -4.282 4.770 1.00 71.11 C ATOM 826 C VAL A 54 -0.116 -3.122 5.736 1.00 52.12 C ATOM 827 O VAL A 54 0.215 -1.971 5.451 1.00 42.23 O ATOM 828 CB VAL A 54 1.636 -4.771 5.017 1.00 12.31 C ATOM 829 CG1 VAL A 54 1.810 -5.290 6.446 1.00 53.01 C ATOM 830 CG2 VAL A 54 2.033 -5.834 3.996 1.00 45.04 C ATOM 0 H VAL A 54 0.493 -3.020 3.114 1.00 2.20 H new ATOM 0 HA VAL A 54 -0.515 -5.099 4.957 1.00 71.11 H new ATOM 0 HB VAL A 54 2.302 -3.917 4.891 1.00 12.31 H new ATOM 0 HG11 VAL A 54 2.837 -5.625 6.589 1.00 53.01 H new ATOM 0 HG12 VAL A 54 1.587 -4.491 7.153 1.00 53.01 H new ATOM 0 HG13 VAL A 54 1.129 -6.124 6.615 1.00 53.01 H new ATOM 0 HG21 VAL A 54 3.055 -6.161 4.189 1.00 45.04 H new ATOM 0 HG22 VAL A 54 1.358 -6.686 4.077 1.00 45.04 H new ATOM 0 HG23 VAL A 54 1.970 -5.415 2.992 1.00 45.04 H new ATOM 840 N THR A 55 -0.747 -3.422 6.874 1.00 55.41 N ATOM 841 CA THR A 55 -1.006 -2.398 7.904 1.00 32.35 C ATOM 842 C THR A 55 -0.462 -2.831 9.273 1.00 3.13 C ATOM 843 O THR A 55 -0.892 -3.840 9.833 1.00 72.12 O ATOM 844 CB THR A 55 -2.523 -2.095 8.047 1.00 1.10 C ATOM 845 OG1 THR A 55 -3.235 -3.266 8.483 1.00 64.15 O ATOM 846 CG2 THR A 55 -3.116 -1.607 6.728 1.00 35.00 C ATOM 0 H THR A 55 -1.087 -4.354 7.110 1.00 55.41 H new ATOM 0 HA THR A 55 -0.490 -1.496 7.574 1.00 32.35 H new ATOM 0 HB THR A 55 -2.629 -1.307 8.793 1.00 1.10 H new ATOM 0 HG1 THR A 55 -2.721 -3.719 9.184 1.00 64.15 H new ATOM 0 HG21 THR A 55 -4.179 -1.403 6.860 1.00 35.00 H new ATOM 0 HG22 THR A 55 -2.608 -0.695 6.416 1.00 35.00 H new ATOM 0 HG23 THR A 55 -2.986 -2.374 5.965 1.00 35.00 H new ATOM 854 N LEU A 56 0.448 -2.033 9.834 1.00 10.23 N ATOM 855 CA LEU A 56 1.092 -2.360 11.116 1.00 3.34 C ATOM 856 C LEU A 56 0.928 -1.219 12.136 1.00 21.21 C ATOM 857 O LEU A 56 1.106 -0.045 11.803 1.00 35.10 O ATOM 858 CB LEU A 56 2.589 -2.636 10.904 1.00 70.22 C ATOM 859 CG LEU A 56 2.925 -3.776 9.929 1.00 0.41 C ATOM 860 CD1 LEU A 56 4.431 -3.888 9.737 1.00 74.14 C ATOM 861 CD2 LEU A 56 2.356 -5.100 10.425 1.00 30.12 C ATOM 0 H LEU A 56 0.759 -1.153 9.423 1.00 10.23 H new ATOM 0 HA LEU A 56 0.603 -3.251 11.510 1.00 3.34 H new ATOM 0 HB2 LEU A 56 3.060 -1.722 10.542 1.00 70.22 H new ATOM 0 HB3 LEU A 56 3.038 -2.865 11.871 1.00 70.22 H new ATOM 0 HG LEU A 56 2.467 -3.544 8.968 1.00 0.41 H new ATOM 0 HD11 LEU A 56 4.650 -4.700 9.044 1.00 74.14 H new ATOM 0 HD12 LEU A 56 4.817 -2.952 9.333 1.00 74.14 H new ATOM 0 HD13 LEU A 56 4.906 -4.092 10.697 1.00 74.14 H new ATOM 0 HD21 LEU A 56 2.607 -5.891 9.718 1.00 30.12 H new ATOM 0 HD22 LEU A 56 2.781 -5.336 11.400 1.00 30.12 H new ATOM 0 HD23 LEU A 56 1.272 -5.021 10.511 1.00 30.12 H new ATOM 873 N PRO A 57 0.591 -1.548 13.401 1.00 1.50 N ATOM 874 CA PRO A 57 0.430 -0.539 14.463 1.00 30.43 C ATOM 875 C PRO A 57 1.772 -0.003 15.004 1.00 61.14 C ATOM 876 O PRO A 57 1.842 1.116 15.517 1.00 34.42 O ATOM 877 CB PRO A 57 -0.339 -1.303 15.551 1.00 22.43 C ATOM 878 CG PRO A 57 0.061 -2.731 15.367 1.00 65.32 C ATOM 879 CD PRO A 57 0.320 -2.916 13.890 1.00 55.32 C ATOM 0 HA PRO A 57 -0.081 0.353 14.101 1.00 30.43 H new ATOM 0 HB2 PRO A 57 -0.078 -0.944 16.547 1.00 22.43 H new ATOM 0 HB3 PRO A 57 -1.416 -1.176 15.438 1.00 22.43 H new ATOM 0 HG2 PRO A 57 0.953 -2.962 15.949 1.00 65.32 H new ATOM 0 HG3 PRO A 57 -0.727 -3.402 15.710 1.00 65.32 H new ATOM 0 HD2 PRO A 57 1.167 -3.578 13.713 1.00 55.32 H new ATOM 0 HD3 PRO A 57 -0.540 -3.357 13.386 1.00 55.32 H new ATOM 887 N SER A 58 2.837 -0.800 14.885 1.00 42.44 N ATOM 888 CA SER A 58 4.175 -0.389 15.345 1.00 71.32 C ATOM 889 C SER A 58 5.272 -1.150 14.603 1.00 3.11 C ATOM 890 O SER A 58 5.060 -2.276 14.175 1.00 5.54 O ATOM 891 CB SER A 58 4.351 -0.643 16.850 1.00 63.02 C ATOM 892 OG SER A 58 3.355 -0.002 17.632 1.00 3.01 O ATOM 0 H SER A 58 2.804 -1.733 14.475 1.00 42.44 H new ATOM 0 HA SER A 58 4.260 0.678 15.139 1.00 71.32 H new ATOM 0 HB2 SER A 58 4.322 -1.716 17.039 1.00 63.02 H new ATOM 0 HB3 SER A 58 5.334 -0.291 17.161 1.00 63.02 H new ATOM 0 HG SER A 58 3.509 -0.195 18.580 1.00 3.01 H new ATOM 898 N ILE A 59 6.446 -0.536 14.467 1.00 42.30 N ATOM 899 CA ILE A 59 7.628 -1.224 13.920 1.00 1.14 C ATOM 900 C ILE A 59 8.818 -1.131 14.889 1.00 71.42 C ATOM 901 O ILE A 59 9.633 -2.048 14.977 1.00 11.33 O ATOM 902 CB ILE A 59 8.043 -0.676 12.525 1.00 53.45 C ATOM 903 CG1 ILE A 59 8.353 0.831 12.592 1.00 15.24 C ATOM 904 CG2 ILE A 59 6.952 -0.964 11.492 1.00 14.34 C ATOM 905 CD1 ILE A 59 8.794 1.426 11.268 1.00 63.40 C ATOM 0 H ILE A 59 6.610 0.437 14.726 1.00 42.30 H new ATOM 0 HA ILE A 59 7.345 -2.269 13.796 1.00 1.14 H new ATOM 0 HB ILE A 59 8.954 -1.188 12.215 1.00 53.45 H new ATOM 0 HG12 ILE A 59 7.465 1.360 12.939 1.00 15.24 H new ATOM 0 HG13 ILE A 59 9.134 0.999 13.333 1.00 15.24 H new ATOM 0 HG21 ILE A 59 7.258 -0.574 10.521 1.00 14.34 H new ATOM 0 HG22 ILE A 59 6.796 -2.040 11.418 1.00 14.34 H new ATOM 0 HG23 ILE A 59 6.023 -0.483 11.800 1.00 14.34 H new ATOM 0 HD11 ILE A 59 8.994 2.490 11.396 1.00 63.40 H new ATOM 0 HD12 ILE A 59 9.700 0.925 10.928 1.00 63.40 H new ATOM 0 HD13 ILE A 59 8.005 1.291 10.528 1.00 63.40 H new ATOM 917 N GLY A 60 8.896 -0.024 15.630 1.00 12.52 N ATOM 918 CA GLY A 60 9.944 0.145 16.631 1.00 34.31 C ATOM 919 C GLY A 60 11.344 0.268 16.036 1.00 43.12 C ATOM 920 O GLY A 60 11.639 1.217 15.307 1.00 15.33 O ATOM 0 H GLY A 60 8.250 0.762 15.555 1.00 12.52 H new ATOM 0 HA2 GLY A 60 9.730 1.036 17.222 1.00 34.31 H new ATOM 0 HA3 GLY A 60 9.922 -0.704 17.314 1.00 34.31 H new ATOM 924 N ASP A 61 12.211 -0.692 16.350 1.00 32.34 N ATOM 925 CA ASP A 61 13.591 -0.680 15.857 1.00 25.31 C ATOM 926 C ASP A 61 13.694 -1.293 14.448 1.00 44.34 C ATOM 927 O ASP A 61 14.270 -2.367 14.250 1.00 61.21 O ATOM 928 CB ASP A 61 14.527 -1.386 16.856 1.00 41.02 C ATOM 929 CG ASP A 61 13.970 -2.711 17.354 1.00 13.03 C ATOM 930 OD1 ASP A 61 13.038 -2.688 18.190 1.00 23.43 O ATOM 931 OD2 ASP A 61 14.468 -3.777 16.937 1.00 31.30 O ATOM 0 H ASP A 61 11.984 -1.490 16.944 1.00 32.34 H new ATOM 0 HA ASP A 61 13.912 0.358 15.773 1.00 25.31 H new ATOM 0 HB2 ASP A 61 15.493 -1.559 16.381 1.00 41.02 H new ATOM 0 HB3 ASP A 61 14.704 -0.729 17.707 1.00 41.02 H new ATOM 936 N ALA A 62 13.109 -0.599 13.478 1.00 54.31 N ATOM 937 CA ALA A 62 13.164 -1.003 12.071 1.00 10.34 C ATOM 938 C ALA A 62 12.870 0.191 11.148 1.00 41.14 C ATOM 939 O ALA A 62 11.733 0.651 11.066 1.00 61.55 O ATOM 940 CB ALA A 62 12.183 -2.143 11.804 1.00 44.34 C ATOM 0 H ALA A 62 12.583 0.259 13.641 1.00 54.31 H new ATOM 0 HA ALA A 62 14.172 -1.357 11.856 1.00 10.34 H new ATOM 0 HB1 ALA A 62 12.237 -2.431 10.754 1.00 44.34 H new ATOM 0 HB2 ALA A 62 12.441 -2.998 12.428 1.00 44.34 H new ATOM 0 HB3 ALA A 62 11.171 -1.814 12.039 1.00 44.34 H new ATOM 946 N PRO A 63 13.898 0.727 10.463 1.00 51.52 N ATOM 947 CA PRO A 63 13.737 1.873 9.543 1.00 62.42 C ATOM 948 C PRO A 63 12.706 1.611 8.422 1.00 40.43 C ATOM 949 O PRO A 63 12.671 0.528 7.837 1.00 74.21 O ATOM 950 CB PRO A 63 15.153 2.073 8.969 1.00 31.52 C ATOM 951 CG PRO A 63 15.882 0.802 9.262 1.00 53.52 C ATOM 952 CD PRO A 63 15.296 0.273 10.535 1.00 63.11 C ATOM 0 HA PRO A 63 13.348 2.752 10.056 1.00 62.42 H new ATOM 0 HB2 PRO A 63 15.119 2.268 7.897 1.00 31.52 H new ATOM 0 HB3 PRO A 63 15.648 2.926 9.433 1.00 31.52 H new ATOM 0 HG2 PRO A 63 15.760 0.086 8.449 1.00 53.52 H new ATOM 0 HG3 PRO A 63 16.952 0.982 9.370 1.00 53.52 H new ATOM 0 HD2 PRO A 63 15.366 -0.813 10.592 1.00 63.11 H new ATOM 0 HD3 PRO A 63 15.806 0.672 11.412 1.00 63.11 H new ATOM 960 N LEU A 64 11.887 2.625 8.119 1.00 70.32 N ATOM 961 CA LEU A 64 10.754 2.484 7.183 1.00 15.54 C ATOM 962 C LEU A 64 11.170 1.932 5.804 1.00 50.42 C ATOM 963 O LEU A 64 10.643 0.912 5.350 1.00 65.43 O ATOM 964 CB LEU A 64 10.049 3.844 7.008 1.00 61.11 C ATOM 965 CG LEU A 64 8.870 3.870 6.013 1.00 65.03 C ATOM 966 CD1 LEU A 64 7.780 2.886 6.426 1.00 52.15 C ATOM 967 CD2 LEU A 64 8.299 5.285 5.885 1.00 0.44 C ATOM 0 H LEU A 64 11.986 3.562 8.510 1.00 70.32 H new ATOM 0 HA LEU A 64 10.072 1.756 7.622 1.00 15.54 H new ATOM 0 HB2 LEU A 64 9.684 4.170 7.982 1.00 61.11 H new ATOM 0 HB3 LEU A 64 10.789 4.576 6.684 1.00 61.11 H new ATOM 0 HG LEU A 64 9.249 3.563 5.038 1.00 65.03 H new ATOM 0 HD11 LEU A 64 6.962 2.926 5.707 1.00 52.15 H new ATOM 0 HD12 LEU A 64 8.191 1.877 6.452 1.00 52.15 H new ATOM 0 HD13 LEU A 64 7.406 3.151 7.415 1.00 52.15 H new ATOM 0 HD21 LEU A 64 7.469 5.280 5.179 1.00 0.44 H new ATOM 0 HD22 LEU A 64 7.945 5.624 6.859 1.00 0.44 H new ATOM 0 HD23 LEU A 64 9.076 5.960 5.527 1.00 0.44 H new ATOM 979 N GLU A 65 12.113 2.599 5.143 1.00 65.41 N ATOM 980 CA GLU A 65 12.491 2.240 3.768 1.00 43.11 C ATOM 981 C GLU A 65 13.370 0.980 3.716 1.00 73.10 C ATOM 982 O GLU A 65 13.652 0.450 2.640 1.00 22.21 O ATOM 983 CB GLU A 65 13.196 3.419 3.080 1.00 70.53 C ATOM 984 CG GLU A 65 12.380 4.713 3.113 1.00 72.54 C ATOM 985 CD GLU A 65 12.843 5.740 2.093 1.00 34.20 C ATOM 986 OE1 GLU A 65 13.769 6.520 2.395 1.00 72.23 O ATOM 987 OE2 GLU A 65 12.269 5.779 0.982 1.00 54.21 O ATOM 0 H GLU A 65 12.630 3.388 5.530 1.00 65.41 H new ATOM 0 HA GLU A 65 11.571 2.012 3.229 1.00 43.11 H new ATOM 0 HB2 GLU A 65 14.157 3.591 3.564 1.00 70.53 H new ATOM 0 HB3 GLU A 65 13.404 3.155 2.043 1.00 70.53 H new ATOM 0 HG2 GLU A 65 11.331 4.478 2.932 1.00 72.54 H new ATOM 0 HG3 GLU A 65 12.441 5.148 4.110 1.00 72.54 H new ATOM 994 N ASP A 66 13.823 0.519 4.877 1.00 23.05 N ATOM 995 CA ASP A 66 14.503 -0.775 4.981 1.00 65.01 C ATOM 996 C ASP A 66 13.491 -1.892 5.267 1.00 53.33 C ATOM 997 O ASP A 66 13.645 -3.023 4.799 1.00 32.24 O ATOM 998 CB ASP A 66 15.567 -0.734 6.079 1.00 1.21 C ATOM 999 CG ASP A 66 16.755 0.130 5.698 1.00 75.44 C ATOM 1000 OD1 ASP A 66 16.674 1.368 5.837 1.00 55.43 O ATOM 1001 OD2 ASP A 66 17.781 -0.428 5.256 1.00 53.32 O ATOM 0 H ASP A 66 13.733 1.019 5.761 1.00 23.05 H new ATOM 0 HA ASP A 66 14.992 -0.983 4.029 1.00 65.01 H new ATOM 0 HB2 ASP A 66 15.123 -0.352 6.998 1.00 1.21 H new ATOM 0 HB3 ASP A 66 15.910 -1.747 6.288 1.00 1.21 H new ATOM 1006 N PHE A 67 12.454 -1.563 6.037 1.00 43.32 N ATOM 1007 CA PHE A 67 11.381 -2.508 6.341 1.00 12.41 C ATOM 1008 C PHE A 67 10.690 -2.977 5.052 1.00 35.33 C ATOM 1009 O PHE A 67 10.523 -4.177 4.824 1.00 65.30 O ATOM 1010 CB PHE A 67 10.354 -1.860 7.283 1.00 71.23 C ATOM 1011 CG PHE A 67 9.317 -2.827 7.797 1.00 33.12 C ATOM 1012 CD1 PHE A 67 8.211 -3.165 7.028 1.00 63.03 C ATOM 1013 CD2 PHE A 67 9.456 -3.408 9.048 1.00 73.33 C ATOM 1014 CE1 PHE A 67 7.274 -4.064 7.495 1.00 35.01 C ATOM 1015 CE2 PHE A 67 8.518 -4.302 9.519 1.00 64.05 C ATOM 1016 CZ PHE A 67 7.429 -4.632 8.742 1.00 0.02 C ATOM 0 H PHE A 67 12.335 -0.644 6.463 1.00 43.32 H new ATOM 0 HA PHE A 67 11.818 -3.376 6.835 1.00 12.41 H new ATOM 0 HB2 PHE A 67 10.878 -1.417 8.130 1.00 71.23 H new ATOM 0 HB3 PHE A 67 9.853 -1.047 6.758 1.00 71.23 H new ATOM 0 HD1 PHE A 67 8.083 -2.719 6.053 1.00 63.03 H new ATOM 0 HD2 PHE A 67 10.309 -3.157 9.661 1.00 73.33 H new ATOM 0 HE1 PHE A 67 6.421 -4.322 6.885 1.00 35.01 H new ATOM 0 HE2 PHE A 67 8.637 -4.744 10.497 1.00 64.05 H new ATOM 0 HZ PHE A 67 6.697 -5.336 9.110 1.00 0.02 H new ATOM 1026 N THR A 68 10.295 -2.016 4.214 1.00 32.53 N ATOM 1027 CA THR A 68 9.660 -2.318 2.924 1.00 14.41 C ATOM 1028 C THR A 68 10.533 -3.242 2.067 1.00 63.32 C ATOM 1029 O THR A 68 10.037 -4.190 1.457 1.00 72.23 O ATOM 1030 CB THR A 68 9.352 -1.026 2.121 1.00 44.20 C ATOM 1031 OG1 THR A 68 10.514 -0.184 2.061 1.00 23.54 O ATOM 1032 CG2 THR A 68 8.199 -0.252 2.753 1.00 0.24 C ATOM 0 H THR A 68 10.403 -1.020 4.404 1.00 32.53 H new ATOM 0 HA THR A 68 8.723 -2.826 3.155 1.00 14.41 H new ATOM 0 HB THR A 68 9.066 -1.322 1.112 1.00 44.20 H new ATOM 0 HG1 THR A 68 11.044 -0.414 1.270 1.00 23.54 H new ATOM 0 HG21 THR A 68 8.003 0.649 2.171 1.00 0.24 H new ATOM 0 HG22 THR A 68 7.306 -0.876 2.766 1.00 0.24 H new ATOM 0 HG23 THR A 68 8.463 0.025 3.773 1.00 0.24 H new ATOM 1040 N LEU A 69 11.836 -2.970 2.041 1.00 63.41 N ATOM 1041 CA LEU A 69 12.783 -3.790 1.277 1.00 5.02 C ATOM 1042 C LEU A 69 12.826 -5.238 1.798 1.00 53.43 C ATOM 1043 O LEU A 69 12.619 -6.185 1.041 1.00 71.11 O ATOM 1044 CB LEU A 69 14.188 -3.167 1.340 1.00 22.32 C ATOM 1045 CG LEU A 69 15.265 -3.887 0.511 1.00 73.21 C ATOM 1046 CD1 LEU A 69 14.886 -3.916 -0.970 1.00 52.41 C ATOM 1047 CD2 LEU A 69 16.626 -3.224 0.710 1.00 24.32 C ATOM 0 H LEU A 69 12.263 -2.189 2.539 1.00 63.41 H new ATOM 0 HA LEU A 69 12.443 -3.817 0.242 1.00 5.02 H new ATOM 0 HB2 LEU A 69 14.124 -2.133 1.002 1.00 22.32 H new ATOM 0 HB3 LEU A 69 14.510 -3.143 2.381 1.00 22.32 H new ATOM 0 HG LEU A 69 15.331 -4.917 0.860 1.00 73.21 H new ATOM 0 HD11 LEU A 69 15.664 -4.430 -1.535 1.00 52.41 H new ATOM 0 HD12 LEU A 69 13.940 -4.443 -1.093 1.00 52.41 H new ATOM 0 HD13 LEU A 69 14.784 -2.896 -1.340 1.00 52.41 H new ATOM 0 HD21 LEU A 69 17.376 -3.747 0.116 1.00 24.32 H new ATOM 0 HD22 LEU A 69 16.573 -2.182 0.393 1.00 24.32 H new ATOM 0 HD23 LEU A 69 16.902 -3.269 1.764 1.00 24.32 H new ATOM 1059 N LYS A 70 13.081 -5.399 3.098 1.00 30.12 N ATOM 1060 CA LYS A 70 13.191 -6.730 3.715 1.00 11.30 C ATOM 1061 C LYS A 70 11.884 -7.534 3.590 1.00 62.41 C ATOM 1062 O LYS A 70 11.905 -8.732 3.302 1.00 11.33 O ATOM 1063 CB LYS A 70 13.593 -6.596 5.190 1.00 72.05 C ATOM 1064 CG LYS A 70 14.940 -5.908 5.390 1.00 54.41 C ATOM 1065 CD LYS A 70 15.289 -5.735 6.867 1.00 60.45 C ATOM 1066 CE LYS A 70 15.478 -7.073 7.576 1.00 71.52 C ATOM 1067 NZ LYS A 70 15.886 -6.890 8.993 1.00 23.45 N ATOM 0 H LYS A 70 13.216 -4.625 3.748 1.00 30.12 H new ATOM 0 HA LYS A 70 13.964 -7.279 3.177 1.00 11.30 H new ATOM 0 HB2 LYS A 70 12.824 -6.033 5.719 1.00 72.05 H new ATOM 0 HB3 LYS A 70 13.629 -7.588 5.641 1.00 72.05 H new ATOM 0 HG2 LYS A 70 15.720 -6.492 4.901 1.00 54.41 H new ATOM 0 HG3 LYS A 70 14.922 -4.931 4.906 1.00 54.41 H new ATOM 0 HD2 LYS A 70 16.202 -5.147 6.956 1.00 60.45 H new ATOM 0 HD3 LYS A 70 14.498 -5.172 7.362 1.00 60.45 H new ATOM 0 HE2 LYS A 70 14.549 -7.641 7.535 1.00 71.52 H new ATOM 0 HE3 LYS A 70 16.233 -7.659 7.052 1.00 71.52 H new ATOM 0 HZ1 LYS A 70 16.005 -7.820 9.443 1.00 23.45 H new ATOM 0 HZ2 LYS A 70 16.786 -6.369 9.031 1.00 23.45 H new ATOM 0 HZ3 LYS A 70 15.153 -6.352 9.499 1.00 23.45 H new ATOM 1081 N LEU A 71 10.749 -6.868 3.803 1.00 54.34 N ATOM 1082 CA LEU A 71 9.436 -7.519 3.680 1.00 54.35 C ATOM 1083 C LEU A 71 9.169 -7.949 2.228 1.00 42.14 C ATOM 1084 O LEU A 71 8.696 -9.056 1.966 1.00 73.44 O ATOM 1085 CB LEU A 71 8.326 -6.576 4.169 1.00 62.45 C ATOM 1086 CG LEU A 71 6.910 -7.179 4.199 1.00 31.24 C ATOM 1087 CD1 LEU A 71 6.846 -8.362 5.160 1.00 34.20 C ATOM 1088 CD2 LEU A 71 5.877 -6.118 4.577 1.00 74.31 C ATOM 0 H LEU A 71 10.708 -5.882 4.061 1.00 54.34 H new ATOM 0 HA LEU A 71 9.440 -8.413 4.304 1.00 54.35 H new ATOM 0 HB2 LEU A 71 8.579 -6.236 5.173 1.00 62.45 H new ATOM 0 HB3 LEU A 71 8.313 -5.695 3.528 1.00 62.45 H new ATOM 0 HG LEU A 71 6.674 -7.541 3.198 1.00 31.24 H new ATOM 0 HD11 LEU A 71 5.836 -8.772 5.165 1.00 34.20 H new ATOM 0 HD12 LEU A 71 7.548 -9.131 4.838 1.00 34.20 H new ATOM 0 HD13 LEU A 71 7.108 -8.029 6.165 1.00 34.20 H new ATOM 0 HD21 LEU A 71 4.884 -6.566 4.592 1.00 74.31 H new ATOM 0 HD22 LEU A 71 6.110 -5.719 5.564 1.00 74.31 H new ATOM 0 HD23 LEU A 71 5.900 -5.311 3.845 1.00 74.31 H new ATOM 1100 N ALA A 72 9.486 -7.069 1.281 1.00 15.03 N ATOM 1101 CA ALA A 72 9.335 -7.381 -0.143 1.00 74.31 C ATOM 1102 C ALA A 72 10.323 -8.474 -0.587 1.00 30.13 C ATOM 1103 O ALA A 72 10.024 -9.273 -1.479 1.00 1.22 O ATOM 1104 CB ALA A 72 9.520 -6.120 -0.978 1.00 63.35 C ATOM 0 H ALA A 72 9.849 -6.135 1.471 1.00 15.03 H new ATOM 0 HA ALA A 72 8.327 -7.765 -0.300 1.00 74.31 H new ATOM 0 HB1 ALA A 72 9.406 -6.363 -2.034 1.00 63.35 H new ATOM 0 HB2 ALA A 72 8.771 -5.381 -0.693 1.00 63.35 H new ATOM 0 HB3 ALA A 72 10.516 -5.712 -0.805 1.00 63.35 H new ATOM 1110 N ARG A 73 11.503 -8.499 0.039 1.00 53.21 N ATOM 1111 CA ARG A 73 12.525 -9.514 -0.254 1.00 71.33 C ATOM 1112 C ARG A 73 12.012 -10.939 0.001 1.00 42.24 C ATOM 1113 O ARG A 73 12.072 -11.794 -0.886 1.00 21.11 O ATOM 1114 CB ARG A 73 13.797 -9.253 0.574 1.00 31.03 C ATOM 1115 CG ARG A 73 14.722 -8.190 -0.023 1.00 72.45 C ATOM 1116 CD ARG A 73 15.875 -7.843 0.918 1.00 4.05 C ATOM 1117 NE ARG A 73 16.521 -9.034 1.468 1.00 43.22 N ATOM 1118 CZ ARG A 73 17.807 -9.164 1.652 1.00 71.10 C ATOM 1119 NH1 ARG A 73 18.632 -8.246 1.265 1.00 63.33 N ATOM 1120 NH2 ARG A 73 18.266 -10.233 2.211 1.00 21.42 N ATOM 0 H ARG A 73 11.777 -7.826 0.755 1.00 53.21 H new ATOM 0 HA ARG A 73 12.764 -9.434 -1.315 1.00 71.33 H new ATOM 0 HB2 ARG A 73 13.507 -8.945 1.579 1.00 31.03 H new ATOM 0 HB3 ARG A 73 14.351 -10.187 0.674 1.00 31.03 H new ATOM 0 HG2 ARG A 73 15.123 -8.549 -0.971 1.00 72.45 H new ATOM 0 HG3 ARG A 73 14.147 -7.290 -0.240 1.00 72.45 H new ATOM 0 HD2 ARG A 73 16.613 -7.248 0.380 1.00 4.05 H new ATOM 0 HD3 ARG A 73 15.501 -7.225 1.735 1.00 4.05 H new ATOM 0 HE ARG A 73 15.924 -9.820 1.726 1.00 43.22 H new ATOM 0 HH11 ARG A 73 18.281 -7.404 0.808 1.00 63.33 H new ATOM 0 HH12 ARG A 73 19.634 -8.364 1.417 1.00 63.33 H new ATOM 0 HH21 ARG A 73 17.625 -10.970 2.506 1.00 21.42 H new ATOM 0 HH22 ARG A 73 19.270 -10.341 2.358 1.00 21.42 H new ATOM 1134 N GLN A 74 11.500 -11.188 1.206 1.00 43.21 N ATOM 1135 CA GLN A 74 10.968 -12.514 1.554 1.00 5.53 C ATOM 1136 C GLN A 74 9.735 -12.875 0.704 1.00 33.13 C ATOM 1137 O GLN A 74 9.497 -14.046 0.400 1.00 41.31 O ATOM 1138 CB GLN A 74 10.614 -12.586 3.048 1.00 14.04 C ATOM 1139 CG GLN A 74 9.644 -11.501 3.506 1.00 44.43 C ATOM 1140 CD GLN A 74 9.044 -11.772 4.876 1.00 61.20 C ATOM 1141 OE1 GLN A 74 8.001 -12.403 4.993 1.00 50.43 O ATOM 1142 NE2 GLN A 74 9.694 -11.306 5.921 1.00 13.23 N ATOM 0 H GLN A 74 11.440 -10.498 1.955 1.00 43.21 H new ATOM 0 HA GLN A 74 11.751 -13.241 1.339 1.00 5.53 H new ATOM 0 HB2 GLN A 74 10.179 -13.562 3.262 1.00 14.04 H new ATOM 0 HB3 GLN A 74 11.531 -12.511 3.633 1.00 14.04 H new ATOM 0 HG2 GLN A 74 10.164 -10.543 3.528 1.00 44.43 H new ATOM 0 HG3 GLN A 74 8.840 -11.410 2.776 1.00 44.43 H new ATOM 0 HE21 GLN A 74 10.561 -10.784 5.791 1.00 13.23 H new ATOM 0 HE22 GLN A 74 9.331 -11.467 6.861 1.00 13.23 H new ATOM 1151 N TRP A 75 8.958 -11.862 0.312 1.00 2.41 N ATOM 1152 CA TRP A 75 7.762 -12.073 -0.518 1.00 34.04 C ATOM 1153 C TRP A 75 8.100 -12.104 -2.022 1.00 44.34 C ATOM 1154 O TRP A 75 7.203 -12.109 -2.864 1.00 31.23 O ATOM 1155 CB TRP A 75 6.712 -10.985 -0.231 1.00 42.31 C ATOM 1156 CG TRP A 75 6.139 -11.044 1.160 1.00 51.01 C ATOM 1157 CD1 TRP A 75 6.543 -11.856 2.182 1.00 2.23 C ATOM 1158 CD2 TRP A 75 5.053 -10.263 1.679 1.00 42.41 C ATOM 1159 NE1 TRP A 75 5.790 -11.620 3.302 1.00 54.54 N ATOM 1160 CE2 TRP A 75 4.863 -10.651 3.020 1.00 44.51 C ATOM 1161 CE3 TRP A 75 4.225 -9.273 1.142 1.00 13.04 C ATOM 1162 CZ2 TRP A 75 3.883 -10.083 3.830 1.00 32.42 C ATOM 1163 CZ3 TRP A 75 3.252 -8.711 1.947 1.00 53.31 C ATOM 1164 CH2 TRP A 75 3.087 -9.118 3.277 1.00 21.34 C ATOM 0 H TRP A 75 9.133 -10.887 0.554 1.00 2.41 H new ATOM 0 HA TRP A 75 7.351 -13.048 -0.254 1.00 34.04 H new ATOM 0 HB2 TRP A 75 7.166 -10.006 -0.386 1.00 42.31 H new ATOM 0 HB3 TRP A 75 5.900 -11.078 -0.952 1.00 42.31 H new ATOM 0 HD1 TRP A 75 7.342 -12.580 2.116 1.00 2.23 H new ATOM 0 HE1 TRP A 75 5.901 -12.090 4.201 1.00 54.54 H new ATOM 0 HE3 TRP A 75 4.343 -8.953 0.117 1.00 13.04 H new ATOM 0 HZ2 TRP A 75 3.756 -10.393 4.857 1.00 32.42 H new ATOM 0 HZ3 TRP A 75 2.607 -7.944 1.543 1.00 53.31 H new ATOM 0 HH2 TRP A 75 2.315 -8.660 3.878 1.00 21.34 H new ATOM 1175 N GLY A 76 9.390 -12.112 -2.356 1.00 25.15 N ATOM 1176 CA GLY A 76 9.813 -12.264 -3.751 1.00 62.55 C ATOM 1177 C GLY A 76 9.776 -10.970 -4.567 1.00 25.54 C ATOM 1178 O GLY A 76 10.753 -10.623 -5.233 1.00 24.00 O ATOM 0 H GLY A 76 10.155 -12.016 -1.688 1.00 25.15 H new ATOM 0 HA2 GLY A 76 10.828 -12.662 -3.769 1.00 62.55 H new ATOM 0 HA3 GLY A 76 9.173 -13.002 -4.234 1.00 62.55 H new ATOM 1182 N VAL A 77 8.654 -10.254 -4.516 1.00 51.30 N ATOM 1183 CA VAL A 77 8.459 -9.027 -5.303 1.00 44.11 C ATOM 1184 C VAL A 77 9.618 -8.016 -5.150 1.00 62.31 C ATOM 1185 O VAL A 77 9.967 -7.313 -6.099 1.00 53.43 O ATOM 1186 CB VAL A 77 7.121 -8.347 -4.928 1.00 10.04 C ATOM 1187 CG1 VAL A 77 5.942 -9.226 -5.343 1.00 63.41 C ATOM 1188 CG2 VAL A 77 7.068 -8.033 -3.431 1.00 43.14 C ATOM 0 H VAL A 77 7.855 -10.502 -3.932 1.00 51.30 H new ATOM 0 HA VAL A 77 8.438 -9.336 -6.348 1.00 44.11 H new ATOM 0 HB VAL A 77 7.053 -7.403 -5.469 1.00 10.04 H new ATOM 0 HG11 VAL A 77 5.008 -8.734 -5.072 1.00 63.41 H new ATOM 0 HG12 VAL A 77 5.969 -9.386 -6.421 1.00 63.41 H new ATOM 0 HG13 VAL A 77 6.007 -10.187 -4.832 1.00 63.41 H new ATOM 0 HG21 VAL A 77 6.118 -7.555 -3.193 1.00 43.14 H new ATOM 0 HG22 VAL A 77 7.162 -8.958 -2.862 1.00 43.14 H new ATOM 0 HG23 VAL A 77 7.887 -7.362 -3.171 1.00 43.14 H new ATOM 1256 N ASN A 82 11.324 -7.598 -8.575 1.00 53.44 N ATOM 1257 CA ASN A 82 10.408 -8.388 -9.405 1.00 11.54 C ATOM 1258 C ASN A 82 9.631 -7.466 -10.354 1.00 5.23 C ATOM 1259 O ASN A 82 8.907 -6.581 -9.910 1.00 24.44 O ATOM 1260 CB ASN A 82 9.437 -9.176 -8.510 1.00 2.44 C ATOM 1261 CG ASN A 82 8.397 -9.991 -9.273 1.00 61.31 C ATOM 1262 OD1 ASN A 82 8.013 -9.660 -10.384 1.00 35.01 O ATOM 1263 ND2 ASN A 82 7.915 -11.055 -8.666 1.00 42.12 N ATOM 0 HA ASN A 82 10.986 -9.094 -10.001 1.00 11.54 H new ATOM 0 HB2 ASN A 82 10.013 -9.849 -7.874 1.00 2.44 H new ATOM 0 HB3 ASN A 82 8.921 -8.478 -7.851 1.00 2.44 H new ATOM 0 HD21 ASN A 82 7.204 -11.625 -9.124 1.00 42.12 H new ATOM 0 HD22 ASN A 82 8.253 -11.310 -7.738 1.00 42.12 H new ATOM 1270 N ASN A 83 9.786 -7.689 -11.656 1.00 41.42 N ATOM 1271 CA ASN A 83 9.131 -6.874 -12.691 1.00 63.24 C ATOM 1272 C ASN A 83 7.663 -6.516 -12.353 1.00 41.35 C ATOM 1273 O ASN A 83 7.248 -5.366 -12.483 1.00 63.43 O ATOM 1274 CB ASN A 83 9.199 -7.605 -14.043 1.00 3.44 C ATOM 1275 CG ASN A 83 8.442 -8.934 -14.056 1.00 62.03 C ATOM 1276 OD1 ASN A 83 8.328 -9.587 -12.910 1.00 75.55 O flip ATOM 1277 ND2 ASN A 83 7.956 -9.370 -15.094 1.00 2.53 N flip ATOM 0 H ASN A 83 10.368 -8.439 -12.030 1.00 41.42 H new ATOM 0 HA ASN A 83 9.674 -5.930 -12.742 1.00 63.24 H new ATOM 0 HB2 ASN A 83 8.792 -6.956 -14.819 1.00 3.44 H new ATOM 0 HB3 ASN A 83 10.243 -7.788 -14.296 1.00 3.44 H new ATOM 0 HD21 ASN A 83 8.058 -8.847 -15.964 1.00 2.53 H new ATOM 0 HD22 ASN A 83 7.450 -10.255 -15.088 1.00 2.53 H new ATOM 1284 N ASN A 84 6.897 -7.488 -11.887 1.00 14.33 N ATOM 1285 CA ASN A 84 5.456 -7.313 -11.688 1.00 0.23 C ATOM 1286 C ASN A 84 5.095 -7.160 -10.194 1.00 53.45 C ATOM 1287 O ASN A 84 3.935 -7.280 -9.803 1.00 64.53 O ATOM 1288 CB ASN A 84 4.752 -8.518 -12.324 1.00 71.24 C ATOM 1289 CG ASN A 84 3.243 -8.430 -12.296 1.00 20.43 C ATOM 1290 OD1 ASN A 84 2.648 -9.029 -11.293 1.00 60.33 O flip ATOM 1291 ND2 ASN A 84 2.620 -7.849 -13.180 1.00 34.33 N flip ATOM 0 H ASN A 84 7.245 -8.413 -11.636 1.00 14.33 H new ATOM 0 HA ASN A 84 5.123 -6.391 -12.165 1.00 0.23 H new ATOM 0 HB2 ASN A 84 5.082 -8.615 -13.358 1.00 71.24 H new ATOM 0 HB3 ASN A 84 5.063 -9.424 -11.804 1.00 71.24 H new ATOM 0 HD21 ASN A 84 3.122 -7.395 -13.944 1.00 34.33 H new ATOM 0 HD22 ASN A 84 1.601 -7.820 -13.151 1.00 34.33 H new ATOM 1298 N GLY A 85 6.090 -6.844 -9.368 1.00 35.51 N ATOM 1299 CA GLY A 85 5.873 -6.751 -7.926 1.00 21.51 C ATOM 1300 C GLY A 85 5.670 -5.323 -7.411 1.00 31.24 C ATOM 1301 O GLY A 85 6.336 -4.389 -7.861 1.00 44.24 O ATOM 0 H GLY A 85 7.045 -6.650 -9.668 1.00 35.51 H new ATOM 0 HA2 GLY A 85 5.000 -7.348 -7.662 1.00 21.51 H new ATOM 0 HA3 GLY A 85 6.727 -7.192 -7.412 1.00 21.51 H new ATOM 1305 N LEU A 86 4.748 -5.167 -6.458 1.00 13.12 N ATOM 1306 CA LEU A 86 4.480 -3.872 -5.815 1.00 50.25 C ATOM 1307 C LEU A 86 4.144 -4.059 -4.327 1.00 65.41 C ATOM 1308 O LEU A 86 3.358 -4.934 -3.967 1.00 24.14 O ATOM 1309 CB LEU A 86 3.316 -3.159 -6.522 1.00 74.12 C ATOM 1310 CG LEU A 86 2.949 -1.763 -5.975 1.00 50.25 C ATOM 1311 CD1 LEU A 86 4.147 -0.816 -6.044 1.00 23.33 C ATOM 1312 CD2 LEU A 86 1.765 -1.178 -6.745 1.00 13.52 C ATOM 0 H LEU A 86 4.167 -5.929 -6.109 1.00 13.12 H new ATOM 0 HA LEU A 86 5.379 -3.262 -5.895 1.00 50.25 H new ATOM 0 HB2 LEU A 86 3.564 -3.060 -7.579 1.00 74.12 H new ATOM 0 HB3 LEU A 86 2.434 -3.796 -6.460 1.00 74.12 H new ATOM 0 HG LEU A 86 2.663 -1.876 -4.929 1.00 50.25 H new ATOM 0 HD11 LEU A 86 3.862 0.161 -5.653 1.00 23.33 H new ATOM 0 HD12 LEU A 86 4.965 -1.221 -5.449 1.00 23.33 H new ATOM 0 HD13 LEU A 86 4.469 -0.712 -7.080 1.00 23.33 H new ATOM 0 HD21 LEU A 86 1.521 -0.194 -6.345 1.00 13.52 H new ATOM 0 HD22 LEU A 86 2.026 -1.087 -7.799 1.00 13.52 H new ATOM 0 HD23 LEU A 86 0.902 -1.836 -6.641 1.00 13.52 H new ATOM 1324 N LEU A 87 4.734 -3.232 -3.464 1.00 52.31 N ATOM 1325 CA LEU A 87 4.469 -3.304 -2.017 1.00 4.11 C ATOM 1326 C LEU A 87 4.017 -1.946 -1.451 1.00 72.14 C ATOM 1327 O LEU A 87 4.536 -0.893 -1.832 1.00 1.31 O ATOM 1328 CB LEU A 87 5.724 -3.789 -1.272 1.00 0.53 C ATOM 1329 CG LEU A 87 5.562 -3.963 0.250 1.00 42.41 C ATOM 1330 CD1 LEU A 87 4.518 -5.029 0.573 1.00 52.23 C ATOM 1331 CD2 LEU A 87 6.901 -4.305 0.900 1.00 72.20 C ATOM 0 H LEU A 87 5.397 -2.505 -3.735 1.00 52.31 H new ATOM 0 HA LEU A 87 3.657 -4.016 -1.866 1.00 4.11 H new ATOM 0 HB2 LEU A 87 6.033 -4.743 -1.699 1.00 0.53 H new ATOM 0 HB3 LEU A 87 6.532 -3.081 -1.456 1.00 0.53 H new ATOM 0 HG LEU A 87 5.213 -3.016 0.661 1.00 42.41 H new ATOM 0 HD11 LEU A 87 4.424 -5.131 1.654 1.00 52.23 H new ATOM 0 HD12 LEU A 87 3.556 -4.736 0.151 1.00 52.23 H new ATOM 0 HD13 LEU A 87 4.827 -5.982 0.144 1.00 52.23 H new ATOM 0 HD21 LEU A 87 6.764 -4.424 1.975 1.00 72.20 H new ATOM 0 HD22 LEU A 87 7.283 -5.235 0.478 1.00 72.20 H new ATOM 0 HD23 LEU A 87 7.613 -3.501 0.711 1.00 72.20 H new ATOM 1343 N LEU A 88 3.046 -1.988 -0.540 1.00 3.12 N ATOM 1344 CA LEU A 88 2.551 -0.790 0.148 1.00 44.24 C ATOM 1345 C LEU A 88 2.346 -1.075 1.645 1.00 23.24 C ATOM 1346 O LEU A 88 1.427 -1.795 2.032 1.00 34.14 O ATOM 1347 CB LEU A 88 1.233 -0.316 -0.487 1.00 63.33 C ATOM 1348 CG LEU A 88 0.565 0.893 0.196 1.00 32.45 C ATOM 1349 CD1 LEU A 88 1.496 2.105 0.189 1.00 52.30 C ATOM 1350 CD2 LEU A 88 -0.762 1.231 -0.482 1.00 53.02 C ATOM 0 H LEU A 88 2.579 -2.850 -0.256 1.00 3.12 H new ATOM 0 HA LEU A 88 3.295 -0.000 0.043 1.00 44.24 H new ATOM 0 HB2 LEU A 88 1.423 -0.063 -1.530 1.00 63.33 H new ATOM 0 HB3 LEU A 88 0.529 -1.148 -0.484 1.00 63.33 H new ATOM 0 HG LEU A 88 0.362 0.626 1.233 1.00 32.45 H new ATOM 0 HD11 LEU A 88 1.002 2.946 0.676 1.00 52.30 H new ATOM 0 HD12 LEU A 88 2.413 1.862 0.725 1.00 52.30 H new ATOM 0 HD13 LEU A 88 1.737 2.373 -0.840 1.00 52.30 H new ATOM 0 HD21 LEU A 88 -1.217 2.087 0.016 1.00 53.02 H new ATOM 0 HD22 LEU A 88 -0.584 1.473 -1.530 1.00 53.02 H new ATOM 0 HD23 LEU A 88 -1.433 0.374 -0.416 1.00 53.02 H new ATOM 1362 N VAL A 89 3.215 -0.515 2.483 1.00 1.03 N ATOM 1363 CA VAL A 89 3.150 -0.749 3.932 1.00 43.32 C ATOM 1364 C VAL A 89 2.764 0.524 4.703 1.00 73.05 C ATOM 1365 O VAL A 89 3.418 1.560 4.578 1.00 21.01 O ATOM 1366 CB VAL A 89 4.504 -1.278 4.476 1.00 4.43 C ATOM 1367 CG1 VAL A 89 4.420 -1.555 5.980 1.00 1.32 C ATOM 1368 CG2 VAL A 89 4.939 -2.533 3.718 1.00 31.54 C ATOM 0 H VAL A 89 3.972 0.103 2.190 1.00 1.03 H new ATOM 0 HA VAL A 89 2.376 -1.501 4.088 1.00 43.32 H new ATOM 0 HB VAL A 89 5.256 -0.505 4.317 1.00 4.43 H new ATOM 0 HG11 VAL A 89 5.382 -1.925 6.336 1.00 1.32 H new ATOM 0 HG12 VAL A 89 4.168 -0.634 6.506 1.00 1.32 H new ATOM 0 HG13 VAL A 89 3.651 -2.304 6.170 1.00 1.32 H new ATOM 0 HG21 VAL A 89 5.890 -2.887 4.116 1.00 31.54 H new ATOM 0 HG22 VAL A 89 4.184 -3.310 3.838 1.00 31.54 H new ATOM 0 HG23 VAL A 89 5.053 -2.298 2.660 1.00 31.54 H new ATOM 1378 N LEU A 90 1.693 0.434 5.494 1.00 21.34 N ATOM 1379 CA LEU A 90 1.280 1.530 6.379 1.00 41.32 C ATOM 1380 C LEU A 90 1.828 1.330 7.797 1.00 23.03 C ATOM 1381 O LEU A 90 1.455 0.381 8.494 1.00 55.32 O ATOM 1382 CB LEU A 90 -0.253 1.642 6.439 1.00 11.35 C ATOM 1383 CG LEU A 90 -0.790 2.621 7.505 1.00 60.33 C ATOM 1384 CD1 LEU A 90 -0.473 4.071 7.154 1.00 21.23 C ATOM 1385 CD2 LEU A 90 -2.287 2.429 7.723 1.00 21.34 C ATOM 0 H LEU A 90 1.093 -0.389 5.541 1.00 21.34 H new ATOM 0 HA LEU A 90 1.690 2.451 5.965 1.00 41.32 H new ATOM 0 HB2 LEU A 90 -0.619 1.955 5.461 1.00 11.35 H new ATOM 0 HB3 LEU A 90 -0.668 0.653 6.633 1.00 11.35 H new ATOM 0 HG LEU A 90 -0.278 2.392 8.440 1.00 60.33 H new ATOM 0 HD11 LEU A 90 -0.868 4.728 7.929 1.00 21.23 H new ATOM 0 HD12 LEU A 90 0.607 4.201 7.084 1.00 21.23 H new ATOM 0 HD13 LEU A 90 -0.931 4.322 6.197 1.00 21.23 H new ATOM 0 HD21 LEU A 90 -2.638 3.132 8.479 1.00 21.34 H new ATOM 0 HD22 LEU A 90 -2.817 2.608 6.787 1.00 21.34 H new ATOM 0 HD23 LEU A 90 -2.478 1.410 8.059 1.00 21.34 H new ATOM 1397 N VAL A 91 2.708 2.228 8.223 1.00 44.30 N ATOM 1398 CA VAL A 91 3.260 2.186 9.576 1.00 70.55 C ATOM 1399 C VAL A 91 2.550 3.191 10.495 1.00 15.01 C ATOM 1400 O VAL A 91 2.906 4.371 10.538 1.00 70.04 O ATOM 1401 CB VAL A 91 4.784 2.473 9.561 1.00 2.44 C ATOM 1402 CG1 VAL A 91 5.351 2.530 10.976 1.00 61.43 C ATOM 1403 CG2 VAL A 91 5.514 1.422 8.726 1.00 53.53 C ATOM 0 H VAL A 91 3.057 2.997 7.651 1.00 44.30 H new ATOM 0 HA VAL A 91 3.095 1.182 9.966 1.00 70.55 H new ATOM 0 HB VAL A 91 4.940 3.450 9.104 1.00 2.44 H new ATOM 0 HG11 VAL A 91 6.421 2.733 10.931 1.00 61.43 H new ATOM 0 HG12 VAL A 91 4.855 3.323 11.535 1.00 61.43 H new ATOM 0 HG13 VAL A 91 5.183 1.575 11.474 1.00 61.43 H new ATOM 0 HG21 VAL A 91 6.583 1.636 8.725 1.00 53.53 H new ATOM 0 HG22 VAL A 91 5.343 0.434 9.154 1.00 53.53 H new ATOM 0 HG23 VAL A 91 5.138 1.445 7.703 1.00 53.53 H new ATOM 1413 N LEU A 92 1.529 2.720 11.216 1.00 74.12 N ATOM 1414 CA LEU A 92 0.780 3.565 12.160 1.00 42.40 C ATOM 1415 C LEU A 92 1.702 4.127 13.262 1.00 13.52 C ATOM 1416 O LEU A 92 1.457 5.207 13.799 1.00 35.03 O ATOM 1417 CB LEU A 92 -0.386 2.768 12.774 1.00 51.40 C ATOM 1418 CG LEU A 92 -1.163 3.473 13.897 1.00 11.31 C ATOM 1419 CD1 LEU A 92 -1.787 4.774 13.395 1.00 22.32 C ATOM 1420 CD2 LEU A 92 -2.234 2.545 14.472 1.00 11.41 C ATOM 0 H LEU A 92 1.199 1.756 11.166 1.00 74.12 H new