USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 897 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 26 TYR OH : rot 165:sc= 0 USER MOD Set 1.2: A 118 THR OG1 : rot 180:sc= -0.151 USER MOD Set 2.1: A 71 THR OG1 : rot 134:sc= 1.24 USER MOD Set 2.2: A 77 THR OG1 : rot 170:sc= 0.569 USER MOD Set 3.1: A 63 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 87 GLN : amide:sc= -0.929 K(o=-0.93,f=-1.9!) USER MOD Set 4.1: A 62 SER OG : rot 82:sc= -0.722 USER MOD Set 4.2: A 88 ASN : amide:sc= -3.17! C(o=-3.9!,f=-3.4!) USER MOD Set 5.1: A 31 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.175 K(o=-0.18,f=-1) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -2.59! C(o=-2.6!,f=-7.1!) USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.191 K(o=-0.19,f=-1.1) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl -169:sc= -2.73! (180deg=-2.8) USER MOD Single : A 34 THR OG1 : rot -63:sc= 0.603 USER MOD Single : A 45 GLN : amide:sc= -1.51 K(o=-1.5,f=0) USER MOD Single : A 54 SER OG : rot -46:sc= 0.173 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HE2:sc= -4.33! C(o=-4.3!,f=-5!) USER MOD Single : A 70 MET CE :methyl -147:sc= -9.25! (180deg=-14.6!) USER MOD Single : A 73 MET CE :methyl 134:sc= -1.57 (180deg=-4.37!) USER MOD Single : A 74 TYR OH : rot -32:sc= 0.11 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -3.5! K(o=-3.5!,f=-0.28) USER MOD Single : A 90 MET CE :methyl -162:sc= -0.77 (180deg=-0.949) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -6.27! C(o=-6.3!,f=-4.6!) USER MOD Single : A 95 GLN : amide:sc= -0.774 X(o=-0.77,f=-0.85) USER MOD Single : A 96 MET CE :methyl 165:sc= 0 (180deg=-0.44) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 HIS : no HE2:sc= -1.24 K(o=-1.2,f=-2.8!) USER MOD Single : A 106 ASN : amide:sc=-0.00067 X(o=-0.00067,f=-0.14) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot -141:sc= -0.306 USER MOD Single : A 111 GLN : amide:sc= -1.72 X(o=-1.7,f=-1.4) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot -75:sc= 0.172 USER MOD Single : A 122 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 109 N LEU A 8 -3.369 10.827 5.971 1.00 43.15 N ATOM 110 CA LEU A 8 -4.546 10.522 6.775 1.00 33.45 C ATOM 111 C LEU A 8 -5.384 11.774 7.012 1.00 1.15 C ATOM 112 O LEU A 8 -6.606 11.700 7.145 1.00 4.12 O ATOM 113 CB LEU A 8 -4.129 9.912 8.115 1.00 4.51 C ATOM 114 CG LEU A 8 -3.452 8.543 8.048 1.00 71.11 C ATOM 115 CD1 LEU A 8 -3.534 7.840 9.394 1.00 13.31 C ATOM 116 CD2 LEU A 8 -4.085 7.689 6.959 1.00 65.51 C ATOM 0 HA LEU A 8 -5.152 9.800 6.227 1.00 33.45 H new ATOM 0 HB2 LEU A 8 -3.451 10.606 8.612 1.00 4.51 H new ATOM 0 HB3 LEU A 8 -5.015 9.826 8.744 1.00 4.51 H new ATOM 0 HG LEU A 8 -2.400 8.690 7.802 1.00 71.11 H new ATOM 0 HD11 LEU A 8 -3.047 6.867 9.327 1.00 13.31 H new ATOM 0 HD12 LEU A 8 -3.034 8.444 10.151 1.00 13.31 H new ATOM 0 HD13 LEU A 8 -4.580 7.704 9.670 1.00 13.31 H new ATOM 0 HD21 LEU A 8 -3.591 6.718 6.925 1.00 65.51 H new ATOM 0 HD22 LEU A 8 -5.144 7.550 7.175 1.00 65.51 H new ATOM 0 HD23 LEU A 8 -3.974 8.187 5.996 1.00 65.51 H new ATOM 128 N ASP A 9 -4.719 12.923 7.062 1.00 11.23 N ATOM 129 CA ASP A 9 -5.402 14.193 7.280 1.00 55.02 C ATOM 130 C ASP A 9 -6.537 14.378 6.277 1.00 42.43 C ATOM 131 O ASP A 9 -7.555 14.996 6.586 1.00 75.14 O ATOM 132 CB ASP A 9 -4.413 15.354 7.170 1.00 11.31 C ATOM 133 CG ASP A 9 -3.860 15.773 8.518 1.00 14.22 C ATOM 134 OD1 ASP A 9 -3.779 14.913 9.419 1.00 33.51 O ATOM 135 OD2 ASP A 9 -3.510 16.962 8.673 1.00 42.14 O ATOM 0 H ASP A 9 -3.708 13.001 6.955 1.00 11.23 H new ATOM 0 HA ASP A 9 -5.826 14.182 8.284 1.00 55.02 H new ATOM 0 HB2 ASP A 9 -3.590 15.065 6.517 1.00 11.31 H new ATOM 0 HB3 ASP A 9 -4.907 16.206 6.703 1.00 11.31 H new ATOM 140 N GLN A 10 -6.352 13.840 5.076 1.00 44.55 N ATOM 141 CA GLN A 10 -7.359 13.949 4.027 1.00 30.30 C ATOM 142 C GLN A 10 -8.634 13.209 4.418 1.00 22.45 C ATOM 143 O GLN A 10 -9.741 13.670 4.141 1.00 33.32 O ATOM 144 CB GLN A 10 -6.816 13.392 2.710 1.00 53.34 C ATOM 145 CG GLN A 10 -5.465 13.968 2.317 1.00 60.50 C ATOM 146 CD GLN A 10 -5.457 15.483 2.305 1.00 53.43 C ATOM 147 OE1 GLN A 10 -6.476 16.119 2.032 1.00 33.31 O ATOM 148 NE2 GLN A 10 -4.305 16.072 2.601 1.00 45.20 N ATOM 0 H GLN A 10 -5.515 13.324 4.805 1.00 44.55 H new ATOM 0 HA GLN A 10 -7.598 15.004 3.896 1.00 30.30 H new ATOM 0 HB2 GLN A 10 -6.730 12.308 2.791 1.00 53.34 H new ATOM 0 HB3 GLN A 10 -7.534 13.596 1.915 1.00 53.34 H new ATOM 0 HG2 GLN A 10 -4.706 13.610 3.012 1.00 60.50 H new ATOM 0 HG3 GLN A 10 -5.191 13.599 1.329 1.00 60.50 H new ATOM 0 HE21 GLN A 10 -3.485 15.507 2.821 1.00 45.20 H new ATOM 0 HE22 GLN A 10 -4.240 17.090 2.608 1.00 45.20 H new ATOM 157 N TYR A 11 -8.470 12.059 5.064 1.00 40.14 N ATOM 158 CA TYR A 11 -9.608 11.254 5.491 1.00 62.52 C ATOM 159 C TYR A 11 -10.444 11.998 6.527 1.00 54.34 C ATOM 160 O TYR A 11 -11.639 11.742 6.677 1.00 32.22 O ATOM 161 CB TYR A 11 -9.128 9.921 6.069 1.00 43.21 C ATOM 162 CG TYR A 11 -8.485 9.013 5.045 1.00 44.40 C ATOM 163 CD1 TYR A 11 -9.032 8.867 3.776 1.00 25.23 C ATOM 164 CD2 TYR A 11 -7.329 8.303 5.346 1.00 30.02 C ATOM 165 CE1 TYR A 11 -8.448 8.038 2.838 1.00 24.11 C ATOM 166 CE2 TYR A 11 -6.737 7.473 4.414 1.00 74.12 C ATOM 167 CZ TYR A 11 -7.301 7.343 3.161 1.00 3.34 C ATOM 168 OH TYR A 11 -6.715 6.518 2.229 1.00 31.32 O ATOM 0 H TYR A 11 -7.560 11.664 5.303 1.00 40.14 H new ATOM 0 HA TYR A 11 -10.232 11.061 4.618 1.00 62.52 H new ATOM 0 HB2 TYR A 11 -8.413 10.118 6.868 1.00 43.21 H new ATOM 0 HB3 TYR A 11 -9.975 9.404 6.520 1.00 43.21 H new ATOM 0 HD1 TYR A 11 -9.929 9.411 3.519 1.00 25.23 H new ATOM 0 HD2 TYR A 11 -6.886 8.402 6.326 1.00 30.02 H new ATOM 0 HE1 TYR A 11 -8.887 7.935 1.857 1.00 24.11 H new ATOM 0 HE2 TYR A 11 -5.838 6.929 4.664 1.00 74.12 H new ATOM 0 HH TYR A 11 -5.915 6.104 2.616 1.00 31.32 H new ATOM 178 N TYR A 12 -9.808 12.922 7.238 1.00 41.12 N ATOM 179 CA TYR A 12 -10.491 13.704 8.261 1.00 14.12 C ATOM 180 C TYR A 12 -11.660 14.481 7.663 1.00 0.40 C ATOM 181 O TYR A 12 -12.708 14.626 8.290 1.00 15.34 O ATOM 182 CB TYR A 12 -9.513 14.669 8.933 1.00 13.15 C ATOM 183 CG TYR A 12 -9.708 14.785 10.428 1.00 13.13 C ATOM 184 CD1 TYR A 12 -9.847 13.652 11.220 1.00 22.25 C ATOM 185 CD2 TYR A 12 -9.755 16.027 11.049 1.00 50.44 C ATOM 186 CE1 TYR A 12 -10.026 13.753 12.587 1.00 61.24 C ATOM 187 CE2 TYR A 12 -9.932 16.138 12.414 1.00 32.21 C ATOM 188 CZ TYR A 12 -10.067 14.998 13.179 1.00 74.23 C ATOM 189 OH TYR A 12 -10.245 15.104 14.539 1.00 35.31 O ATOM 0 H TYR A 12 -8.820 13.148 7.125 1.00 41.12 H new ATOM 0 HA TYR A 12 -10.882 13.014 9.009 1.00 14.12 H new ATOM 0 HB2 TYR A 12 -8.494 14.338 8.733 1.00 13.15 H new ATOM 0 HB3 TYR A 12 -9.622 15.656 8.483 1.00 13.15 H new ATOM 0 HD1 TYR A 12 -9.815 12.676 10.760 1.00 22.25 H new ATOM 0 HD2 TYR A 12 -9.651 16.922 10.453 1.00 50.44 H new ATOM 0 HE1 TYR A 12 -10.133 12.862 13.188 1.00 61.24 H new ATOM 0 HE2 TYR A 12 -9.965 17.112 12.880 1.00 32.21 H new ATOM 0 HH TYR A 12 -10.249 16.050 14.796 1.00 35.31 H new ATOM 199 N GLU A 13 -11.470 14.979 6.445 1.00 62.42 N ATOM 200 CA GLU A 13 -12.508 15.741 5.761 1.00 3.32 C ATOM 201 C GLU A 13 -13.711 14.858 5.442 1.00 45.43 C ATOM 202 O GLU A 13 -14.858 15.266 5.624 1.00 73.44 O ATOM 203 CB GLU A 13 -11.956 16.356 4.473 1.00 25.42 C ATOM 204 CG GLU A 13 -10.698 17.182 4.683 1.00 24.43 C ATOM 205 CD GLU A 13 -10.904 18.650 4.366 1.00 32.00 C ATOM 206 OE1 GLU A 13 -11.405 18.953 3.263 1.00 53.11 O ATOM 207 OE2 GLU A 13 -10.565 19.496 5.220 1.00 62.52 O ATOM 0 H GLU A 13 -10.607 14.868 5.912 1.00 62.42 H new ATOM 0 HA GLU A 13 -12.833 16.541 6.426 1.00 3.32 H new ATOM 0 HB2 GLU A 13 -11.742 15.558 3.762 1.00 25.42 H new ATOM 0 HB3 GLU A 13 -12.723 16.986 4.023 1.00 25.42 H new ATOM 0 HG2 GLU A 13 -10.370 17.080 5.717 1.00 24.43 H new ATOM 0 HG3 GLU A 13 -9.900 16.787 4.055 1.00 24.43 H new ATOM 214 N ILE A 14 -13.439 13.649 4.964 1.00 24.42 N ATOM 215 CA ILE A 14 -14.498 12.708 4.620 1.00 44.12 C ATOM 216 C ILE A 14 -15.249 12.246 5.864 1.00 44.11 C ATOM 217 O ILE A 14 -16.477 12.165 5.864 1.00 24.15 O ATOM 218 CB ILE A 14 -13.939 11.476 3.884 1.00 22.10 C ATOM 219 CG1 ILE A 14 -13.341 11.887 2.537 1.00 23.20 C ATOM 220 CG2 ILE A 14 -15.031 10.435 3.689 1.00 31.23 C ATOM 221 CD1 ILE A 14 -11.845 12.107 2.582 1.00 61.10 C ATOM 0 H ILE A 14 -12.495 13.298 4.806 1.00 24.42 H new ATOM 0 HA ILE A 14 -15.186 13.235 3.959 1.00 44.12 H new ATOM 0 HB ILE A 14 -13.149 11.036 4.492 1.00 22.10 H new ATOM 0 HG12 ILE A 14 -13.565 11.117 1.799 1.00 23.20 H new ATOM 0 HG13 ILE A 14 -13.825 12.803 2.198 1.00 23.20 H new ATOM 0 HG21 ILE A 14 -14.620 9.570 3.167 1.00 31.23 H new ATOM 0 HG22 ILE A 14 -15.415 10.124 4.661 1.00 31.23 H new ATOM 0 HG23 ILE A 14 -15.841 10.864 3.099 1.00 31.23 H new ATOM 0 HD11 ILE A 14 -11.490 12.396 1.593 1.00 61.10 H new ATOM 0 HD12 ILE A 14 -11.615 12.898 3.296 1.00 61.10 H new ATOM 0 HD13 ILE A 14 -11.351 11.186 2.890 1.00 61.10 H new ATOM 233 N GLN A 15 -14.502 11.947 6.922 1.00 70.51 N ATOM 234 CA GLN A 15 -15.098 11.494 8.173 1.00 30.23 C ATOM 235 C GLN A 15 -15.957 12.590 8.795 1.00 3.13 C ATOM 236 O GLN A 15 -17.083 12.340 9.227 1.00 42.31 O ATOM 237 CB GLN A 15 -14.007 11.065 9.156 1.00 34.52 C ATOM 238 CG GLN A 15 -13.197 9.869 8.682 1.00 73.21 C ATOM 239 CD GLN A 15 -12.175 9.414 9.704 1.00 22.05 C ATOM 240 OE1 GLN A 15 -12.200 9.843 10.858 1.00 13.23 O ATOM 241 NE2 GLN A 15 -11.267 8.540 9.286 1.00 60.11 N ATOM 0 H GLN A 15 -13.484 12.010 6.938 1.00 70.51 H new ATOM 0 HA GLN A 15 -15.736 10.638 7.953 1.00 30.23 H new ATOM 0 HB2 GLN A 15 -13.333 11.905 9.327 1.00 34.52 H new ATOM 0 HB3 GLN A 15 -14.467 10.825 10.114 1.00 34.52 H