ATOM 0 HA LEU A 92 0.373 4.413 11.610 1.00 42.40 H new ATOM 0 HB2 LEU A 92 -1.086 2.514 11.978 1.00 51.40 H new ATOM 0 HB3 LEU A 92 0.007 1.829 13.164 1.00 51.40 H new ATOM 0 HG LEU A 92 -0.461 3.722 14.693 1.00 11.31 H new ATOM 0 HD11 LEU A 92 -2.331 5.254 14.208 1.00 22.32 H new ATOM 0 HD12 LEU A 92 -1.001 5.441 13.041 1.00 22.32 H new ATOM 0 HD13 LEU A 92 -2.474 4.556 12.577 1.00 22.32 H new ATOM 0 HD21 LEU A 92 -2.774 3.061 15.266 1.00 11.41 H new ATOM 0 HD22 LEU A 92 -2.931 2.261 13.684 1.00 11.41 H new ATOM 0 HD23 LEU A 92 -1.761 1.650 14.877 1.00 11.41 H new ATOM 1432 N ASP A 93 2.776 3.394 13.563 1.00 1.34 N ATOM 1433 CA ASP A 93 3.809 3.843 14.512 1.00 41.33 C ATOM 1434 C ASP A 93 4.318 5.250 14.139 1.00 5.24 C ATOM 1435 O ASP A 93 4.643 6.073 14.998 1.00 33.54 O ATOM 1436 CB ASP A 93 4.975 2.840 14.485 1.00 65.42 C ATOM 1437 CG ASP A 93 5.754 2.761 15.789 1.00 54.12 C ATOM 1438 OD1 ASP A 93 5.351 3.407 16.775 1.00 23.55 O ATOM 1439 OD2 ASP A 93 6.749 2.008 15.834 1.00 63.55 O ATOM 0 H ASP A 93 2.958 2.475 13.160 1.00 1.34 H new ATOM 0 HA ASP A 93 3.381 3.892 15.513 1.00 41.33 H new ATOM 0 HB2 ASP A 93 4.584 1.851 14.247 1.00 65.42 H new ATOM 0 HB3 ASP A 93 5.658 3.115 13.682 1.00 65.42 H new ATOM 1444 N GLN A 94 4.379 5.501 12.834 1.00 53.24 N ATOM 1445 CA GLN A 94 4.815 6.790 12.290 1.00 34.25 C ATOM 1446 C GLN A 94 3.708 7.425 11.428 1.00 22.23 C ATOM 1447 O GLN A 94 3.930 8.445 10.777 1.00 5.53 O ATOM 1448 CB GLN A 94 6.090 6.582 11.458 1.00 22.40 C ATOM 1449 CG GLN A 94 7.278 6.070 12.273 1.00 50.15 C ATOM 1450 CD GLN A 94 8.436 5.605 11.406 1.00 43.44 C ATOM 1451 OE1 GLN A 94 8.623 6.080 10.291 1.00 53.34 O ATOM 1452 NE2 GLN A 94 9.227 4.683 11.913 1.00 71.34 N ATOM 0 H GLN A 94 4.128 4.817 12.120 1.00 53.24 H new ATOM 0 HA GLN A 94 5.026 7.471 13.115 1.00 34.25 H new ATOM 0 HB2 GLN A 94 5.879 5.875 10.656 1.00 22.40 H new ATOM 0 HB3 GLN A 94 6.364 7.526 10.986 1.00 22.40 H new ATOM 0 HG2 GLN A 94 7.624 6.862 12.938 1.00 50.15 H new ATOM 0 HG3 GLN A 94 6.950 5.244 12.904 1.00 50.15 H new ATOM 0 HE21 GLN A 94 9.043 4.309 12.844 1.00 71.34 H new ATOM 0 HE22 GLN A 94 10.024 4.343 11.375 1.00 71.34 H new ATOM 1461 N ARG A 95 2.514 6.814 11.471 1.00 43.34 N ATOM 1462 CA ARG A 95 1.344 7.201 10.654 1.00 4.52 C ATOM 1463 C ARG A 95 1.714 7.674 9.234 1.00 51.02 C ATOM 1464 O ARG A 95 1.288 8.736 8.780 1.00 70.15 O ATOM 1465 CB ARG A 95 0.469 8.240 11.383 1.00 34.45 C ATOM 1466 CG ARG A 95 1.186 9.521 11.797 1.00 15.03 C ATOM 1467 CD ARG A 95 0.232 10.491 12.487 1.00 44.51 C ATOM 1468 NE ARG A 95 0.908 11.707 12.926 1.00 15.34 N ATOM 1469 CZ ARG A 95 0.309 12.715 13.498 1.00 20.32 C ATOM 1470 NH1 ARG A 95 -0.968 12.696 13.714 1.00 21.32 N ATOM 1471 NH2 ARG A 95 0.996 13.752 13.853 1.00 21.33 N ATOM 0 H ARG A 95 2.327 6.021 12.085 1.00 43.34 H new ATOM 0 HA ARG A 95 0.758 6.292 10.522 1.00 4.52 H new ATOM 0 HB2 ARG A 95 -0.367 8.504 10.736 1.00 34.45 H new ATOM 0 HB3 ARG A 95 0.048 7.775 12.274 1.00 34.45 H new ATOM 0 HG2 ARG A 95 2.010 9.279 12.468 1.00 15.03 H new ATOM 0 HG3 ARG A 95 1.620 9.998 10.918 1.00 15.03 H new ATOM 0 HD2 ARG A 95 -0.576 10.752 11.803 1.00 44.51 H new ATOM 0 HD3 ARG A 95 -0.224 10.000 13.347 1.00 44.51 H new ATOM 0 HE ARG A 95 1.915 11.773 12.776 1.00 15.34 H new ATOM 0 HH11 ARG A 95 -1.520 11.885 13.436 1.00 21.32 H new ATOM 0 HH12 ARG A 95 -1.421 13.492 14.162 1.00 21.32 H new ATOM 0 HH21 ARG A 95 2.002 13.779 13.685 1.00 21.33 H new ATOM 0 HH22 ARG A 95 0.532 14.542 14.301 1.00 21.33 H new ATOM 1485 N ARG A 96 2.490 6.850 8.530 1.00 61.20 N ATOM 1486 CA ARG A 96 2.882 7.132 7.143 1.00 4.14 C ATOM 1487 C ARG A 96 3.173 5.829 6.379 1.00 13.43 C ATOM 1488 O ARG A 96 3.385 4.777 6.986 1.00 14.12 O ATOM 1489 CB ARG A 96 4.104 8.065 7.102 1.00 0.24 C ATOM 1490 CG ARG A 96 5.339 7.521 7.820 1.00 24.40 C ATOM 1491 CD ARG A 96 6.466 8.551 7.850 1.00 53.45 C ATOM 1492 NE ARG A 96 7.663 8.048 8.520 1.00 23.24 N ATOM 1493 CZ ARG A 96 8.786 8.708 8.606 1.00 34.01 C ATOM 1494 NH1 ARG A 96 8.895 9.896 8.103 1.00 24.24 N ATOM 1495 NH2 ARG A 96 9.798 8.178 9.207 1.00 1.34 N ATOM 0 H ARG A 96 2.863 5.975 8.898 1.00 61.20 H new ATOM 0 HA ARG A 96 2.048 7.635 6.653 1.00 4.14 H new ATOM 0 HB2 ARG A 96 4.361 8.261 6.061 1.00 0.24 H new ATOM 0 HB3 ARG A 96 3.831 9.021 7.549 1.00 0.24 H new ATOM 0 HG2 ARG A 96 5.074 7.239 8.839 1.00 24.40 H new ATOM 0 HG3 ARG A 96 5.684 6.617 7.319 1.00 24.40 H new ATOM 0 HD2 ARG A 96 6.718 8.839 6.830 1.00 53.45 H new ATOM 0 HD3 ARG A 96 6.119 9.450 8.359 1.00 53.45 H new ATOM 0 HE ARG A 96 7.618 7.123 8.947 1.00 23.24 H new ATOM 0 HH11 ARG A 96 8.098 10.326 7.633 1.00 24.24 H new ATOM 0 HH12 ARG A 96 9.778 10.402 8.176 1.00 24.24 H new ATOM 0 HH21 ARG A 96 9.719 7.246 9.613 1.00 1.34 H new ATOM 0 HH22 ARG A 96 10.677 8.691 9.276 1.00 1.34 H new ATOM 1509 N VAL A 97 3.182 5.904 5.047 1.00 34.34 N ATOM 1510 CA VAL A 97 3.359 4.713 4.202 1.00 52.35 C ATOM 1511 C VAL A 97 4.548 4.857 3.237 1.00 63.25 C ATOM 1512 O VAL A 97 5.155 5.926 3.122 1.00 55.12 O ATOM 1513 CB VAL A 97 2.091 4.415 3.359 1.00 71.44 C ATOM 1514 CG1 VAL A 97 0.843 4.418 4.222 1.00 74.24 C ATOM 1515 CG2 VAL A 97 1.951 5.406 2.205 1.00 24.52 C ATOM 0 H VAL A 97 3.069 6.774 4.527 1.00 34.34 H new ATOM 0 HA VAL A 97 3.549 3.891 4.892 1.00 52.35 H new ATOM 0 HB VAL A 97 2.206 3.417 2.937 1.00 71.44 H new ATOM 0 HG11 VAL A 97 -0.028 4.206 3.602 1.00 74.24 H new ATOM 0 HG12 VAL A 97 0.933 3.654 4.995 1.00 74.24 H new ATOM 0 HG13 VAL A 97 0.726 5.396 4.690 1.00 74.24 H new ATOM 0 HG21 VAL A 97 1.054 5.173 1.632 1.00 24.52 H new ATOM 0 HG22 VAL A 97 1.875 6.418 2.602 1.00 24.52 H new ATOM 0 HG23 VAL A 97 2.824 5.335 1.557 1.00 24.52 H new ATOM 1525 N ARG A 98 4.872 3.765 2.549 1.00 35.20 N ATOM 1526 CA ARG A 98 5.866 3.790 1.473 1.00 42.32 C ATOM 1527 C ARG A 98 5.517 2.779 0.370 1.00 42.40 C ATOM 1528 O ARG A 98 5.102 1.653 0.657 1.00 34.43 O ATOM 1529 CB ARG A 98 7.269 3.475 2.011 1.00 53.34 C ATOM 1530 CG ARG A 98 8.361 3.628 0.955 1.00 42.22 C ATOM 1531 CD ARG A 98 9.685 3.016 1.394 1.00 4.01 C ATOM 1532 NE ARG A 98 10.730 3.218 0.393 1.00 73.41 N ATOM 1533 CZ ARG A 98 11.031 2.364 -0.550 1.00 24.22 C ATOM 1534 NH1 ARG A 98 10.391 1.244 -0.657 1.00 75.04 N ATOM 1535 NH2 ARG A 98 11.975 2.642 -1.390 1.00 34.03 N ATOM 0 H ARG A 98 4.460 2.847 2.717 1.00 35.20 H new ATOM 0 HA ARG A 98 5.857 4.796 1.054 1.00 42.32 H new ATOM 0 HB2 ARG A 98 7.487 4.136 2.850 1.00 53.34 H new ATOM 0 HB3 ARG A 98 7.284 2.455 2.396 1.00 53.34 H new ATOM 0 HG2 ARG A 98 8.035 3.155 0.029 1.00 42.22 H new ATOM 0 HG3 ARG A 98 8.507 4.686 0.739 1.00 42.22 H new ATOM 0 HD2 ARG A 98 9.996 3.460 2.340 1.00 4.01 H new ATOM 0 HD3 ARG A 98 9.552 1.949 1.571 1.00 4.01 H new ATOM 0 HE ARG A 98 11.263 4.087 0.433 1.00 73.41 H new ATOM 0 HH11 ARG A 98 9.643 1.020 -0.001 1.00 75.04 H new ATOM 0 HH12 ARG A 98 10.635 0.586 -1.397 1.00 75.04 H new ATOM 0 HH21 ARG A 98 12.481 3.524 -1.315 1.00 34.03 H new ATOM 0 HH22 ARG A 98 12.213 1.979 -2.127 1.00 34.03 H new ATOM 1549 N PHE A 99 5.684 3.187 -0.887 1.00 10.11 N ATOM 1550 CA PHE A 99 5.523 2.280 -2.032 1.00 52.41 C ATOM 1551 C PHE A 99 6.860 1.620 -2.407 1.00 32.41 C ATOM 1552 O PHE A 99 7.930 2.185 -2.186 1.00 34.34 O ATOM 1553 CB PHE A 99 4.966 3.030 -3.253 1.00 61.41 C ATOM 1554 CG PHE A 99 3.499 3.372 -3.160 1.00 74.20 C ATOM 1555 CD1 PHE A 99 2.537 2.466 -3.585 1.00 42.22 C ATOM 1556 CD2 PHE A 99 3.084 4.595 -2.656 1.00 35.42 C ATOM 1557 CE1 PHE A 99 1.193 2.777 -3.515 1.00 44.23 C ATOM 1558 CE2 PHE A 99 1.740 4.910 -2.582 1.00 10.54 C ATOM 1559 CZ PHE A 99 0.794 4.000 -3.011 1.00 45.03 C ATOM 0 H PHE A 99 5.932 4.143 -1.143 1.00 10.11 H new ATOM 0 HA PHE A 99 4.816 1.505 -1.735 1.00 52.41 H new ATOM 0 HB2 PHE A 99 5.533 3.951 -3.388 1.00 61.41 H new ATOM 0 HB3 PHE A 99 5.129 2.422 -4.143 1.00 61.41 H new ATOM 0 HD1 PHE A 99 2.843 1.507 -3.975 1.00 42.22 H new ATOM 0 HD2 PHE A 99 3.819 5.310 -2.317 1.00 35.42 H new ATOM 0 HE1 PHE A 99 0.455 2.065 -3.854 1.00 44.23 H new ATOM 0 HE2 PHE A 99 1.430 5.867 -2.189 1.00 10.54 H new ATOM 0 HZ PHE A 99 -0.256 4.244 -2.953 1.00 45.03 H new ATOM 1569 N GLU A 100 6.786 0.421 -2.968 1.00 70.05 N ATOM 1570 CA GLU A 100 7.975 -0.301 -3.436 1.00 54.30 C ATOM 1571 C GLU A 100 7.706 -0.960 -4.798 1.00 4.20 C ATOM 1572 O GLU A 100 6.893 -1.881 -4.904 1.00 42.43 O ATOM 1573 CB GLU A 100 8.384 -1.351 -2.390 1.00 42.43 C ATOM 1574 CG GLU A 100 9.527 -2.270 -2.821 1.00 22.20 C ATOM 1575 CD GLU A 100 10.808 -1.518 -3.152 1.00 64.42 C ATOM 1576 OE1 GLU A 100 11.316 -0.789 -2.274 1.00 11.45 O ATOM 1577 OE2 GLU A 100 11.303 -1.638 -4.289 1.00 31.23 O ATOM 0 H GLU A 100 5.910 -0.081 -3.114 1.00 70.05 H new ATOM 0 HA GLU A 100 8.795 0.406 -3.565 1.00 54.30 H new ATOM 0 HB2 GLU A 100 8.675 -0.837 -1.474 1.00 42.43 H new ATOM 0 HB3 GLU A 100 7.515 -1.963 -2.150 1.00 42.43 H new ATOM 0 HG2 GLU A 100 9.729 -2.986 -2.024 1.00 22.20 H new ATOM 0 HG3 GLU A 100 9.214 -2.844 -3.693 1.00 22.20 H new ATOM 1584 N THR A 101 8.383 -0.469 -5.840 1.00 73.02 N ATOM 1585 CA THR A 101 8.190 -0.971 -7.209 1.00 62.31 C ATOM 1586 C THR A 101 9.273 -1.958 -7.627 1.00 73.13 C ATOM 1587 O THR A 101 10.461 -1.744 -7.387 1.00 41.12 O ATOM 1588 CB THR A 101 8.180 0.170 -8.260 1.00 33.41 C ATOM 1589 OG1 THR A 101 9.248 1.098 -8.011 1.00 72.21 O ATOM 1590 CG2 THR A 101 6.845 0.902 -8.273 1.00 25.22 C ATOM 0 H THR A 101 9.073 0.279 -5.764 1.00 73.02 H new ATOM 0 HA THR A 101 7.221 -1.469 -7.185 1.00 62.31 H new ATOM 0 HB THR A 101 8.328 -0.285 -9.239 1.00 33.41 H new ATOM 0 HG1 THR A 101 9.788 1.201 -8.822 1.00 72.21 H new ATOM 0 HG21 THR A 101 6.872 1.695 -9.020 1.00 25.22 H new ATOM 0 HG22 THR A 101 6.048 0.200 -8.517 1.00 25.22 H new ATOM 0 HG23 THR A 101 6.658 1.336 -7.291 1.00 25.22 H new ATOM 1598 N GLY A 102 8.853 -3.040 -8.264 1.00 14.15 N ATOM 1599 CA GLY A 102 9.797 -3.922 -8.921 1.00 20.55 C ATOM 1600 C GLY A 102 10.285 -3.356 -10.243 1.00 50.43 C ATOM 1601 O GLY A 102 9.873 -2.274 -10.664 1.00 10.01 O ATOM 0 H GLY A 