new ATOM 0 HG2 GLN A 15 -13.873 9.044 8.457 1.00 73.21 H new ATOM 0 HG3 GLN A 15 -12.687 10.125 7.753 1.00 73.21 H new ATOM 0 HE21 GLN A 15 -11.283 8.210 8.321 1.00 60.11 H new ATOM 0 HE22 GLN A 15 -10.554 8.198 9.930 1.00 60.11 H new ATOM 250 N CYS A 16 -15.418 13.804 8.838 1.00 20.42 N ATOM 251 CA CYS A 16 -16.135 14.939 9.409 1.00 62.41 C ATOM 252 C CYS A 16 -17.427 15.206 8.643 1.00 5.34 C ATOM 253 O CYS A 16 -18.452 15.539 9.235 1.00 55.30 O ATOM 254 CB CYS A 16 -15.251 16.186 9.394 1.00 42.42 C ATOM 255 SG CYS A 16 -15.955 17.601 10.273 1.00 72.22 S ATOM 0 H CYS A 16 -14.488 14.027 8.485 1.00 20.42 H new ATOM 0 HA CYS A 16 -16.390 14.696 10.441 1.00 62.41 H new ATOM 0 HB2 CYS A 16 -14.286 15.940 9.838 1.00 42.42 H new ATOM 0 HB3 CYS A 16 -15.062 16.472 8.359 1.00 42.42 H new ATOM 0 HG CYS A 16 -15.133 18.606 10.206 1.00 72.22 H new ATOM 261 N ASN A 17 -17.367 15.060 7.324 1.00 74.03 N ATOM 262 CA ASN A 17 -18.532 15.288 6.476 1.00 13.35 C ATOM 263 C ASN A 17 -19.682 14.367 6.872 1.00 21.33 C ATOM 264 O ASN A 17 -20.850 14.742 6.781 1.00 12.14 O ATOM 265 CB ASN A 17 -18.171 15.068 5.006 1.00 4.42 C ATOM 266 CG ASN A 17 -18.215 16.353 4.201 1.00 35.13 C ATOM 267 OD1 ASN A 17 -19.013 17.247 4.483 1.00 40.40 O ATOM 268 ND2 ASN A 17 -17.357 16.449 3.193 1.00 42.31 N ATOM 0 H ASN A 17 -16.525 14.785 6.819 1.00 74.03 H new ATOM 0 HA ASN A 17 -18.853 16.321 6.613 1.00 13.35 H new ATOM 0 HB2 ASN A 17 -17.173 14.636 4.941 1.00 4.42 H new ATOM 0 HB3 ASN A 17 -18.860 14.345 4.570 1.00 4.42 H new ATOM 0 HD21 ASN A 17 -17.341 17.289 2.615 1.00 42.31 H new ATOM 0 HD22 ASN A 17 -16.714 15.682 2.996 1.00 42.31 H new ATOM 275 N GLU A 18 -19.341 13.159 7.312 1.00 2.40 N ATOM 276 CA GLU A 18 -20.345 12.184 7.721 1.00 1.54 C ATOM 277 C GLU A 18 -21.059 12.639 8.991 1.00 52.51 C ATOM 278 O GLU A 18 -22.268 12.454 9.137 1.00 12.31 O ATOM 279 CB GLU A 18 -19.697 10.817 7.950 1.00 51.22 C ATOM 280 CG GLU A 18 -19.581 9.980 6.687 1.00 0.11 C ATOM 281 CD GLU A 18 -18.631 8.810 6.848 1.00 23.55 C ATOM 282 OE1 GLU A 18 -17.424 9.051 7.060 1.00 63.22 O ATOM 283 OE2 GLU A 18 -19.093 7.653 6.763 1.00 34.14 O ATOM 0 H GLU A 18 -18.378 12.833 7.394 1.00 2.40 H new ATOM 0 HA GLU A 18 -21.080 12.100 6.921 1.00 1.54 H new ATOM 0 HB2 GLU A 18 -18.703 10.962 8.373 1.00 51.22 H new ATOM 0 HB3 GLU A 18 -20.280 10.267 8.688 1.00 51.22 H new ATOM 0 HG2 GLU A 18 -20.567 9.607 6.411 1.00 0.11 H new ATOM 0 HG3 GLU A 18 -19.238 10.611 5.867 1.00 0.11 H new ATOM 290 N LEU A 19 -20.303 13.235 9.907 1.00 53.14 N ATOM 291 CA LEU A 19 -20.863 13.717 11.165 1.00 64.21 C ATOM 292 C LEU A 19 -21.921 14.787 10.916 1.00 23.12 C ATOM 293 O LEU A 19 -23.038 14.697 11.423 1.00 75.03 O ATOM 294 CB LEU A 19 -19.754 14.277 12.057 1.00 2.32 C ATOM 295 CG LEU A 19 -18.940 13.248 12.843 1.00 12.51 C ATOM 296 CD1 LEU A 19 -18.319 12.228 11.902 1.00 20.24 C ATOM 297 CD2 LEU A 19 -17.865 13.938 13.670 1.00 30.03 C ATOM 0 H LEU A 19 -19.301 13.396 9.802 1.00 53.14 H new ATOM 0 HA LEU A 19 -21.337 12.875 11.670 1.00 64.21 H new ATOM 0 HB2 LEU A 19 -19.070 14.852 11.434 1.00 2.32 H new ATOM 0 HB3 LEU A 19 -20.202 14.974 12.765 1.00 2.32 H new ATOM 0 HG LEU A 19 -19.612 12.723 13.522 1.00 12.51 H new ATOM 0 HD11 LEU A 19 -17.744 11.504 12.479 1.00 20.24 H new ATOM 0 HD12 LEU A 19 -19.107 11.712 11.354 1.00 20.24 H new ATOM 0 HD13 LEU A 19 -17.661 12.736 11.198 1.00 20.24 H new ATOM 0 HD21 LEU A 19 -17.296 13.191 14.223 1.00 30.03 H new ATOM 0 HD22 LEU A 19 -17.195 14.489 13.009 1.00 30.03 H new ATOM 0 HD23 LEU A 19 -18.333 14.629 14.371 1.00 30.03 H new ATOM 309 N GLU A 20 -21.560 15.798 10.131 1.00 20.54 N ATOM 310 CA GLU A 20 -22.480 16.884 9.815 1.00 63.12 C ATOM 311 C GLU A 20 -23.615 16.393 8.921 1.00 64.33 C ATOM 312 O GLU A 20 -24.749 16.856 9.030 1.00 75.14 O ATOM 313 CB GLU A 20 -21.734 18.029 9.127 1.00 4.45 C ATOM 314 CG GLU A 20 -20.675 17.562 8.143 1.00 51.23 C ATOM 315 CD GLU A 20 -20.165 18.684 7.259 1.00 25.22 C ATOM 316 OE1 GLU A 20 -19.229 19.394 7.684 1.00 12.13 O ATOM 317 OE2 GLU A 20 -20.700 18.852 6.144 1.00 63.34 O ATOM 0 H GLU A 20 -20.638 15.887 9.703 1.00 20.54 H new ATOM 0 HA GLU A 20 -22.908 17.247 10.749 1.00 63.12 H new ATOM 0 HB2 GLU A 20 -22.454 18.657 8.602 1.00 4.45 H new ATOM 0 HB3 GLU A 20 -21.262 18.652 9.887 1.00 4.45 H new ATOM 0 HG2 GLU A 20 -19.839 17.129 8.693 1.00 51.23 H new ATOM 0 HG3 GLU A 20 -21.089 16.771 7.517 1.00 51.23 H new ATOM 324 N ALA A 21 -23.299 15.452 8.037 1.00 43.25 N ATOM 325 CA ALA A 21 -24.291 14.897 7.125 1.00 70.24 C ATOM 326 C ALA A 21 -25.367 14.129 7.885 1.00 23.12 C ATOM 327 O ALA A 21 -26.559 14.289 7.623 1.00 72.53 O ATOM 328 CB ALA A 21 -23.620 13.994 6.100 1.00 24.25 C ATOM 0 H ALA A 21 -22.364 15.058 7.933 1.00 43.25 H new ATOM 0 HA ALA A 21 -24.772 15.725 6.604 1.00 70.24 H new ATOM 0 HB1 ALA A 21 -24.373 