102 7.876 -3.324 -8.338 1.00 14.15 H new ATOM 0 HA2 GLY A 102 10.650 -4.093 -8.264 1.00 20.55 H new ATOM 0 HA3 GLY A 102 9.328 -4.891 -9.093 1.00 20.55 H new ATOM 1605 N TYR A 103 11.132 -4.110 -10.917 1.00 50.45 N ATOM 1606 CA TYR A 103 11.795 -3.648 -12.135 1.00 51.51 C ATOM 1607 C TYR A 103 10.812 -3.328 -13.284 1.00 53.05 C ATOM 1608 O TYR A 103 11.154 -2.601 -14.217 1.00 73.02 O ATOM 1609 CB TYR A 103 12.800 -4.721 -12.570 1.00 43.10 C ATOM 1610 CG TYR A 103 13.500 -4.413 -13.868 1.00 61.20 C ATOM 1611 CD1 TYR A 103 14.521 -3.480 -13.917 1.00 3.43 C ATOM 1612 CD2 TYR A 103 13.130 -5.052 -15.042 1.00 14.01 C ATOM 1613 CE1 TYR A 103 15.161 -3.190 -15.107 1.00 51.31 C ATOM 1614 CE2 TYR A 103 13.762 -4.773 -16.235 1.00 53.22 C ATOM 1615 CZ TYR A 103 14.778 -3.837 -16.264 1.00 21.33 C ATOM 1616 OH TYR A 103 15.413 -3.544 -17.453 1.00 52.00 O ATOM 0 H TYR A 103 11.384 -5.059 -10.642 1.00 50.45 H new ATOM 0 HA TYR A 103 12.299 -2.708 -11.910 1.00 51.51 H new ATOM 0 HB2 TYR A 103 13.547 -4.844 -11.786 1.00 43.10 H new ATOM 0 HB3 TYR A 103 12.280 -5.674 -12.667 1.00 43.10 H new ATOM 0 HD1 TYR A 103 14.822 -2.972 -13.013 1.00 3.43 H new ATOM 0 HD2 TYR A 103 12.333 -5.781 -15.021 1.00 14.01 H new ATOM 0 HE1 TYR A 103 15.957 -2.461 -15.131 1.00 51.31 H new ATOM 0 HE2 TYR A 103 13.465 -5.282 -17.140 1.00 53.22 H new ATOM 0 HH TYR A 103 15.027 -4.086 -18.172 1.00 52.00 H new ATOM 1626 N GLY A 104 9.591 -3.843 -13.204 1.00 43.31 N ATOM 1627 CA GLY A 104 8.644 -3.696 -14.307 1.00 60.31 C ATOM 1628 C GLY A 104 7.830 -2.415 -14.211 1.00 52.04 C ATOM 1629 O GLY A 104 7.594 -1.730 -15.208 1.00 3.22 O ATOM 0 H GLY A 104 9.235 -4.359 -12.400 1.00 43.31 H new ATOM 0 HA2 GLY A 104 9.188 -3.707 -15.252 1.00 60.31 H new ATOM 0 HA3 GLY A 104 7.969 -4.552 -14.318 1.00 60.31 H new ATOM 1633 N LEU A 105 7.413 -2.086 -12.993 1.00 13.25 N ATOM 1634 CA LEU A 105 6.565 -0.918 -12.749 1.00 30.52 C ATOM 1635 C LEU A 105 7.315 0.405 -12.979 1.00 64.41 C ATOM 1636 O LEU A 105 6.715 1.478 -12.956 1.00 62.03 O ATOM 1637 CB LEU A 105 5.988 -0.982 -11.331 1.00 32.31 C ATOM 1638 CG LEU A 105 5.094 -2.205 -11.051 1.00 0.51 C ATOM 1639 CD1 LEU A 105 4.610 -2.205 -9.607 1.00 54.32 C ATOM 1640 CD2 LEU A 105 3.910 -2.249 -12.019 1.00 51.15 C ATOM 0 H LEU A 105 7.649 -2.614 -12.153 1.00 13.25 H new ATOM 0 HA LEU A 105 5.748 -0.942 -13.470 1.00 30.52 H new ATOM 0 HB2 LEU A 105 6.813 -0.982 -10.618 1.00 32.31 H new ATOM 0 HB3 LEU A 105 5.409 -0.077 -11.149 1.00 32.31 H new ATOM 0 HG LEU A 105 5.693 -3.102 -11.208 1.00 0.51 H new ATOM 0 HD11 LEU A 105 3.981 -3.078 -9.434 1.00 54.32 H new ATOM 0 HD12 LEU A 105 5.468 -2.237 -8.936 1.00 54.32 H new ATOM 0 HD13 LEU A 105 4.034 -1.299 -9.416 1.00 54.32 H new ATOM 0 HD21 LEU A 105 3.294 -3.121 -11.801 1.00 51.15 H new ATOM 0 HD22 LEU A 105 3.312 -1.345 -11.904 1.00 51.15 H new ATOM 0 HD23 LEU A 105 4.279 -2.312 -13.043 1.00 51.15 H new ATOM 1652 N GLU A 106 8.623 0.317 -13.220 1.00 74.32 N ATOM 1653 CA GLU A 106 9.429 1.484 -13.603 1.00 11.13 C ATOM 1654 C GLU A 106 8.886 2.128 -14.894 1.00 13.34 C ATOM 1655 O GLU A 106 9.104 3.313 -15.159 1.00 15.41 O ATOM 1656 CB GLU A 106 10.897 1.068 -13.798 1.00 12.32 C ATOM 1657 CG GLU A 106 11.540 0.442 -12.561 1.00 14.30 C ATOM 1658 CD GLU A 106 11.708 1.425 -11.410 1.00 33.20 C ATOM 1659 OE1 GLU A 106 12.678 2.216 -11.437 1.00 52.43 O ATOM 1660 OE2 GLU A 106 10.878 1.411 -10.475 1.00 21.21 O ATOM 0 H GLU A 106 9.152 -0.553 -13.157 1.00 74.32 H new ATOM 0 HA GLU A 106 9.368 2.221 -12.802 1.00 11.13 H new ATOM 0 HB2 GLU A 106 10.955 0.358 -14.623 1.00 12.32 H new ATOM 0 HB3 GLU A 106 11.476 1.944 -14.090 1.00 12.32 H new ATOM 0 HG2 GLU A 106 10.930 -0.397 -12.227 1.00 14.30 H new ATOM 0 HG3 GLU A 106 12.516 0.039 -12.831 1.00 14.30 H new ATOM 1667 N GLY A 107 8.179 1.330 -15.696 1.00 34.03 N ATOM 1668 CA GLY A 107 7.555 1.834 -16.917 1.00 20.53 C ATOM 1669 C GLY A 107 6.058 2.096 -16.764 1.00 50.44 C ATOM 1670 O GLY A 107 5.319 2.105 -17.750 1.00 74.41 O ATOM 0 H GLY A 107 8.026 0.337 -15.522 1.00 34.03 H new ATOM 0 HA2 GLY A 107 8.050 2.758 -17.216 1.00 20.53 H new ATOM 0 HA3 GLY A 107 7.711 1.114 -17.721 1.00 20.53 H new ATOM 1674 N TYR A 108 5.606 2.295 -15.522 1.00 52.55 N ATOM 1675 CA TYR A 108 4.190 2.599 -15.234 1.00 42.42 C ATOM 1676 C TYR A 108 4.069 3.635 -14.107 1.00 23.12 C ATOM 1677 O TYR A 108 3.472 4.699 -14.278 1.00 70.13 O ATOM 1678 CB TYR A 108 3.423 1.330 -14.815 1.00 11.40 C ATOM 1679 CG TYR A 108 3.478 0.189 -15.813 1.00 71.25 C ATOM 1680 CD1 TYR A 108 2.784 0.251 -17.018 1.00 74.05 C ATOM 1681 CD2 TYR A 108 4.220 -0.956 -15.545 1.00 55.43 C ATOM 1682 CE1 TYR A 108 2.832 -0.793 -17.923 1.00 62.10 C ATOM 1683 CE2 TYR A 108 4.269 -2.004 -16.443 1.00 21.24 C ATOM 1684 CZ TYR A 108 3.576 -1.917 -17.629 1.00 23.11 C ATOM 1685 OH TYR A 108 3.623 -2.965 -18.523 1.00 22.53 O ATOM 0 H TYR A 108 6.199 2.252 -14.693 1.00 52.55 H new ATOM 0 HA TYR A 108 3.758 3.000 -16.151 1.00 42.42 H new ATOM 0 HB2 TYR A 108 3.822 0.980 -13.863 1.00 11.40 H new ATOM 0 HB3 TYR A 108 2.379 1.594 -14.645 1.00 11.40 H new ATOM 0 HD1 TYR A 108 2.199 1.129 -17.250 1.00 74.05 H new ATOM 0 HD2 TYR A 108 4.768 -1.027 -14.617 1.00 55.43 H new ATOM 0 HE1 TYR A 108 2.290 -0.729 -18.855 1.00 62.10 H new ATOM 0 HE2 TYR A 108 4.848 -2.887 -16.216 1.00 21.24 H new ATOM 0 HH TYR A 108 4.192 -3.677 -18.163 1.00 22.53 H new ATOM 1695 N LEU A 109 4.647 3.300 -12.953 1.00 75.23 N ATOM 1696 CA LEU A 109 4.537 4.111 -11.734 1.00 32.41 C ATOM 1697 C LEU A 109 5.895 4.717 -11.329 1.00 31.31 C ATOM 1698 O LEU A 109 6.681 4.077 -10.625 1.00 60.52 O ATOM 1699 CB LEU A 109 4.020 3.223 -10.593 1.00 52.41 C ATOM 1700 CG LEU A 109 2.675 2.526 -10.859 1.00 21.14 C ATOM 1701 CD1 LEU A 109 2.502 1.318 -9.943 1.00 75.51 C ATOM 1702 CD2 LEU A 109 1.516 3.506 -10.683 1.00 52.21 C ATOM 0 H LEU A 109 5.207 2.456 -12.834 1.00 75.23 H new ATOM 0 HA LEU A 109 3.847 4.932 -11.930 1.00 32.41 H new ATOM 0 HB2 LEU A 109 4.769 2.461 -10.380 1.00 52.41 H new ATOM 0 HB3 LEU A 109 3.923 3.834 -9.695 1.00 52.41 H new ATOM 0 HG LEU A 109 2.672 2.174 -11.891 1.00 21.14 H new ATOM 0 HD11 LEU A 109 1.544 0.840 -10.148 1.00 75.51 H new ATOM 0 HD12 LEU A 109 3.308 0.607 -10.123 1.00 75.51 H new ATOM 0 HD13 LEU A 109 2.530 1.643 -8.903 1.00 75.51 H new ATOM 0 HD21 LEU A 109 0.574 2.993 -10.876 1.00 52.21 H new ATOM 0 HD22 LEU A 109 1.517 3.892 -9.664 1.00 52.21 H new ATOM 0 HD23 LEU A 109 1.629 4.333 -11.384 1.00 52.21 H new ATOM 1714 N PRO A 110 6.207 5.943 -11.789 1.00 54.02 N ATOM 1715 CA PRO A 110 7.434 6.656 -11.381 1.00 20.41 C ATOM 1716 C PRO A 110 7.419 7.051 -9.893 1.00 70.11 C ATOM 1717 O PRO A 110 6.354 7.278 -9.311 1.00 5.22 O ATOM 1718 CB PRO A 110 7.439 7.913 -12.272 1.00 11.22 C ATOM 1719 CG PRO A 110 6.456 7.631 -13.363 1.00 0.21 C ATOM 1720 CD PRO A 110 5.424 6.721 -12.760 1.00 34.30 C ATOM 0 HA PRO A 110 8.320 6.032 -11.499 1.00 20.41 H new ATOM 0 HB2 PRO A 110 7.152 8.798 -11.704 1.00 11.22 H new ATOM 0 HB3 PRO A 110 8.433 8.103 -12.678 1.00 11.22 H new ATOM 0 HG2 PRO A 110 6.000 8.552 -13.726 1.00 0.21 H new ATOM 0 HG3 PRO A 110 6.943 7.158 -14.216 1.00 0.21 H new ATOM 0 HD2 PRO A 110 4.622 7.281 -12.278 1.00 34.30 H new ATOM 0 HD3 PRO A 110 4.960 6.082 -13.511 1.00 34.30 H new ATOM 1728 N ASP A 111 8.605 7.150 -9.285 1.00 2.44 N ATOM 1729 CA ASP A 111 8.725 7.508 -7.863 1.00 62.03 C ATOM 1730 C ASP A 111 7.997 8.828 -7.547 1.00 42.22 C ATOM 1731 O ASP A 111 7.325 8.952 -6.519 1.00 74.45 O ATOM 1732 CB ASP A 111 10.206 7.610 -7.467 1.00 23.41 C ATOM 1733 CG ASP A 111 10.887 8.843 -8.041 1.00 3.21 C ATOM 1734 OD1 ASP A 111 10.907 8.998 -9.280 1.00 25.33 O ATOM 1735 OD2 ASP A 111 11.379 9.677 -7.253 1.00 23.54 O ATOM 0 H ASP A 111 9.497 6.988 -9.753 1.00 2.44 H new ATOM 0 HA ASP A 111 8.250 6.720 -7.279 1.00 62.03 H new ATOM 0 HB2 ASP A 111 10.286 7.629 -6.380 1.00 23.41 H new ATOM 0 HB3 ASP A 111 10.731 6.718 -7.809 1.00 23.41 H new ATOM 1740 N GLY A 112 8.136 9.810 -8.440 1.00 1.13 N ATOM 1741 CA GLY A 112 7.429 11.078 -8.290 1.00 34.24 C ATOM 1742 C GLY A 112 5.912 10.910 -8.237 1.00 63.00 C ATOM 1743 O GLY A 112 5.245 11.468 -7.365 1.00 4.41 O ATOM 0 H GLY A 112 8.728 9.750 -9.268 1.00 1.13 H new ATOM 0 HA2 GLY A 112 7.767 11.571 -7.378 1.00 34.24 H new ATOM 0 HA3 GLY A 112 7.688 11.733 -9.122 1.00 34.24 H new ATOM 1747 N LEU A 113 5.372 10.128 -9.171 1.00 25.34 N ATOM 1748 CA LEU A 113 3.939 9.808 -9.189 1.00 61.13 C ATOM 1749 C LEU A 113 3.497 9.177 -7.858 1.00 61.33 C ATOM 1750 O LEU A 113 2.526 9.618 -7.241 1.00 74.11 O ATOM 1751 CB LEU A 113 3.629 8.853 -10.351 1.00 52.42 C ATOM 1752 CG LEU A 113 2.160 8.414 -10.469 1.00 30.24 C ATOM 1753 CD1 LEU A 113 1.254 9.616 -10.723 1.00 12.32 C ATOM 1754 CD2 LEU A 113 1.996 7.370 -11.573 1.00 74.31 C ATOM 0 H LEU A 113 5.905 9.701 -9.929 1.00 25.34 H new ATOM 0 HA LEU A 113 3.384 10.736 -9.327 1.00 61.13 H new ATOM 0 HB2 LEU A 113 3.923 9.335 -11.283 1.00 52.42 H new ATOM 0 HB3 LEU A 113 4.249 7.963 -10.243 1.00 52.42 H new ATOM 0 HG LEU A 113 1.864 7.960 -9.523 1.00 30.24 H new ATOM 0 HD11 LEU A 113 0.220 9.282 -10.803 1.00 12.32 H new ATOM 0 HD12 LEU A 113 1.345 10.321 -9.897 1.00 12.32 H new ATOM 0 HD13 LEU A 113 1.550 10.105 -11.651 1.00 12.32 H new ATOM 0 HD21 LEU A 113 0.949 7.073 -11.640 1.00 74.31 H new ATOM 0 HD22 LEU A 113 2.314 7.794 -12.525 1.00 74.31 H new ATOM 0 HD23 LEU A 113 2.607 6.497 -11.342 1.00 74.31 H new ATOM 1766 N LEU A 114 4.225 8.153 -7.419 1.00 63.15 N ATOM 1767 CA LEU A 114 3.943 7.489 -6.140 1.00 71.51 C ATOM 1768 C LEU A 114 4.027 8.477 -4.965 1.00 55.24 C ATOM 1769 O LEU A 114 3.251 8.394 -4.012 1.00 5.24 O ATOM 1770 CB LEU A 114 4.919 6.324 -5.922 1.00 44.24 C ATOM 1771 CG LEU A 114 4.858 5.210 -6.986 1.00 20.14 C ATOM 1772 CD1 LEU A 114 5.932 4.153 -6.731 1.00 54.42 C ATOM 1773 CD2 LEU A 114 3.468 4.570 -7.020 1.00 32.40 C ATOM 0 H LEU A 114 5.017 7.761 -7.928 1.00 63.15 H new ATOM 0 HA LEU A 114 2.925 7.101 -6.181 1.00 71.51 H new ATOM 0 HB2 LEU A 114 5.934 6.721 -5.893 1.00 44.24 H new ATOM 0 HB3 LEU A 114 4.721 5.883 -4.945 1.00 44.24 H new ATOM 0 HG LEU A 114 5.051 5.661 -7.959 1.00 20.14 H new ATOM 0 HD11 LEU A 114 5.868 3.378 -7.495 1.00 54.42 H new ATOM 0 HD12 LEU A 114 6.917 4.619 -6.768 1.00 54.42 H new ATOM 0 HD13 LEU A 114 5.778 3.707 -5.748 1.00 54.42 H new ATOM 0 HD21 LEU A 114 3.447 3.787 -7.778 1.00 32.40 H new ATOM 0 HD22 LEU A 114 3.242 4.138 -6.045 1.00 32.40 H new ATOM 0 HD23 LEU A 114 2.724 5.329 -7.262 1.00 32.40 H new ATOM 1785 N SER A 115 4.967 9.420 -5.049 1.00 62.21 N ATOM 1786 CA SER A 115 5.111 10.464 -4.023 1.00 62.33 C ATOM 1787 C SER A 115 3.880 11.378 -3.989 1.00 60.12 C ATOM 1788 O SER A 115 3.404 11.754 -2.917 1.00 52.24 O ATOM 1789 CB SER A 115 6.375 11.306 -4.268 1.00 32.25 C ATOM 1790 OG SER A 115 7.556 10.522 -4.158 1.00 73.05 O ATOM 0 H SER A 115 5.640 9.486 -5.813 1.00 62.21 H new ATOM 0 HA SER A 115 5.202 9.963 -3.059 1.00 62.33 H new ATOM 0 HB2 SER A 115 6.327 11.755 -5.260 1.00 32.25 H new ATOM 0 HB3 SER A 115 6.413 12.124 -3.549 1.00 32.25 H new ATOM 0 HG SER A 115 7.616 9.912 -4.923 1.00 73.05 H new ATOM 1796 N ARG A 116 3.366 11.733 -5.170 1.00 52.23 N ATOM 1797 CA ARG A 116 2.142 12.535 -5.265 1.00 43.41 C ATOM 1798 C ARG A 116 0.936 11.773 -4.700 1.00 52.15 C ATOM 1799 O ARG A 116 0.137 12.332 -3.953 1.00 1.42 O ATOM 1800 CB ARG A 116 1.856 12.961 -6.714 1.00 74.03 C ATOM 1801 CG ARG A 116 0.510 13.683 -6.869 1.00 23.04 C ATOM 1802 CD ARG A 116 0.648 15.063 -7.513 1.00 32.34 C ATOM 1803 NE ARG A 116 -0.388 15.977 -7.031 1.00 33.01 N ATOM 1804 CZ ARG A 116 -0.478 17.237 -7.350 1.00 41.44 C ATOM 1805 NH1 ARG A 116 0.322 17.763 -8.222 1.00 43.22 N ATOM 1806 NH2 ARG A 116 -1.391 17.965 -6.799 1.00 5.24 N ATOM 0 H ARG A 116 3.775 11.480 -6.069 1.00 52.23 H new ATOM 0 HA ARG A 116 2.303 13.433 -4.668 1.00 43.41 H new ATOM 0 HB2 ARG A 116 2.656 13.616 -7.060 1.00 74.03 H new ATOM 0 HB3 ARG A 116 1.866 12.080 -7.355 1.00 74.03 H new ATOM 0 HG2 ARG A 116 -0.158 13.070 -7.474 1.00 23.04 H new ATOM 0 HG3 ARG A 116 0.045 13.789 -5.889 1.00 23.04 H new ATOM 0 HD2 ARG A 116 1.632 15.475 -7.290 1.00 32.34 H new ATOM 0 HD3 ARG A 116 0.579 14.970 -8.597 1.00 32.34 H new ATOM 0 HE ARG A 116 -1.093 15.599 -6.398 1.00 33.01 H new ATOM 0 HH11 ARG A 116 1.036 17.189 -8.670 1.00 43.22 H new ATOM 0 HH12 ARG A 116 0.238 18.751 -8.460 1.00 43.22 H new ATOM 0 HH21 ARG A 116 -2.032 17.552 -6.122 1.00 5.24 H new ATOM 0 HH22 ARG A 116 -1.471 18.953 -7.041 1.00 5.24 H new ATOM 1820 N ILE A 117 0.810 10.497 -5.058 1.00 33.21 N ATOM 1821 CA ILE A 117 -0.260 9.647 -4.521 1.00 10.02 C ATOM 1822 C ILE A 117 -0.272 9.695 -2.983 1.00 21.04 C ATOM 1823 O ILE A 117 -1.315 9.901 -2.361 1.00 35.12 O ATOM 1824 CB ILE A 117 -0.106 8.175 -4.990 1.00 61.00 C ATOM 1825 CG1 ILE A 117 -0.206 8.086 -6.526 1.00 21.23 C ATOM 1826 CG2 ILE A 117 -1.155 7.281 -4.325 1.00 72.44 C ATOM 1827 CD1 ILE A 117 -0.020 6.683 -7.081 1.00 43.44 C ATOM 0 H ILE A 117 1.432 10.026 -5.716 1.00 33.21 H new ATOM 0 HA ILE A 117 -1.204 10.036 -4.903 1.00 10.02 H new ATOM 0 HB ILE A 117 0.880 7.820 -4.689 1.00 61.00 H new ATOM 0 HG12 ILE A 117 -1.180 8.462 -6.838 1.00 21.23 H new ATOM 0 HG13 ILE A 117 0.545 8.742 -6.967 1.00 21.23 H new ATOM 0 HG21 ILE A 117 -1.028 6.254 -4.668 1.00 72.44 H new ATOM 0 HG22 ILE A 117 -1.032 7.320 -3.243 1.00 72.44 H new ATOM 0 HG23 ILE A 117 -2.153 7.632 -4.590 1.00 72.44 H new ATOM 0 HD11 ILE A 117 -0.105 6.707 -8.167 1.00 43.44 H new ATOM 0 HD12 ILE A 117 0.965 6.309 -6.802 1.00 43.44 H new ATOM 0 HD13 ILE A 117 -0.787 6.025 -6.672 1.00 43.44 H new ATOM 1839 N ILE A 118 0.903 9.527 -2.380 1.00 1.33 N ATOM 1840 CA ILE A 118 1.045 9.630 -0.927 1.00 3.20 C ATOM 1841 C ILE A 118 0.665 11.034 -0.418 1.00 74.20 C ATOM 1842 O ILE A 118 0.062 11.175 0.643 1.00 43.31 O ATOM 1843 CB ILE A 118 2.494 9.305 -0.474 1.00 24.05 C ATOM 1844 CG1 ILE A 118 2.869 7.869 -0.876 1.00 1.55 C ATOM 1845 CG2 ILE A 118 2.651 9.497 1.037 1.00 3.41 C ATOM 1846 CD1 ILE A 118 4.292 7.479 -0.524 1.00 74.32 C ATOM 0 H ILE A 118 1.771 9.319 -2.874 1.00 1.33 H new ATOM 0 HA ILE A 118 0.361 8.898 -0.497 1.00 3.20 H new ATOM 0 HB ILE A 118 3.172 9.997 -0.975 1.00 24.05 H new ATOM 0 HG12 ILE A 118 2.183 7.176 -0.389 1.00 1.55 H new ATOM 0 HG13 ILE A 118 2.728 7.755 -1.951 1.00 1.55 H new ATOM 0 HG21 ILE A 118 3.675 9.263 1.329 1.00 3.41 H new ATOM 0 HG22 ILE A 118 2.427 10.531 1.298 1.00 3.41 H new ATOM 0 HG23 ILE A 118 1.963 8.833 1.561 1.00 3.41 H new ATOM 0 HD11 ILE A 118 4.477 6.452 -0.840 1.00 74.32 H new ATOM 0 HD12 ILE A 118 4.988 8.146 -1.032 1.00 74.32 H new ATOM 0 HD13 ILE A 118 4.435 7.558 0.554 1.00 74.32 H new ATOM 1858 N HIS A 119 1.001 12.068 -1.184 1.00 12.24 N ATOM 1859 CA HIS A 119 0.818 13.450 -0.724 1.00 14.02 C ATOM 1860 C HIS A 119 -0.616 13.975 -0.944 1.00 43.45 C ATOM 1861 O HIS A 119 -1.079 14.846 -0.207 1.00 2.11 O ATOM 1862 CB HIS A 119 1.825 14.382 -1.409 1.00 41.44 C ATOM 1863 CG HIS A 119 2.258 15.506 -0.525 1.00 53.24 C ATOM 1864 ND1 HIS A 119 1.434 16.551 -0.170 1.00 42.24 N ATOM 1865 CD2 HIS A 119 3.426 15.714 0.124 1.00 32.13 C ATOM 1866 CE1 HIS A 119 2.073 17.349 0.661 1.00 40.12 C ATOM 1867 NE2 HIS A 119 3.283 16.866 0.854 1.00 54.02 N ATOM 0 H HIS A 119 1.399 11.982 -2.119 1.00 12.24 H new ATOM 0 HA HIS A 119 0.995 13.442 0.352 1.00 14.02 H new ATOM 0 HB2 HIS A 119 2.699 13.806 -1.714 1.00 41.44 H new ATOM 0 HB3 HIS A 119 1.379 14.789 -2.317 1.00 41.44 H new ATOM 0 HD2 HIS A 119 4.306 15.090 0.076 1.00 32.13 H new ATOM 0 HE1 HIS A 119 1.673 18.247 1.108 1.00 40.12 H new ATOM 0 HE2 HIS A 119 3.998 17.282 1.450 1.00 54.02 H new ATOM 1876 N ASP A 120 -1.302 13.457 -1.956 1.00 23.42 N ATOM 1877 CA ASP A 120 -2.666 13.898 -2.283 1.00 72.21 C ATOM 1878 C ASP A 120 -3.730 12.893 -1.807 1.00 42.13 C ATOM 1879 O ASP A 120 -4.722 13.269 -1.180 1.00 25.41 O ATOM 1880 CB ASP A 120 -2.798 14.103 -3.798 1.00 13.35 C ATOM 1881 CG ASP A 120 -2.070 15.339 -4.299 1.00 23.01 C ATOM 1882 OD1 ASP A 120 -0.843 15.438 -4.110 1.00 41.01 O ATOM 1883 OD2 ASP A 120 -2.729 16.218 -4.901 1.00 55.33 O ATOM 0 H ASP A 120 -0.940 12.728 -2.571 1.00 23.42 H new ATOM 0 HA ASP A 120 -2.839 14.839 -1.760 1.00 72.21 H new ATOM 0 HB2 ASP A 120 -2.407 13.225 -4.313 1.00 13.35 H new ATOM 0 HB3 ASP A 120 -3.854 14.181 -4.057 1.00 13.35 H new ATOM 1888 N ARG A 121 -3.520 11.617 -2.114 1.00 53.22 N ATOM 1889 CA ARG A 121 -4.499 10.569 -1.804 1.00 21.24 C ATOM 1890 C ARG A 121 -4.358 10.038 -0.366 1.00 42.45 C ATOM 1891 O ARG A 121 -5.253 9.364 0.135 1.00 73.14 O ATOM 1892 CB ARG A 121 -4.355 9.410 -2.801 1.00 55.41 C ATOM 1893 CG ARG A 121 -4.654 9.782 -4.255 1.00 4.43 C ATOM 1894 CD ARG A 121 -6.153 9.849 -4.556 1.00 21.22 C ATOM 1895 NE ARG A 121 -6.845 10.921 -3.830 1.00 13.32 N ATOM 1896 CZ ARG A 121 -7.759 11.690 -4.363 1.00 41.33 C ATOM 1897 NH1 ARG A 121 -8.087 11.560 -5.607 1.00 23.13 N ATOM 1898 NH2 ARG A 121 -8.346 12.589 -3.646 1.00 11.44 N ATOM 0 H ARG A 121 -2.678 11.278 -2.579 1.00 53.22 H new ATOM 0 HA ARG A 121 -5.489 11.017 -1.889 1.00 21.24 H new ATOM 0 HB2 ARG A 121 -3.339 9.020 -2.741 1.00 55.41 H new ATOM 0 HB3 ARG A 121 -5.024 8.604 -2.501 1.00 55.41 H new ATOM 0 HG2 ARG A 121 -4.200 10.747 -4.479 1.00 4.43 H new ATOM 0 HG3 ARG A 121 -4.188 9.050 -4.915 1.00 4.43 H new ATOM 0 HD2 ARG A 121 -6.295 9.995 -5.627 1.00 21.22 H new ATOM 0 HD3 ARG A 121 -6.611 8.893 -4.301 1.00 21.22 H new ATOM 0 HE ARG A 121 -6.599 11.075 -2.852 1.00 13.32 H new ATOM 0 HH11 ARG A 121 -7.632 10.852 -6.183 1.00 23.13 H new ATOM 0 HH12 ARG A 121 -8.801 12.165 -6.012 1.00 23.13 H new ATOM 0 HH21 ARG A 121 -8.097 12.700 -2.663 1.00 11.44 H new ATOM 0 HH22 ARG A 121 -9.059 13.188 -4.062 1.00 11.44 H new ATOM 1912 N MET A 122 -3.233 10.327 0.290 1.00 43.32 N ATOM 1913 CA MET A 122 -2.978 9.800 1.643 1.00 42.21 C ATOM 1914 C MET A 122 -2.765 10.899 2.707 1.00 51.14 C ATOM 1915 O MET A 122 -3.456 10.912 3.725 1.00 34.43 O ATOM 1916 CB MET A 122 -1.777 8.853 1.606 1.00 73.21 C ATOM 1917 CG MET A 122 -2.024 7.588 0.799 1.00 35.34 C ATOM 1918 SD MET A 122 -0.585 6.507 0.763 1.00 52.23 S ATOM 1919 CE MET A 122 -1.273 5.049 -0.013 1.00 51.24 C ATOM 0 H MET A 122 -2.488 10.916 -0.083 1.00 43.32 H new ATOM 0 HA MET A 122 -3.876 9.261 1.946 1.00 42.21 H new ATOM 0 HB2 MET A 122 -0.921 9.381 1.185 1.00 73.21 H new ATOM 0 HB3 MET A 122 -1.511 8.577 2.626 1.00 73.21 H new ATOM 0 HG2 MET A 122 -2.870 7.048 1.224 1.00 35.34 H new ATOM 0 HG3 MET A 122 -2.298 7.858 -0.221 1.00 35.34 H new ATOM 0 HE1 MET A 122 -0.837 4.157 0.437 1.00 51.24 H new ATOM 0 HE2 MET A 122 -2.354 5.037 0.129 1.00 51.24 H new ATOM 0 HE3 MET A 122 -1.048 5.064 -1.079 1.00 51.24 H new ATOM 1929 N ILE A 123 -1.815 11.815 2.474 1.00 31.20 N ATOM 1930 CA ILE A 123 -1.455 12.852 3.468 1.00 5.54 C ATOM 1931 C ILE A 123 -2.688 13.552 4.094 1.00 43.43 C ATOM 1932 O ILE A 123 -2.817 13.576 5.322 1.00 22.31 O ATOM 1933 CB ILE A 123 -0.482 13.915 2.868 1.00 72.20 C ATOM 1934 CG1 ILE A 123 0.944 13.345 2.748 1.00 42.54 C ATOM 1935 CG2 ILE A 123 -0.474 15.203 3.700 1.00 51.51 C ATOM 1936 CD1 ILE A 123 1.635 13.123 4.079 1.00 23.01 C ATOM 0 H ILE A 123 -1.278 11.864 1.608 1.00 31.20 H new ATOM 0 HA ILE A 123 -0.944 12.320 4.270 1.00 5.54 H new ATOM 0 HB ILE A 123 -0.844 14.163 1.870 1.00 72.20 H new ATOM 0 HG12 ILE A 123 0.901 12.398 2.210 1.00 42.54 H new ATOM 0 HG13 ILE A 123 1.547 14.026 2.147 1.00 42.54 H new ATOM 0 HG21 ILE A 123 0.214 15.921 3.253 1.00 51.51 H new ATOM 0 HG22 ILE A 123 -1.477 15.628 3.722 1.00 51.51 H new ATOM 0 HG23 ILE A 123 -0.153 14.977 4.717 1.00 51.51 H new ATOM 0 HD11 ILE A 123 2.633 12.720 3.908 1.00 23.01 H new ATOM 0 HD12 ILE A 123 1.712 14.071 4.611 1.00 23.01 H new ATOM 0 HD13 ILE A 123 1.057 12.418 4.676 1.00 23.01 H new ATOM 1948 N PRO A 124 -3.616 14.126 3.285 1.00 1.24 N ATOM 1949 CA PRO A 124 -4.821 14.785 3.829 1.00 3.24 C ATOM 1950 C PRO A 124 -5.639 13.858 4.742 1.00 62.40 C ATOM 1951 O PRO A 124 -6.229 14.296 5.733 1.00 4.11 O ATOM 1952 CB PRO A 124 -5.629 15.154 2.573 1.00 10.53 C ATOM 1953 CG PRO A 124 -4.618 15.235 1.482 1.00 63.23 C ATOM 1954 CD PRO A 124 -3.583 14.190 1.806 1.00 71.12 C ATOM 0 HA PRO A 124 -4.565 15.641 4.454 1.00 3.24 H new ATOM 0 HB2 PRO A 124 -6.387 14.402 2.355 1.00 10.53 H new ATOM 0 HB3 PRO A 124 -6.149 16.103 2.702 1.00 10.53 H new ATOM 0 HG2 PRO A 124 -5.075 15.046 0.511 1.00 63.23 H new ATOM 0 HG3 PRO A 124 -4.171 16.228 1.436 1.00 63.23 H new ATOM 0 HD2 PRO A 124 -3.828 13.228 1.356 1.00 71.12 H new ATOM 0 HD3 PRO A 124 -2.597 14.472 1.437 1.00 71.12 H new ATOM 1962 N HIS A 125 -5.653 12.569 4.409 1.00 2.34 N ATOM 1963 CA HIS A 125 -6.385 11.568 5.187 1.00 12.33 C ATOM 1964 C HIS A 125 -5.650 11.209 6.491 1.00 73.22 C ATOM 1965 O HIS A 125 -6.242 11.242 7.569 1.00 73.44 O ATOM 1966 CB HIS A 125 -6.615 10.310 4.341 1.00 40.14 C ATOM 1967 CG HIS A 125 -7.530 10.534 3.179 1.00 71.02 C ATOM 1968 ND1 HIS A 125 -8.892 10.496 3.330 1.00 63.22 N ATOM 1969 CD2 HIS A 125 -7.237 10.795 1.884 1.00 25.23 C ATOM 1970 CE1 HIS A 125 -9.396 10.734 2.137 1.00 61.23 C ATOM 1971 NE2 HIS A 125 -8.432 10.924 1.226 1.00 55.45 N ATOM 0 H HIS A 125 -5.162 12.190 3.599 1.00 2.34 H new ATOM 0 HA HIS A 125 -7.348 11.998 5.462 1.00 12.33 H new ATOM 0 HB2 HIS A 125 -5.655 9.948 3.973 1.00 40.14 H new ATOM 0 HB3 HIS A 125 -7.030 9.526 4.975 1.00 40.14 H new ATOM 0 HD1 HIS A 125 -9.410 10.319 4.191 1.00 63.22 H new ATOM 0 HD2 HIS A 125 -6.251 10.884 1.452 1.00 25.23 H new ATOM 0 HE1 HIS A 125 -10.453 10.771 1.920 1.00 61.23 H new ATOM 1979 N PHE A 126 -4.358 10.885 6.391 1.00 24.34 N ATOM 1980 CA PHE A 126 -3.550 10.527 7.569 1.00 64.23 C ATOM 1981 C PHE A 126 -3.576 11.640 8.626 1.00 41.31 C ATOM 1982 O PHE A 126 -3.733 11.374 9.821 1.00 44.33 O ATOM 1983 CB PHE A 126 -2.095 10.234 7.168 1.00 24.25 C ATOM 1984 CG PHE A 126 -1.923 9.045 6.256 1.00 42.51 C ATOM 1985 CD1 PHE A 126 -2.933 8.106 6.097 1.00 41.03 C ATOM 1986 CD2 PHE A 126 -0.736 8.868 5.559 1.00 24.23 C ATOM 1987 CE1 PHE A 126 -2.764 7.018 5.262 1.00 14.24 C ATOM 1988 CE2 PHE A 126 -0.562 7.782 4.727 1.00 70.41 C ATOM 1989 CZ PHE A 126 -1.578 6.856 4.578 1.00 73.34 C ATOM 0 H PHE A 126 -3.846 10.862 5.509 1.00 24.34 H new ATOM 0 HA PHE A 126 -3.990 9.628 8.000 1.00 64.23 H new ATOM 0 HB2 PHE A 126 -1.683 11.115 6.676 1.00 24.25 H new ATOM 0 HB3 PHE A 126 -1.509 10.070 8.072 1.00 24.25 H new ATOM 0 HD1 PHE A 126 -3.863 8.227 6.633 1.00 41.03 H new ATOM 0 HD2 PHE A 126 0.061 9.589 5.669 1.00 24.23 H new ATOM 0 HE1 PHE A 126 -3.559 6.296 5.146 1.00 14.24 H new ATOM 0 HE2 PHE A 126 0.368 7.655 4.192 1.00 70.41 H new ATOM 0 HZ PHE A 126 -1.442 6.006 3.926 1.00 73.34 H new ATOM 1999 N ARG A 127 -3.432 12.884 8.177 1.00 72.44 N ATOM 2000 CA ARG A 127 -3.508 14.049 9.071 1.00 3.21 C ATOM 2001 C ARG A 127 -4.885 14.143 9.741 1.00 44.15 C ATOM 2002 O ARG A 127 -5.013 14.622 10.869 1.00 61.24 O ATOM 2003 CB ARG A 127 -3.223 15.334 8.287 1.00 10.20 C ATOM 2004 CG ARG A 127 -1.827 15.382 7.675 1.00 23.34 C ATOM 2005 CD ARG A 127 -1.610 16.654 6.866 1.00 55.51 C ATOM 2006 NE ARG A 127 -1.778 17.858 7.678 1.00 41.15 N ATOM 2007 CZ ARG A 127 -0.796 18.592 8.128 1.00 22.30 C ATOM 2008 NH1 ARG A 127 0.436 18.268 7.896 1.00 1.41 N ATOM 2009 NH2 ARG A 127 -1.047 19.653 8.820 1.00 62.34 N ATOM 0 H ARG A 127 -3.262 13.117 7.199 1.00 72.44 H new ATOM 0 HA ARG A 127 -2.756 13.926 9.850 1.00 3.21 H new ATOM 0 HB2 ARG A 127 -3.962 15.436 7.492 1.00 10.20 H new ATOM 0 HB3 ARG A 127 -3.349 16.189 8.951 1.00 10.20 H new ATOM 0 HG2 ARG A 127 -1.080 15.323 8.467 1.00 23.34 H new ATOM 0 HG3 ARG A 127 -1.681 14.513 7.033 1.00 23.34 H new ATOM 0 HD2 ARG A 127 -0.608 16.644 6.437 1.00 55.51 H new ATOM 0 HD3 ARG A 127 -2.313 16.678 6.033 1.00 55.51 H new ATOM 0 HE ARG A 127 -2.729 18.145 7.909 1.00 41.15 H new ATOM 0 HH11 ARG A 127 0.650 17.430 7.355 1.00 1.41 H new ATOM 0 HH12 ARG A 127 1.193 18.851 8.254 1.00 1.41 H new ATOM 0 HH21 ARG A 127 -2.012 19.918 9.015 1.00 62.34 H new ATOM 0 HH22 ARG A 127 -0.280 20.226 9.171 1.00 62.34 H new ATOM 2023 N SER A 128 -5.912 13.679 9.032 1.00 44.10 N ATOM 2024 CA SER A 128 -7.285 13.650 9.561 1.00 74.13 C ATOM 2025 C SER A 128 -7.575 12.343 10.326 1.00 73.55 C ATOM 2026 O SER A 128 -8.686 12.134 10.815 1.00 31.04 O ATOM 2027 CB SER A 128 -8.298 13.801 8.414 1.00 44.05 C ATOM 2028 OG SER A 128 -8.101 15.015 7.699 1.00 13.15 O ATOM 0 H SER A 128 -5.824 13.315 8.083 1.00 44.10 H new ATOM 0 HA SER A 128 -7.383 14.483 10.257 1.00 74.13 H new ATOM 0 HB2 SER A 128 -8.204 12.956 7.731 1.00 44.05 H new ATOM 0 HB3 SER A 128 -9.311 13.775 8.816 1.00 44.05 H new ATOM 0 HG SER A 128 -7.464 14.865 6.969 1.00 13.15 H new ATOM 2034 N GLY A 129 -6.577 11.460 10.412 1.00 62.12 N ATOM 2035 CA GLY A 129 -6.756 10.171 11.085 1.00 73.52 C ATOM 2036 C GLY A 129 -7.312 9.085 10.163 1.00 51.33 C ATOM 2037 O GLY A 129 -7.380 7.913 10.537 1.00 1.22 O ATOM 0 H GLY A 129 -5.644 11.612 10.028 1.00 62.12 H new ATOM 0 HA2 GLY A 129 -5.798 9.842 11.488 1.00 73.52 H new ATOM 0 HA3 GLY A 129 -7.430 10.300 11.932 1.00 73.52 H new ATOM 2041 N ASN A 130 -7.696 9.477 8.953 1.00 33.11 N ATOM 2042 CA ASN A 130 -8.259 8.555 7.962 1.00 41.23 C ATOM 2043 C ASN A 130 -7.165 7.674 7.325 1.00 0.41 C ATOM 2044 O ASN A 130 -6.859 7.804 6.140 1.00 15.25 O ATOM 2045 CB ASN A 130 -8.976 9.366 6.873 1.00 34.25 C ATOM 2046 CG ASN A 130 -10.094 10.230 7.424 1.00 51.35 C ATOM 2047 OD1 ASN A 130 -9.868 11.342 7.882 1.00 55.32 O ATOM 2048 ND2 ASN A 130 -11.309 9.737 7.378 1.00 74.51 N ATOM 0 H ASN A 130 -7.628 10.441 8.628 1.00 33.11 H new ATOM 0 HA ASN A 130 -8.965 7.894 8.465 1.00 41.23 H new ATOM 0 HB2 ASN A 130 -8.251 10.000 6.362 1.00 34.25 H new ATOM 0 HB3 ASN A 130 -9.384 8.684 6.128 1.00 34.25 H new ATOM 0 HD21 ASN A 130 -12.095 10.284 7.730 1.00 74.51 H new ATOM 0 HD22 ASN A 130 -11.468 8.807 6.991 1.00 74.51 H new ATOM 2055 N TYR A 131 -6.574 6.780 8.113 1.00 21.15 N ATOM 2056 CA TYR A 131 -5.473 5.938 7.628 1.00 31.41 C ATOM 2057 C TYR A 131 -5.952 4.933 6.569 1.00 72.34 C ATOM 2058 O TYR A 131 -5.414 4.878 5.461 1.00 13.45 O ATOM 2059 CB TYR A 131 -4.804 5.205 8.797 1.00 10.22 C ATOM 2060 CG TYR A 131 -4.313 6.136 9.890 1.00 51.33 C ATOM 2061 CD1 TYR A 131 -3.441 7.180 9.598 1.00 63.12 C ATOM 2062 CD2 TYR A 131 -4.720 5.973 11.210 1.00 5.02 C ATOM 2063 CE1 TYR A 131 -2.998 8.036 10.585 1.00 30.45 C ATOM 2064 CE2 TYR A 131 -4.278 6.826 12.203 1.00 65.20 C ATOM 2065 CZ TYR A 131 -3.415 7.854 11.887 1.00 54.32 C ATOM 2066 OH TYR A 131 -2.978 8.714 12.872 1.00 30.24 O ATOM 0 H TYR A 131 -6.834 6.617 9.086 1.00 21.15 H new ATOM 0 HA TYR A 131 -4.741 6.592 7.155 1.00 31.41 H new ATOM 0 HB2 TYR A 131 -5.513 4.496 9.225 1.00 10.22 H new ATOM 0 HB3 TYR A 131 -3.962 4.625 8.419 1.00 10.22 H new ATOM 0 HD1 TYR A 131 -3.105 7.323 8.581 1.00 63.12 H new ATOM 0 HD2 TYR A 131 -5.392 5.167 11.463 1.00 5.02 H new ATOM 0 HE1 TYR A 131 -2.327 8.846 10.339 1.00 30.45 H new ATOM 0 HE2 TYR A 131 -4.607 6.688 13.222 1.00 65.20 H new ATOM 0 HH TYR A 131 -3.364 8.449 13.733 1.00 30.24 H new ATOM 2076 N ALA A 132 -6.968 4.148 6.911 1.00 13.13 N ATOM 2077 CA ALA A 132 -7.553 3.185 5.973 1.00 41.11 C ATOM 2078 C ALA A 132 -8.143 3.887 4.739 1.00 33.14 C ATOM 2079 O ALA A 132 -7.968 3.432 3.605 1.00 63.21 O ATOM 2080 CB ALA A 132 -8.619 2.357 6.676 1.00 30.24 C ATOM 0 H ALA A 132 -7.407 4.157 7.832 1.00 13.13 H new ATOM 0 HA ALA A 132 -6.758 2.525 5.626 1.00 41.11 H new ATOM 0 HB1 ALA A 132 -9.049 1.644 5.972 1.00 30.24 H new ATOM 0 HB2 ALA A 132 -8.170 1.818 7.510 1.00 30.24 H new ATOM 0 HB3 ALA A 132 -9.403 3.015 7.050 1.00 30.24 H new ATOM 2086 N GLU A 133 -8.843 4.995 4.971 1.00 13.34 N ATOM 2087 CA GLU A 133 -9.390 5.811 3.883 1.00 45.12 C ATOM 2088 C GLU A 133 -8.279 6.296 2.937 1.00 22.52 C ATOM 2089 O GLU A 133 -8.433 6.263 1.713 1.00 15.13 O ATOM 2090 CB GLU A 133 -10.169 7.018 4.440 1.00 30.24 C ATOM 2091 CG GLU A 133 -11.444 6.663 5.209 1.00 54.34 C ATOM 2092 CD GLU A 133 -11.189 6.191 6.636 1.00 30.12 C ATOM 2093 OE1 GLU A 133 -10.845 5.010 6.832 1.00 54.14 O ATOM 2094 OE2 GLU A 133 -11.339 7.001 7.570 1.00 43.31 O ATOM 0 H GLU A 133 -9.047 5.351 5.905 1.00 13.34 H new ATOM 0 HA GLU A 133 -10.075 5.181 3.316 1.00 45.12 H new ATOM 0 HB2 GLU A 133 -9.511 7.584 5.099 1.00 30.24 H new ATOM 0 HB3 GLU A 133 -10.433 7.675 3.611 1.00 30.24 H new ATOM 0 HG2 GLU A 133 -12.096 7.536 5.236 1.00 54.34 H new ATOM 0 HG3 GLU A 133 -11.978 5.882 4.668 1.00 54.34 H new ATOM 2101 N GLY A 134 -7.160 6.740 3.513 1.00 13.00 N ATOM 2102 CA GLY A 134 -6.007 7.145 2.712 1.00 11.14 C ATOM 2103 C GLY A 134 -5.455 6.002 1.867 1.00 15.24 C ATOM 2104 O GLY A 134 -5.126 6.181 0.691 1.00 75.20 O ATOM 0 H GLY A 134 -7.030 6.827 4.521 1.00 13.00 H new ATOM 0 HA2 GLY A 134 -6.293 7.970 2.060 1.00 11.14 H new ATOM 0 HA3 GLY A 134 -5.223 7.517 3.371 1.00 11.14 H new ATOM 2108 N LEU A 135 -5.361 4.815 2.469 1.00 1.05 N ATOM 2109 CA LEU A 135 -4.933 3.612 1.748 1.00 32.02 C ATOM 2110 C LEU A 135 -5.876 3.304 0.577 1.00 71.41 C ATOM 2111 O LEU A 135 -5.429 2.955 -0.516 1.00 33.23 O ATOM 2112 CB LEU A 135 -4.881 2.406 2.695 1.00 20.51 C ATOM 2113 CG LEU A 135 -3.857 2.501 3.836 1.00 10.51 C ATOM 2114 CD1 LEU A 135 -3.931 1.260 4.722 1.00 5.23 C ATOM 2115 CD2 LEU A 135 -2.445 2.692 3.284 1.00 42.20 C ATOM 0 H LEU A 135 -5.575 4.660 3.454 1.00 1.05 H new ATOM 0 HA LEU A 135 -3.935 3.802 1.352 1.00 32.02 H new ATOM 0 HB2 LEU A 135 -5.871 2.265 3.130 1.00 20.51 H new ATOM 0 HB3 LEU A 135 -4.662 1.515 2.107 1.00 20.51 H new ATOM 0 HG LEU A 135 -4.100 3.372 4.444 1.00 10.51 H new ATOM 0 HD11 LEU A 135 -3.199 1.343 5.526 1.00 5.23 H new ATOM 0 HD12 LEU A 135 -4.931 1.177 5.148 1.00 5.23 H new ATOM 0 HD13 LEU A 135 -3.716 0.374 4.125 1.00 5.23 H new ATOM 0 HD21 LEU A 135 -1.737 2.757 4.110 1.00 42.20 H new ATOM 0 HD22 LEU A 135 -2.185 1.845 2.649 1.00 42.20 H new ATOM 0 HD23 LEU A 135 -2.404 3.611 2.699 1.00 42.20 H new ATOM 2127 N SER A 136 -7.183 3.438 0.813 1.00 41.11 N ATOM 2128 CA SER A 136 -8.186 3.201 -0.236 1.00 2.50 C ATOM 