13.587 5.426 1.00 24.25 H new ATOM 0 HB2 ALA A 21 -22.894 14.571 5.527 1.00 24.25 H new ATOM 0 HB3 ALA A 21 -23.112 13.177 6.612 1.00 24.25 H new ATOM 334 N ILE A 22 -24.938 13.296 8.827 1.00 20.32 N ATOM 335 CA ILE A 22 -25.865 12.504 9.626 1.00 73.34 C ATOM 336 C ILE A 22 -26.525 13.354 10.706 1.00 72.20 C ATOM 337 O ILE A 22 -27.691 13.149 11.045 1.00 2.24 O ATOM 338 CB ILE A 22 -25.157 11.308 10.290 1.00 53.20 C ATOM 339 CG1 ILE A 22 -25.177 10.094 9.359 1.00 15.02 C ATOM 340 CG2 ILE A 22 -25.817 10.974 11.620 1.00 42.33 C ATOM 341 CD1 ILE A 22 -25.096 10.455 7.893 1.00 53.54 C ATOM 0 H ILE A 22 -23.954 13.152 9.056 1.00 20.32 H new ATOM 0 HA ILE A 22 -26.629 12.130 8.944 1.00 73.34 H new ATOM 0 HB ILE A 22 -24.118 11.579 10.480 1.00 53.20 H new ATOM 0 HG12 ILE A 22 -24.342 9.440 9.610 1.00 15.02 H new ATOM 0 HG13 ILE A 22 -26.091 9.526 9.535 1.00 15.02 H new ATOM 0 HG21 ILE A 22 -25.306 10.127 12.077 1.00 42.33 H new ATOM 0 HG22 ILE A 22 -25.755 11.836 12.284 1.00 42.33 H new ATOM 0 HG23 ILE A 22 -26.864 10.719 11.453 1.00 42.33 H new ATOM 0 HD11 ILE A 22 -25.115 9.545 7.293 1.00 53.54 H new ATOM 0 HD12 ILE A 22 -25.945 11.084 7.626 1.00 53.54 H new ATOM 0 HD13 ILE A 22 -24.169 10.996 7.702 1.00 53.54 H new ATOM 353 N ARG A 23 -25.773 14.309 11.241 1.00 4.43 N ATOM 354 CA ARG A 23 -26.284 15.192 12.283 1.00 75.40 C ATOM 355 C ARG A 23 -27.587 15.854 11.843 1.00 62.11 C ATOM 356 O ARG A 23 -28.487 16.076 12.653 1.00 62.50 O ATOM 357 CB ARG A 23 -25.248 16.261 12.630 1.00 44.51 C ATOM 358 CG ARG A 23 -24.356 15.888 13.803 1.00 14.12 C ATOM 359 CD ARG A 23 -22.975 16.512 13.674 1.00 34.44 C ATOM 360 NE ARG A 23 -22.549 17.159 14.912 1.00 33.33 N ATOM 361 CZ ARG A 23 -23.203 18.168 15.477 1.00 40.03 C ATOM 362 NH1 ARG A 23 -24.307 18.643 14.917 1.00 32.30 N ATOM 363 NH2 ARG A 23 -22.753 18.704 16.604 1.00 44.32 N ATOM 0 H ARG A 23 -24.807 14.492 10.970 1.00 4.43 H new ATOM 0 HA ARG A 23 -26.483 14.589 13.169 1.00 75.40 H new ATOM 0 HB2 ARG A 23 -24.625 16.448 11.756 1.00 44.51 H new ATOM 0 HB3 ARG A 23 -25.764 17.194 12.859 1.00 44.51 H new ATOM 0 HG2 ARG A 23 -24.820 16.217 14.733 1.00 14.12 H new ATOM 0 HG3 ARG A 23 -24.262 14.804 13.860 1.00 14.12 H new ATOM 0 HD2 ARG A 23 -22.253 15.742 13.400 1.00 34.44 H new ATOM 0 HD3 ARG A 23 -22.982 17.244 12.866 1.00 34.44 H new ATOM 0 HE ARG A 23 -21.703 16.817 15.368 1.00 33.33 H new ATOM 0 HH11 ARG A 23 -24.656 18.234 14.050 1.00 32.30 H new ATOM 0 HH12 ARG A 23 -24.807 19.418 15.353 1.00 32.30 H new ATOM 0 HH21 ARG A 23 -21.904 18.341 17.038 1.00 44.32 H new ATOM 0 HH22 ARG A 23 -23.256 19.479 17.037 1.00 44.32 H new ATOM 377 N SER A 24 -27.679 16.168 10.555 1.00 72.13 N ATOM 378 CA SER A 24 -28.869 16.809 10.008 1.00 72.15 C ATOM 379 C SER A 24 -30.068 15.867 10.064 1.00 12.24 C ATOM 380 O SER A 24 -31.209 16.306 10.215 1.00 21.20 O ATOM 381 CB SER A 24 -28.619 17.248 8.564 1.00 54.35 C ATOM 382 OG SER A 24 -28.759 18.652 8.426 1.00 24.21 O ATOM 0 H SER A 24 -26.944 15.989 9.871 1.00 72.13 H new ATOM 0 HA SER A 24 -29.090 17.687 10.615 1.00 72.15 H new ATOM 0 HB2 SER A 24 -27.617 16.947 8.258 1.00 54.35 H new ATOM 0 HB3 SER A 24 -29.320 16.742 7.900 1.00 54.35 H new ATOM 0 HG SER A 24 -28.593 18.907 7.495 1.00 24.21 H new ATOM 388 N ILE A 25 -29.801 14.571 9.943 1.00 41.44 N ATOM 389 CA ILE A 25 -30.857 13.567 9.981 1.00 2.21 C ATOM 390 C ILE A 25 -31.283 13.272 11.415 1.00 1.32 C ATOM 391 O ILE A 25 -32.474 13.198 11.717 1.00 32.30 O ATOM 392 CB ILE A 25 -30.410 12.255 9.310 1.00 73.11 C ATOM 393 CG1 ILE A 25 -30.011 12.511 7.855 1.00 23.23 C ATOM 394 CG2 ILE A 25 -31.520 11.217 9.385 1.00 13.23 C ATOM 395 CD1 ILE A 25 -28.714 11.841 7.458 1.00 21.01 C ATOM 0 H ILE A 25 -28.862 14.192 9.818 1.00 41.44 H new ATOM 0 HA ILE A 25 -31.703 13.977 9.430 1.00 2.21 H new ATOM 0 HB ILE A 25 -29.541 11.869 9.843 1.00 73.11 H new ATOM 0 HG12 ILE A 25 -30.808 12.158 7.201 1.00 23.23 H new ATOM 0 HG13 ILE A 25 -29.919 13.585 7.695 1.00 23.23 H new ATOM 0 HG21 ILE A 25 -31.189 10.295 8.907 1.00 13.23 H new ATOM 0 HG22 ILE A 25 -31.762 11.017 10.429 1.00 13.23 H new ATOM 0 HG23 ILE A 25 -32.406 11.594 8.873 1.00 13.23 H new ATOM 0 HD11 ILE A 25 -28.493 12.065 6.414 1.00 21.01 H new ATOM 0 HD12 ILE A 25 -27.905 12.212 8.088 1.00 21.01 H new ATOM 0 HD13 ILE A 25 -28.808 10.763 7.585 1.00 21.01 H new ATOM 407 N TYR A 26 -30.302 13.107 12.296 1.00 51.03 N ATOM 408 CA TYR A 26 -30.575 12.820 13.699 1.00 71.32 C ATOM 409 C TYR A 26 -30.181 13.999 14.583 1.00 24.31 C ATOM 410 O TYR A 26 -29.543 13.824 15.621 1.00 13.13 O ATOM 411 CB TYR A 26 -29.823 11.563 14.140 1.00 44.04 C ATOM 412 CG TYR A 26 -30.210 10.323 13.366 1.00 64.10 C ATOM 413 CD1 TYR A 26 -31.534 9.907 13.299 1.00 41.41 C ATOM 414 CD2 TYR A 26 -29.251 9.566 12.703 1.00 15.21 C ATOM 415 CE1 TYR A 26 -31.892 8.775 12.594 