2129 C SER A 136 -7.947 4.106 -1.447 1.00 32.43 C ATOM 2130 O SER A 136 -7.926 3.635 -2.588 1.00 21.40 O ATOM 2131 CB SER A 136 -9.608 3.428 0.294 1.00 73.44 C ATOM 2132 OG SER A 136 -10.572 3.231 -0.734 1.00 53.20 O ATOM 0 H SER A 136 -7.574 3.708 1.716 1.00 41.11 H new ATOM 0 HA SER A 136 -8.084 2.161 -0.545 1.00 2.50 H new ATOM 0 HB2 SER A 136 -9.806 2.744 1.119 1.00 73.44 H new ATOM 0 HB3 SER A 136 -9.695 4.440 0.690 1.00 73.44 H new ATOM 0 HG SER A 136 -11.471 3.380 -0.373 1.00 53.20 H new ATOM 2138 N GLU A 137 -7.759 5.402 -1.195 1.00 54.11 N ATOM 2139 CA GLU A 137 -7.484 6.365 -2.265 1.00 24.20 C ATOM 2140 C GLU A 137 -6.169 6.028 -2.987 1.00 22.24 C ATOM 2141 O GLU A 137 -6.093 6.067 -4.213 1.00 30.14 O ATOM 2142 CB GLU A 137 -7.405 7.790 -1.701 1.00 61.23 C ATOM 2143 CG GLU A 137 -8.614 8.211 -0.872 1.00 60.54 C ATOM 2144 CD GLU A 137 -9.930 8.105 -1.629 1.00 25.21 C ATOM 2145 OE1 GLU A 137 -10.128 8.865 -2.597 1.00 13.05 O ATOM 2146 OE2 GLU A 137 -10.782 7.278 -1.241 1.00 64.44 O ATOM 0 H GLU A 137 -7.792 5.810 -0.261 1.00 54.11 H new ATOM 0 HA GLU A 137 -8.304 6.305 -2.981 1.00 24.20 H new ATOM 0 HB2 GLU A 137 -6.510 7.874 -1.084 1.00 61.23 H new ATOM 0 HB3 GLU A 137 -7.287 8.489 -2.529 1.00 61.23 H new ATOM 0 HG2 GLU A 137 -8.666 7.590 0.022 1.00 60.54 H new ATOM 0 HG3 GLU A 137 -8.477 9.240 -0.538 1.00 60.54 H new ATOM 2153 N GLY A 138 -5.139 5.695 -2.208 1.00 34.35 N ATOM 2154 CA GLY A 138 -3.841 5.338 -2.775 1.00 41.13 C ATOM 2155 C GLY A 138 -3.898 4.127 -3.706 1.00 3.15 C ATOM 2156 O GLY A 138 -3.459 4.198 -4.855 1.00 3.33 O ATOM 0 H GLY A 138 -5.179 5.665 -1.189 1.00 34.35 H new ATOM 0 HA2 GLY A 138 -3.446 6.192 -3.325 1.00 41.13 H new ATOM 0 HA3 GLY A 138 -3.143 5.131 -1.964 1.00 41.13 H new ATOM 2160 N VAL A 139 -4.440 3.016 -3.205 1.00 55.13 N ATOM 2161 CA VAL A 139 -4.610 1.797 -4.008 1.00 63.21 C ATOM 2162 C VAL A 139 -5.429 2.073 -5.279 1.00 63.53 C ATOM 2163 O VAL A 139 -5.046 1.672 -6.381 1.00 54.52 O ATOM 2164 CB VAL A 139 -5.309 0.679 -3.190 1.00 10.02 C ATOM 2165 CG1 VAL A 139 -5.585 -0.546 -4.061 1.00 12.41 C ATOM 2166 CG2 VAL A 139 -4.473 0.299 -1.967 1.00 25.15 C ATOM 0 H VAL A 139 -4.771 2.932 -2.244 1.00 55.13 H new ATOM 0 HA VAL A 139 -3.611 1.465 -4.292 1.00 63.21 H new ATOM 0 HB VAL A 139 -6.267 1.065 -2.841 1.00 10.02 H new ATOM 0 HG11 VAL A 139 -6.075 -1.314 -3.463 1.00 12.41 H new ATOM 0 HG12 VAL A 139 -6.233 -0.264 -4.891 1.00 12.41 H new ATOM 0 HG13 VAL A 139 -4.644 -0.935 -4.451 1.00 12.41 H new ATOM 0 HG21 VAL A 139 -4.982 -0.486 -1.408 1.00 25.15 H new ATOM 0 HG22 VAL A 139 -3.497 -0.061 -2.291 1.00 25.15 H new ATOM 0 HG23 VAL A 139 -4.344 1.173 -1.329 1.00 25.15 H new ATOM 2176 N LEU A 140 -6.556 2.769 -5.114 1.00 22.21 N ATOM 2177 CA LEU A 140 -7.428 3.110 -6.242 1.00 63.15 C ATOM 2178 C LEU A 140 -6.690 3.991 -7.264 1.00 40.40 C ATOM 2179 O LEU A 140 -6.859 3.829 -8.471 1.00 33.44 O ATOM 2180 CB LEU A 140 -8.695 3.824 -5.743 1.00 3.22 C ATOM 2181 CG LEU A 140 -9.745 4.141 -6.823 1.00 65.03 C ATOM 2182 CD1 LEU A 140 -10.253 2.855 -7.480 1.00 45.41 C ATOM 2183 CD2 LEU A 140 -10.905 4.938 -6.228 1.00 0.12 C ATOM 0 H LEU A 140 -6.887 3.108 -4.211 1.00 22.21 H new ATOM 0 HA LEU A 140 -7.717 2.183 -6.737 1.00 63.15 H new ATOM 0 HB2 LEU A 140 -9.162 3.205 -4.977 1.00 3.22 H new ATOM 0 HB3 LEU A 140 -8.400 4.757 -5.263 1.00 3.22 H new ATOM 0 HG LEU A 140 -9.270 4.750 -7.592 1.00 65.03 H new ATOM 0 HD11 LEU A 140 -10.994 3.103 -8.240 1.00 45.41 H new ATOM 0 HD12 LEU A 140 -9.419 2.330 -7.945 1.00 45.41 H new ATOM 0 HD13 LEU A 140 -10.709 2.216 -6.724 1.00 45.41 H new ATOM 0 HD21 LEU A 140 -11.637 5.152 -7.007 1.00 0.12 H new ATOM 0 HD22 LEU A 140 -11.378 4.357 -5.436 1.00 0.12 H new ATOM 0 HD23 LEU A 140 -10.529 5.874 -5.816 1.00 0.12 H new ATOM 2195 N ALA A 141 -5.863 4.911 -6.768 1.00 32.33 N ATOM 2196 CA ALA A 141 -5.061 5.788 -7.634 1.00 71.42 C ATOM 2197 C ALA A 141 -4.092 4.974 -8.508 1.00 33.02 C ATOM 2198 O ALA A 141 -4.042 5.146 -9.728 1.00 41.15 O ATOM 2199 CB ALA A 141 -4.297 6.807 -6.793 1.00 41.44 C ATOM 0 H ALA A 141 -5.728 5.072 -5.770 1.00 32.33 H new ATOM 0 HA ALA A 141 -5.741 6.320 -8.299 1.00 71.42 H new ATOM 0 HB1 ALA A 141 -3.708 7.450 -7.447 1.00 41.44 H new ATOM 0 HB2 ALA A 141 -5.003 7.415 -6.228 1.00 41.44 H new ATOM 0 HB3 ALA A 141 -3.634 6.285 -6.103 1.00 41.44 H new ATOM 2205 N VAL A 142 -3.329 4.084 -7.873 1.00 23.52 N ATOM 2206 CA VAL A 142 -2.426 3.180 -8.597 1.00 71.35 C ATOM 2207 C VAL A 142 -3.203 2.338 -9.624 1.00 51.21 C ATOM 2208 O VAL A 142 -2.786 2.193 -10.777 1.00 54.25 O ATOM 2209 CB VAL A 142 -1.680 2.233 -7.622 1.00 35.21 C ATOM 2210 CG1 VAL A 142 -0.782 1.258 -8.383 1.00 45.33 C ATOM 2211 CG2 VAL A 142 -0.869 3.035 -6.605 1.00 52.00 C ATOM 0 H VAL A 142 -3.316 3.967 -6.860 1.00 23.52 H new ATOM 0 HA VAL A 142 -1.696 3.800 -9.117 1.00 71.35 H new ATOM 0 HB VAL A 142 -2.426 1.650 -7.082 1.00 35.21 H new ATOM 0 HG11 VAL A 142 -0.271 0.606 -7.675 1.00 45.33 H new ATOM 0 HG12 VAL A 142 -1.389 0.655 -9.058 1.00 45.33 H new ATOM 0 HG13 VAL A 142 -0.044 1.817 -8.959 1.00 45.33 H new ATOM 0 HG21 VAL A 142 -0.353 2.351 -5.930 1.00 52.00 H new ATOM 0 HG22 VAL A 142 -0.137 3.650 -7.128 1.00 52.00 H new ATOM 0 HG23 VAL A 142 -1.538 3.676 -6.031 1.00 52.00 H new ATOM 2221 N GLN A 143 -4.337 1.787 -9.188 1.00 54.43 N ATOM 2222 CA GLN A 143 -5.226 1.023 -10.070 1.00 22.43 C ATOM 2223 C GLN A 143 -5.632 1.845 -11.307 1.00 12.21 C ATOM 2224 O GLN A 143 -5.639 1.336 -12.426 1.00 1.44 O ATOM 2225 CB GLN A 143 -6.478 0.574 -9.297 1.00 21.23 C ATOM 2226 CG GLN A 143 -7.372 -0.397 -10.066 1.00 71.01 C ATOM 2227 CD GLN A 143 -8.582 -0.853 -9.263 1.00 14.30 C ATOM 2228 OE1 GLN A 143 -8.553 -0.897 -8.039 1.00 62.44 O ATOM 2229 NE2 GLN A 143 -9.649 -1.217 -9.947 1.00 74.13 N ATOM 0 H GLN A 143 -4.664 1.855 -8.224 1.00 54.43 H new ATOM 0 HA GLN A 143 -4.683 0.144 -10.416 1.00 22.43 H new ATOM 0 HB2 GLN A 143 -6.167 0.103 -8.365 1.00 21.23 H new ATOM 0 HB3 GLN A 143 -7.062 1.455 -9.030 1.00 21.23 H new ATOM 0 HG2 GLN A 143 -7.712 0.080 -10.985 1.00 71.01 H new ATOM 0 HG3 GLN A 143 -6.786 -1.269 -10.357 1.00 71.01 H new ATOM 0 HE21 GLN A 143 -9.643 -1.169 -10.966 1.00 74.13 H new ATOM 0 HE22 GLN A 143 -10.481 -1.546 -9.457 1.00 74.13 H new ATOM 2238 N GLN A 144 -5.960 3.124 -11.096 1.00 72.20 N ATOM 2239 CA GLN A 144 -6.327 4.023 -12.199 1.00 1.25 C ATOM 2240 C GLN A 144 -5.161 4.220 -13.185 1.00 13.22 C ATOM 2241 O GLN A 144 -5.365 4.234 -14.400 1.00 32.32 O ATOM 2242 CB GLN A 144 -6.793 5.387 -11.661 1.00 31.32 C ATOM 2243 CG GLN A 144 -8.100 5.333 -10.873 1.00 53.41 C ATOM 2244 CD GLN A 144 -8.566 6.702 -10.398 1.00 45.41 C ATOM 2245 OE1 GLN A 144 -9.251 6.737 -9.275 1.00 25.10 O flip ATOM 2246 NE2 GLN A 144 -8.312 7.721 -11.035 1.00 13.23 N flip ATOM 0 H GLN A 144 -5.979 3.561 -10.174 1.00 72.20 H new ATOM 0 HA GLN A 144 -7.150 3.552 -12.737 1.00 1.25 H new ATOM 0 HB2 GLN A 144 -6.012 5.799 -11.021 1.00 31.32 H new ATOM 0 HB3 GLN A 144 -6.914 6.074 -12.499 1.00 31.32 H new ATOM 0 HG2 GLN A 144 -8.875 4.888 -11.496 1.00 53.41 H new ATOM 0 HG3 GLN A 144 -7.971 4.680 -10.010 1.00 53.41 H new ATOM 0 HE21 GLN A 144 -7.779 7.661 -11.902 1.00 13.23 H new ATOM 0 HE22 GLN A 144 -8.634 8.628 -10.697 1.00 13.23 H new ATOM 2255 N VAL A 145 -3.943 4.370 -12.660 1.00 0.30 N ATOM 2256 CA VAL A 145 -2.751 4.520 -13.508 1.00 73.13 C ATOM 2257 C VAL A 145 -2.568 3.300 -14.429 1.00 51.20 C ATOM 2258 O VAL A 145 -2.397 3.443 -15.641 1.00 15.55 O ATOM 2259 CB VAL A 145 -1.466 4.722 -12.663 1.00 44.41 C ATOM 2260 CG1 VAL A 145 -0.242 4.886 -13.567 1.00 53.33 C ATOM 2261 CG2 VAL A 145 -1.618 5.922 -11.728 1.00 40.32 C ATOM 0 H VAL A 145 -3.753 4.391 -11.658 1.00 0.30 H new ATOM 0 HA VAL A 145 -2.910 5.410 -14.117 1.00 73.13 H new ATOM 0 HB VAL A 145 -1.316 3.832 -12.051 1.00 44.41 H new ATOM 0 HG11 VAL A 145 0.648 5.026 -12.953 1.00 53.33 H new ATOM 0 HG12 VAL A 145 -0.122 3.994 -14.182 1.00 53.33 H new ATOM 0 HG13 VAL A 145 -0.379 5.755 -14.211 1.00 53.33 H new ATOM 0 HG21 VAL A 145 -0.706 6.046 -11.144 1.00 40.32 H new ATOM 0 HG22 VAL A 145 -1.797 6.822 -12.317 1.00 40.32 H new ATOM 0 HG23 VAL A 145 -2.459 5.755 -11.055 1.00 40.32 H new ATOM 2271 N LEU A 146 -2.619 2.101 -13.847 1.00 32.32 N ATOM 2272 CA LEU A 146 -2.563 0.856 -14.628 1.00 13.11 C ATOM 2273 C LEU A 146 -3.718 0.805 -15.642 1.00 2.02 C ATOM 2274 O LEU A 146 -3.533 0.464 -16.813 1.00 54.42 O ATOM 2275 CB LEU A 146 -2.633 -0.360 -13.692 1.00 44.10 C ATOM 2276 CG LEU A 146 -1.513 -0.447 -12.638 1.00 72.43 C ATOM 2277 CD1 LEU A 146 -1.734 -1.642 -11.713 1.00 54.41 C ATOM 2278 CD2 LEU A 146 -0.141 -0.526 -13.310 1.00 50.24 C ATOM 0 H LEU A 146 -2.699 1.962 -12.840 1.00 32.32 H new ATOM 0 HA LEU A 146 -1.619 0.831 -15.172 1.00 13.11 H new ATOM 0 HB2 LEU A 146 -3.593 -0.346 -13.177 1.00 44.10 H new ATOM 0 HB3 LEU A 146 -2.610 -1.266 -14.298 1.00 44.10 H new ATOM 0 HG LEU A 146 -1.542 0.460 -12.034 1.00 72.43 H new ATOM 0 HD11 LEU A 146 -0.932 -1.685 -10.976 1.00 54.41 H new ATOM 0 HD12 LEU A 146 -2.691 -1.534 -11.202 1.00 54.41 H new ATOM 0 HD13 LEU A 146 -1.737 -2.561 -12.300 1.00 54.41 H new ATOM 0 HD21 LEU A 146 0.635 -0.587 -12.547 1.00 50.24 H new ATOM 0 HD22 LEU A 146 -0.097 -1.412 -13.944 1.00 50.24 H new ATOM 0 HD23 LEU A 146 0.018 0.364 -13.919 1.00 50.24 H new ATOM 2290 N ASP A 147 -4.906 1.173 -15.173 1.00 23.23 N ATOM 2291 CA ASP A 147 -6.106 1.247 -16.009 1.00 11.04 C ATOM 2292 C ASP A 147 -5.984 2.357 -17.079 1.00 11.21 C ATOM 2293 O ASP A 147 -6.762 2.412 -18.035 1.00 24.13 O ATOM 2294 CB ASP A 147 -7.315 1.484 -15.096 1.00 24.40 C ATOM 2295 CG ASP A 147 -8.634 1.546 -15.839 1.00 63.15 C ATOM 2296 OD1 ASP A 147 -9.163 0.478 -16.221 1.00 60.32 O ATOM 2297 OD2 ASP A 147 -9.158 2.663 -16.021 1.00 13.43 O ATOM 0 H ASP A 147 -5.067 1.430 -14.199 1.00 23.23 H new ATOM 0 HA ASP A 147 -6.231 0.309 -16.550 1.00 11.04 H new ATOM 0 HB2 ASP A 147 -7.362 0.686 -14.355 1.00 24.40 H new ATOM 0 HB3 ASP A 147 -7.171 2.417 -14.551 1.00 24.40 H new