1.00 74.31 C ATOM 416 CE2 TYR A 26 -29.601 8.433 11.995 1.00 61.05 C ATOM 417 CZ TYR A 26 -30.922 8.041 11.943 1.00 14.21 C ATOM 418 OH TYR A 26 -31.274 6.912 11.239 1.00 14.25 O ATOM 0 H TYR A 26 -29.311 13.167 12.063 1.00 51.03 H new ATOM 0 HA TYR A 26 -31.646 12.651 13.807 1.00 71.32 H new ATOM 0 HB2 TYR A 26 -28.752 11.732 14.027 1.00 44.04 H new ATOM 0 HB3 TYR A 26 -30.009 11.392 15.200 1.00 44.04 H new ATOM 0 HD1 TYR A 26 -32.296 10.479 13.807 1.00 41.41 H new ATOM 0 HD2 TYR A 26 -28.215 9.869 12.742 1.00 15.21 H new ATOM 0 HE1 TYR A 26 -32.926 8.466 12.552 1.00 74.31 H new ATOM 0 HE2 TYR A 26 -28.844 7.857 11.484 1.00 61.05 H new ATOM 0 HH TYR A 26 -30.535 6.649 10.651 1.00 14.25 H new ATOM 428 N MET A 27 -30.565 15.199 14.163 1.00 13.52 N ATOM 429 CA MET A 27 -30.254 16.408 14.917 1.00 1.23 C ATOM 430 C MET A 27 -30.429 16.175 16.415 1.00 54.34 C ATOM 431 O MET A 27 -29.627 16.642 17.223 1.00 1.01 O ATOM 432 CB MET A 27 -31.147 17.564 14.461 1.00 24.20 C ATOM 433 CG MET A 27 -31.140 17.779 12.956 1.00 11.33 C ATOM 434 SD MET A 27 -32.796 17.754 12.244 1.00 73.32 S ATOM 435 CE MET A 27 -33.331 16.103 12.689 1.00 43.04 C ATOM 0 H MET A 27 -31.092 15.361 13.305 1.00 13.52 H new ATOM 0 HA MET A 27 -29.212 16.667 14.727 1.00 1.23 H new ATOM 0 HB2 MET A 27 -32.169 17.374 14.788 1.00 24.20 H new ATOM 0 HB3 MET A 27 -30.820 18.481 14.952 1.00 24.20 H new ATOM 0 HG2 MET A 27 -30.666 18.735 12.732 1.00 11.33 H new ATOM 0 HG3 MET A 27 -30.534 17.005 12.485 1.00 11.33 H new ATOM 0 HE1 MET A 27 -34.252 15.863 12.157 1.00 43.04 H new ATOM 0 HE2 MET A 27 -32.558 15.384 12.418 1.00 43.04 H new ATOM 0 HE3 MET A 27 -33.510 16.056 13.763 1.00 43.04 H new ATOM 445 N ASP A 28 -31.483 15.452 16.777 1.00 60.34 N ATOM 446 CA ASP A 28 -31.763 15.156 18.177 1.00 51.41 C ATOM 447 C ASP A 28 -31.437 13.702 18.501 1.00 22.04 C ATOM 448 O ASP A 28 -31.122 13.366 19.643 1.00 24.11 O ATOM 449 CB ASP A 28 -33.230 15.447 18.498 1.00 20.20 C ATOM 450 CG ASP A 28 -33.595 16.901 18.274 1.00 4.35 C ATOM 451 OD1 ASP A 28 -33.436 17.704 19.218 1.00 75.12 O ATOM 452 OD2 ASP A 28 -34.039 17.237 17.156 1.00 21.14 O ATOM 0 H ASP A 28 -32.158 15.060 16.120 1.00 60.34 H new ATOM 0 HA ASP A 28 -31.131 15.796 18.792 1.00 51.41 H new ATOM 0 HB2 ASP A 28 -33.867 14.816 17.878 1.00 20.20 H new ATOM 0 HB3 ASP A 28 -33.431 15.181 19.536 1.00 20.20 H new ATOM 457 N ASP A 29 -31.516 12.844 17.490 1.00 24.35 N ATOM 458 CA ASP A 29 -31.229 11.425 17.668 1.00 63.01 C ATOM 459 C ASP A 29 -29.733 11.154 17.545 1.00 24.44 C ATOM 460 O ASP A 29 -29.319 10.071 17.130 1.00 73.04 O ATOM 461 CB ASP A 29 -31.996 10.595 16.638 1.00 72.14 C ATOM 462 CG ASP A 29 -33.434 10.345 17.050 1.00 45.31 C ATOM 463 OD1 ASP A 29 -33.646 9.690 18.091 1.00 33.02 O ATOM 464 OD2 ASP A 29 -34.346 10.805 16.331 1.00 62.41 O ATOM 0 H ASP A 29 -31.776 13.106 16.539 1.00 24.35 H new ATOM 0 HA ASP A 29 -31.551 11.137 18.669 1.00 63.01 H new ATOM 0 HB2 ASP A 29 -31.981 11.109 15.677 1.00 72.14 H new ATOM 0 HB3 ASP A 29 -31.490 9.640 16.496 1.00 72.14 H new ATOM 469 N PHE A 30 -28.925 12.144 17.909 1.00 10.33 N ATOM 470 CA PHE A 30 -27.474 12.013 17.838 1.00 14.43 C ATOM 471 C PHE A 30 -26.859 12.022 19.234 1.00 24.54 C ATOM 472 O PHE A 30 -27.350 12.698 20.139 1.00 22.30 O ATOM 473 CB PHE A 30 -26.879 13.146 17.000 1.00 53.44 C ATOM 474 CG PHE A 30 -25.444 13.445 17.327 1.00 31.32 C ATOM 475 CD1 PHE A 30 -25.108 14.079 18.512 1.00 24.54 C ATOM 476 CD2 PHE A 30 -24.432 13.092 16.450 1.00 64.34 C ATOM 477 CE1 PHE A 30 -23.788 14.354 18.817 1.00 1.22 C ATOM 478 CE2 PHE A 30 -23.110 13.364 16.749 1.00 13.42 C ATOM 479 CZ PHE A 30 -22.788 13.997 17.934 1.00 50.52 C ATOM 0 H PHE A 30 -29.250 13.046 18.256 1.00 10.33 H new ATOM 0 HA PHE A 30 -27.243 11.059 17.364 1.00 14.43 H new ATOM 0 HB2 PHE A 30 -26.956 12.885 15.944 1.00 53.44 H new ATOM 0 HB3 PHE A 30 -27.473 14.048 17.149 1.00 53.44 H new ATOM 0 HD1 PHE A 30 -25.886 14.362 19.205 1.00 24.54 H new ATOM 0 HD2 PHE A 30 -24.678 12.598 15.522 1.00 64.34 H new ATOM 0 HE1 PHE A 30 -23.539 14.848 19.745 1.00 1.22 H new ATOM 0 HE2 PHE A 30 -22.330 13.082 16.057 1.00 13.42 H new ATOM 0 HZ PHE A 30 -21.756 14.212 18.169 1.00 50.52 H new ATOM 489 N THR A 31 -25.779 11.264 19.403 1.00 11.11 N ATOM 490 CA THR A 31 -25.096 11.182 20.688 1.00 33.30 C ATOM 491 C THR A 31 -23.631 11.581 20.559 1.00 61.24 C ATOM 492 O THR A 31 -22.931 11.125 19.654 1.00 20.22 O ATOM 493 CB THR A 31 -25.180 9.761 21.278 1.00 5.33 C ATOM 494 OG1 THR A 31 -26.535 9.451 21.619 1.00 53.10 O ATOM 495 CG2 THR A 31 -24.300 9.636 22.513 1.00 64.01 C ATOM 0 H THR A 31 -25.359 10.698 18.665 1.00 11.11 H new ATOM 0 HA THR A 31 -25.600 11.877 21.359 1.00 33.30 H new ATOM 0 HB THR A 31 -24.826 9.057 20.525 1.00 5.33 H new ATOM 0 HG1 THR A 31 -26.580 8.546 21.992 1.00 53.10 H new ATOM 0 HG21 THR A 31 -24.375 8.625 22.912 1.00 64.01 H new ATOM 0 HG22 THR A 31 -23.264 9.844 22.244 1.00 64.01 H new ATOM 0 HG23 THR A 31 -24.629 10.350 23.268 1.00 64.01 H new ATOM 503 N ASP A 32 -23.172 12.434 21.468 1.00 75.20 N ATOM 504 CA ASP A 32 -21.788 12.893 21.456 1.00 14.24 C ATOM 505 C ASP A 32 -20.944 12.099 22.448 1.00 62.44 C ATOM 506 O ASP A 32 -21.157 12.171 23.659 1.00 63.33 O ATOM 507 CB ASP A 32 -21.721 14.384 21.790 1.00 2.30 C ATOM 508 CG ASP A 32 -20.906 15.167 20.779 1.00 13.41 C ATOM 509 OD1 ASP A 32 -19.707 14.861 20.619 1.00 24.22 O ATOM 510 OD2 ASP A 32 -21.469 16.087 20.149 1.00 45.44 O ATOM 0 H ASP A 32 -23.738 12.822 22.223 1.00 75.20 H new ATOM 0 HA ASP A 32 -21.386 12.734 20.455 1.00 14.24 H new ATOM 0 HB2 ASP A 32 -22.732 14.790 21.831 1.00 2.30 H new ATOM 0 HB3 ASP A 32 -21.286 14.512 22.781 1.00 2.30 H new ATOM 515 N LEU A 33 -19.986 11.340 21.926 1.00 41.30 N ATOM 516 CA LEU A 33 -19.109 10.531 22.765 1.00 71.42 C ATOM 517 C LEU A 33 -17.649 10.928 22.570 1.00 74.04 C ATOM 518 O LEU A 33 -16.789 10.593 23.384 1.00 65.52 O ATOM 519 CB LEU A 33 -19.293 9.046 22.445 1.00 44.12 C ATOM 520 CG LEU A 33 -18.208 8.408 21.576 1.00 32.31 C ATOM 521 CD1 LEU A 33 -18.478 6.922 21.391 1.00 1.53 C ATOM 522 CD2 LEU A 33 -18.124 9.108 20.228 1.00 40.12 C ATOM 0 H LEU A 33 -19.797 11.268 20.926 1.00 41.30 H new ATOM 0 HA LEU A 33 -19.378 10.709 23.806 1.00 71.42 H new ATOM 0 HB2 LEU A 33 -19.348 8.496 23.385 1.00 44.12 H new ATOM 0 HB3 LEU A 33 -20.253 8.919 21.945 1.00 44.12 H new ATOM 0 HG LEU A 33 -17.250 8.522 22.083 1.00 32.31 H new ATOM 0 HD11 LEU A 33 -17.696 6.485 20.770 1.00 1.53 H new ATOM 0 HD12 LEU A 33 -18.487 6.430 22.364 1.00 1.53 H new ATOM 0 HD13 LEU A 33 -19.445 6.785 20.906 1.00 1.53 H new ATOM 0 HD21 LEU A 33 -17.347 8.641 19.623 1.00 40.12 H new ATOM 0 HD22 LEU A 33 -19.082 9.025 19.715 1.00 40.12 H new ATOM 0 HD23 LEU A 33 -17.883 10.160 20.379 1.00 40.12 H new ATOM 534 N THR A 34 -17.377 11.647 21.485 1.00 11.11 N ATOM 535 CA THR A 34 -16.022 12.092 21.183 1.00 33.50 C ATOM 536 C THR A 34 -15.376 12.750 22.397 1.00 71.52 C ATOM 537 O THR A 34 -16.064 13.181 23.322 1.00 11.31 O ATOM 538 CB THR A 34 -16.006 13.085 20.006 1.00 72.54 C ATOM 539 OG1 THR A 34 -17.059 12.772 19.087 1.00 15.41 O ATOM 540 CG2 THR A 34 -14.668 13.045 19.283 1.00 52.40 C ATOM 0 H THR A 34 -18.077 11.933 20.801 1.00 11.11 H new ATOM 0 HA THR A 34 -15.452 11.205 20.908 1.00 33.50 H new ATOM 0 HB THR A 34 -16.157 14.089 20.404 1.00 72.54 H new ATOM 0 HG1 THR A 34 -16.907 11.882 18.706 1.00 15.41 H new ATOM 0 HG21 THR A 34 -14.680 13.754 18.456 1.00 52.40 H new ATOM 0 HG22 THR A 34 -13.871 13.311 19.977 1.00 52.40 H new ATOM 0 HG23 THR A 34 -14.493 12.041 18.897 1.00 52.40 H new ATOM 727 N GLN A 45 -11.407 11.297 17.710 1.00 42.45 N ATOM 728 CA GLN A 45 -11.217 10.510 16.497 1.00 23.23 C ATOM 729 C GLN A 45 -12.378 10.711 15.529 1.00 10.45 C ATOM 730 O GLN A 45 -12.461 10.045 14.498 1.00 73.34 O ATOM 731 CB GLN A 45 -11.078 9.026 16.844 1.00 2.50 C ATOM 732 CG GLN A 45 -11.061 8.116 15.627 1.00 43.13 C ATOM 733 CD GLN A 45 -10.532 6.730 15.942 1.00 55.54 C ATOM 734 OE1 GLN A 45 -9.345 6.553 16.213 1.00 4.21 O ATOM 735 NE2 GLN A 45 -11.415 5.738 15.907 1.00 5.52 N ATOM 0 HA GLN A 45 -10.302 10.851 16.013 1.00 23.23 H new ATOM 0 HB2 GLN A 45 -10.159 8.878 17.411 1.00 2.50 H new ATOM 0 HB3 GLN A 45 -11.903 8.734 17.494 1.00 2.50 H new ATOM 0 HG2 GLN A 45 -12.071 8.033 15.226 1.00 43.13 H new ATOM 0 HG3 GLN A 45 -10.446 8.568 14.849 1.00 43.13 H new ATOM 0 HE21 GLN A 45 -12.390 5.931 15.677 1.00 5.52 H new ATOM 0 HE22 GLN A 45 -11.118 4.783 16.110 1.00 5.52 H new ATOM 744 N ILE A 46 -13.272 11.634 15.870 1.00 62.24 N ATOM 745 CA ILE A 46 -14.428 11.923 15.030 1.00 3.01 C ATOM 746 C ILE A 46 -15.568 10.950 15.310 1.00 1.03 C ATOM 747 O ILE A 46 -16.740 11.286 15.138 1.00 31.40 O ATOM 748 CB ILE A 46 -14.068 11.857 13.534 1.00 4.11 C ATOM 749 CG1 ILE A 46 -14.659 13.057 12.791 1.00 34.34 C ATOM 750 CG2 ILE A 46 -14.564 10.554 12.927 1.00 72.43 C ATOM 751 CD1 ILE A 46 -13.630 14.094 12.402 1.00 43.05 C ATOM 0 H ILE A 46 -13.218 12.194 16.721 1.00 62.24 H new ATOM 0 HA ILE A 46 -14.749 12.936 15.274 1.00 3.01 H new ATOM 0 HB ILE A 46 -12.983 11.891 13.435 1.00 4.11 H new ATOM 0 HG12 ILE A 46 -15.165 12.704 11.892 1.00 34.34 H new ATOM 0 HG13 ILE A 46 -15.416 13.526 13.420 1.00 34.34 H new ATOM 0 HG21 ILE A 46 -14.302 10.522 11.869 1.00 72.43 H new ATOM 0 HG22 ILE A 46 -14.099 9.713 13.441 1.00 72.43 H new ATOM 0 HG23 ILE A 46 -15.647 10.492 13.035 1.00 72.43 H new ATOM 0 HD11 ILE A 46 -14.121 14.915 11.879 1.00 43.05 H new ATOM 0 HD12 ILE A 46 -13.141 14.475 13.298 1.00 43.05 H new ATOM 0 HD13 ILE A 46 -12.886 13.640 11.747 1.00 43.05 H new ATOM 763 N ILE A 47 -15.216 9.745 15.745 1.00 73.53 N ATOM 764 CA ILE A 47 -16.210 8.724 16.052 1.00 74.21 C ATOM 765 C ILE A 47 -17.384 9.315 16.825 1.00 32.24 C ATOM 766 O ILE A 47 -17.220 10.259 17.599 1.00 61.33 O ATOM 767 CB ILE A 47 -15.599 7.571 16.870 1.00 14.02 C ATOM 768 CG1 ILE A 47 -15.462 7.976 18.339 1.00 11.13 C ATOM 769 CG2 ILE A 47 -14.248 7.173 16.297 1.00 62.45 C ATOM 770 CD1 ILE A 47 -14.343 8.961 18.592 1.00 3.53 C ATOM 0 H ILE A 47 -14.250 9.452 15.893 1.00 73.53 H new ATOM 0 HA ILE A 47 -16.566 8.333 15.099 1.00 74.21 H new ATOM 0 HB ILE A 47 -16.265 6.710 16.810 1.00 14.02 H new ATOM 0 HG12 ILE A 47 -16.402 8.412 18.676 1.00 11.13 H new ATOM 0 HG13 ILE A 47 -15.291 7.082 18.939 1.00 11.13 H new ATOM 0 HG21 ILE A 47 -13.829 6.357 16.886 1.00 62.45 H new ATOM 0 HG22 ILE A 47 -14.372 6.848 15.264 1.00 62.45 H new ATOM 0 HG23 ILE A 47 -13.573 8.028 16.330 1.00 62.45 H new ATOM 0 HD11 ILE A 47 -14.305 9.203 19.654 1.00 3.53 H new ATOM 0 HD12 ILE A 47 -13.394 8.520 18.286 1.00 3.53 H new ATOM 0 HD13 ILE A 47 -14.522 9.871 18.019 1.00 3.53 H new ATOM 782 N PHE A 48 -18.569 8.752 16.613 1.00 52.01 N ATOM 783 CA PHE A 48 -19.772 9.222 17.291 1.00 44.42 C ATOM 784 C PHE A 48 -20.829 8.123 17.349 1.00 45.43 C ATOM 785 O PHE A 48 -20.806 7.184 16.554 1.00 42.41 O ATOM 786 CB PHE A 48 -20.337 10.452 16.577 1.00 1.22 C ATOM 787 CG PHE A 48 -20.766 10.181 15.164 1.00 64.45 C ATOM 788 CD1 PHE A 48 -19.831 9.870 14.189 1.00 5.34 C ATOM 789 CD2 PHE A 48 -22.104 10.236 14.809 1.00 41.33 C ATOM 790 CE1 PHE A 48 -20.222 9.619 12.888 1.00 43.54 C ATOM 791 CE2 PHE A 48 -22.501 9.986 13.509 1.00 70.02 C ATOM 792 CZ PHE A 48 -21.559 9.678 12.547 1.00 43.52 C ATOM 0 H PHE A 48 -18.722 7.969 15.977 1.00 52.01 H new ATOM 0 HA PHE A 48 -19.501 9.495 18.311 1.00 44.42 H new ATOM 0 HB2 PHE A 48 -21.190 10.830 17.141 1.00 1.22 H new ATOM 0 HB3 PHE A 48 -19.583 11.239 16.575 1.00 1.22 H new ATOM 0 HD1 PHE A 48 -18.784 9.823 14.450 1.00 5.34 H new ATOM 0 HD2 PHE A 48 -22.845 10.477 15.557 1.00 41.33 H new ATOM 0 HE1 PHE A 48 -19.483 9.377 12.139 1.00 43.54 H new ATOM 0 HE2 PHE A 48 -23.547 10.031 13.245 1.00 70.02 H new ATOM 0 HZ PHE A 48 -21.867 9.484 11.530 1.00 43.52 H new ATOM 802 N GLU A 49 -21.753 8.249 18.296 1.00 62.20 N ATOM 803 CA GLU A 49 -22.817 7.265 18.459 1.00 52.54 C ATOM 804 C GLU A 49 -24.162 7.842 18.024 1.00 4.12 C ATOM 805 O GLU A 49 -24.381 9.052 18.093 1.00 34.24 O ATOM 806 CB GLU A 49 -22.895 6.802 19.915 1.00 73.23 C ATOM 807 CG GLU A 49 -21.544 6.453 20.516 1.00 71.23 C ATOM 808 CD GLU A 49 -21.663 5.797 21.878 1.00 52.51 C ATOM 809 OE1 GLU A 49 -22.698 6.004 22.546 1.00 21.23 O ATOM 810 OE2 GLU A 49 -20.723 5.079 22.276 1.00 44.13 O ATOM 0 H GLU A 49 -21.787 9.022 18.961 1.00 62.20 H new ATOM 0 HA GLU A 49 -22.586 6.409 17.825 1.00 52.54 H new ATOM 0 HB2 GLU A 49 -23.357 7.587 20.513 1.00 73.23 H new ATOM 0 HB3 GLU A 49 -23.546 5.930 19.976 1.00 73.23 H new ATOM 0 HG2 GLU A 49 -21.012 5.784 19.840 1.00 71.23 H new ATOM 0 HG3 GLU A 49 -20.945 7.359 20.605 1.00 71.23 H new ATOM 817 N ILE A 50 -25.057 6.968 17.576 1.00 5.12 N ATOM 818 CA ILE A 50 -26.379 7.390 17.131 1.00 21.31 C ATOM 819 C ILE A 50 -27.470 6.529 17.758 1.00 33.10 C ATOM 820 O ILE A 50 -27.345 5.306 17.837 1.00 45.31 O ATOM 821 CB ILE A 50 -26.505 7.322 15.598 1.00 42.14 C ATOM 822 CG1 ILE A 50 -25.677 8.432 14.947 1.00 62.14 C ATOM 823 CG2 ILE A 50 -27.964 7.429 15.181 1.00 71.42 C ATOM 824 CD1 ILE A 50 -26.147 9.825 15.302 1.00 34.34 C ATOM 0 H ILE A 50 -24.891 5.964 17.512 1.00 5.12 H new ATOM 0 HA ILE A 50 -26.505 8.424 17.452 1.00 21.31 H new ATOM 0 HB ILE A 50 -26.120 6.360 15.259 1.00 42.14 H new ATOM 0 HG12 ILE A 50 -24.635 8.321 15.248 1.00 62.14 H new ATOM 0 HG13 ILE A 50 -25.710 8.311 13.864 1.00 62.14 H new ATOM 0 HG21 ILE A 50 -28.036 7.379 14.095 1.00 71.42 H new ATOM 0 HG22 ILE A 50 -28.529 6.607 15.620 1.00 71.42 H new ATOM 0 HG23 ILE A 50 -28.373 8.377 15.529 1.00 71.42 H new ATOM 0 HD11 ILE A 50 -25.514 10.560 14.805 1.00 34.34 H new ATOM 0 HD12 ILE A 50 -27.179 9.955 14.976 1.00 34.34 H new ATOM 0 HD13 ILE A 50 -26.087 9.965 16.381 1.00 34.34 H new ATOM 836 N THR A 51 -28.544 7.175 18.202 1.00 31.11 N ATOM 837 CA THR A 51 -29.659 6.469 18.822 1.00 42.35 C ATOM 838 C THR A 51 -30.628 5.942 17.770 1.00 54.30 C ATOM 839 O THR A 51 -31.139 6.702 16.945 1.00 31.35 O ATOM 840 CB THR A 51 -30.425 7.379 19.800 1.00 32.13 C ATOM 841 OG1 THR A 51 -29.532 7.888 20.797 1.00 14.22 O ATOM 842 CG2 THR A 51 -31.560 6.619 20.470 1.00 73.35 C ATOM 0 H THR A 51 -28.665 8.186 18.144 1.00 31.11 H new ATOM 0 HA THR A 51 -29.235 5.630 19.374 1.00 42.35 H new ATOM 0 HB THR A 51 -30.848 8.209 19.234 1.00 32.13 H new ATOM 0 HG1 THR A 51 -30.026 8.467 21.414 1.00 14.22 H new ATOM 0 HG21 THR A 51 -32.087 7.282 21.156 1.00 73.35 H new ATOM 0 HG22 THR A 51 -32.254 6.257 19.711 1.00 73.35 H new ATOM 0 HG23 THR A 51 -31.154 5.772 21.023 1.00 73.35 H new ATOM 850 N LEU A 52 -30.879 4.638 17.804 1.00 51.20 N ATOM 851 CA LEU A 52 -31.789 4.009 16.853 1.00 15.14 C ATOM 852 C LEU A 52 -32.863 3.203 17.579 1.00 44.44 C ATOM 853 O LEU A 52 -32.693 2.828 18.739 1.00 61.34 O ATOM 854 CB LEU A 52 -31.013 3.102 15.898 1.00 60.44 C ATOM 855 CG LEU A 52 -30.194 3.809 14.817 1.00 21.23 C ATOM 856 CD1 LEU A 52 -29.635 2.801 13.825 1.00 32.54 C ATOM 857 CD2 LEU A 52 -31.042 4.850 14.102 1.00 45.44 C ATOM 0 H LEU A 52 -30.465 3.996 18.480 1.00 51.20 H new ATOM 0 HA LEU A 52 -32.277 4.797 16.279 1.00 15.14 H new ATOM 0 HB2 LEU A 52 -30.339 2.480 16.487 1.00 60.44 H new ATOM 0 HB3 LEU A 52 -31.721 2.432 15.410 1.00 60.44 H new ATOM 0 HG LEU A 52 -29.357 4.317 15.296 1.00 21.23 H new ATOM 0 HD11 LEU A 52 -29.055 3.323 13.064 1.00 32.54 H new ATOM 0 HD12 LEU A 52 -28.992 2.093 14.349 1.00 32.54 H new ATOM 0 HD13 LEU A 52 -30.456 2.263 13.351 1.00 32.54 H new ATOM 0 HD21 LEU A 52 -30.443 5.343 13.336 1.00 45.44 H new ATOM 0 HD22 LEU A 52 -31.899 4.363 13.636 1.00 45.44 H new ATOM 0 HD23 LEU A 52 -31.392 5.590 14.821 1.00 45.44 H new ATOM 869 N ARG A 53 -33.966 2.940 16.887 1.00 71.15 N ATOM 870 CA ARG A 53 -35.067 2.178 17.464 1.00 25.33 C ATOM 871 C ARG A 53 -36.204 2.018 16.460 1.00 62.05 C ATOM 872 O ARG A 53 -36.220 2.671 15.417 1.00 53.55 O ATOM 873 CB ARG A 53 -35.582 2.866 18.730 1.00 74.45 C ATOM 874 CG ARG A 53 -36.118 4.267 18.486 1.00 40.03 C ATOM 875 CD ARG A 53 -35.179 5.327 19.041 1.00 33.42 C ATOM 876 NE ARG A 53 -35.145 6.521 18.202 1.00 3.41 N ATOM 877 CZ ARG A 53 -36.123 7.419 18.161 1.00 50.02 C ATOM 878 NH1 ARG A 53 -37.207 7.258 18.907 1.00 2.14 N ATOM 879 NH2 ARG A 53 -36.018 8.481 17.372 1.00 71.33 N ATOM 0 H ARG A 53 -34.121 3.243 15.926 1.00 71.15 H new ATOM 0 HA ARG A 53 -34.694 1.187 17.723 1.00 25.33 H new ATOM 0 HB2 ARG A 53 -36.371 2.256 19.170 1.00 74.45 H new ATOM 0 HB3 ARG A 53 -34.774 2.917 19.460 1.00 74.45 H new ATOM 0 HG2 ARG A 53 -36.254 4.424 17.416 1.00 40.03 H new ATOM 0 HG3 ARG A 53 -37.099 4.369 18.951 1.00 40.03 H new ATOM 0 HD2 ARG A 53 -35.495 5.600 20.048 1.00 33.42 H new ATOM 0 HD3 ARG A 53 -34.174 4.913 19.124 1.00 33.42 H new ATOM 0 HE ARG A 53 -34.325 6.674 17.615 1.00 3.41 H new ATOM 0 HH11 ARG A 53 -37.292 6.443 19.514 1.00 2.14 H new ATOM 0 HH12 ARG A 53 -37.956 7.949 18.874 1.00 2.14 H new ATOM 0 HH21 ARG A 53 -35.186 8.608 16.796 1.00 71.33 H new ATOM 0 HH22 ARG A 53 -36.770 9.170 17.341 1.00 71.33 H new ATOM 893 N SER A 54 -37.152 1.144 16.781 1.00 14.32 N ATOM 894 CA SER A 54 -38.291 0.895 15.905 1.00 12.31 C ATOM 895 C SER A 54 -39.039 2.191 15.604 1.00 22.24 C ATOM 896 O SER A 54 -38.596 3.278 15.976 1.00 23.52 O ATOM 897 CB SER A 54 -39.242 -0.119 16.545 1.00 44.42 C ATOM 898 OG SER A 54 -39.540 0.236 17.884 1.00 4.11 O ATOM 0 H SER A 54 -37.154 0.596 17.641 1.00 14.32 H new ATOM 0 HA SER A 54 -37.914 0.487 14.967 1.00 12.31 H new ATOM 0 HB2 SER A 54 -40.164 -0.173 15.966 1.00 44.42 H new ATOM 0 HB3 SER A 54 -38.791 -1.111 16.520 1.00 44.42 H new ATOM 0 HG SER A 54 -38.714 0.485 18.348 1.00 4.11 H new ATOM 904 N VAL A 55 -40.176 2.067 14.928 1.00 74.20 N ATOM 905 CA VAL A 55 -40.988 3.227 14.577 1.00 25.53 C ATOM 906 C VAL A 55 -42.074 3.472 15.618 1.00 51.10 C ATOM 907 O VAL A 55 -42.513 4.605 15.817 1.00 43.20 O ATOM 908 CB VAL A 55 -41.645 3.054 13.195 1.00 12.12 C ATOM 909 CG1 VAL A 55 -40.594 3.083 12.096 1.00 31.11 C ATOM 910 CG2 VAL A 55 -42.446 1.762 13.144 1.00 15.04 C ATOM 0 H VAL A 55 -40.556 1.175 14.612 1.00 74.20 H new ATOM 0 HA VAL A 55 -40.318 4.086 14.547 1.00 25.53 H new ATOM 0 HB VAL A 55 -42.330 3.886 13.031 1.00 12.12 H new ATOM 0 HG11 VAL A 55 -41.077 2.959 11.127 1.00 31.11 H new ATOM 0 HG12 VAL A 55 -40.069 4.038 12.120 1.00 31.11 H new ATOM 0 HG13 VAL A 55 -39.882 2.273 12.252 1.00 31.11 H new ATOM 0 HG21 VAL A 55 -42.903 1.656 12.160 1.00 15.04 H new ATOM 0 HG22 VAL A 55 -41.784 0.916 13.330 1.00 15.04 H new ATOM 0 HG23 VAL A 55 -43.225 1.787 13.906 1.00 15.04 H new ATOM 920 N ASP A 56 -42.504 2.404 16.280 1.00 71.53 N ATOM 921 CA ASP A 56 -43.539 2.503 17.302 1.00 30.43 C ATOM 922 C ASP A 56 -43.029 1.985 18.644 1.00 71.15 C ATOM 923 O ASP A 56 -41.824 1.833 18.845 1.00 31.33 O ATOM 924 CB ASP A 56 -44.782 1.719 16.878 1.00 22.50 C ATOM 925 CG ASP A 56 -46.069 2.426 17.253 1.00 0.23 C ATOM 926 OD1 ASP A 56 -46.137 3.662 17.088 1.00 41.44 O ATOM 927 OD2 ASP A 56 -47.009 1.744 17.712 1.00 63.10 O ATOM 0 H ASP A 56 -42.152 1.459 16.127 1.00 71.53 H new ATOM 0 HA ASP A 56 -43.803 3.554 17.415 1.00 30.43 H new ATOM 0 HB2 ASP A 56 -44.758 1.562 15.800 1.00 22.50 H new ATOM 0 HB3 ASP A 56 -44.763 0.734 17.344 1.00 22.50 H new ATOM 932 N LYS A 57 -43.954 1.717 19.559 1.00 72.42 N ATOM 933 CA LYS A 57 -43.600 1.216 20.882 1.00 61.35 C ATOM 934 C LYS A 57 -44.203 -0.165 21.120 1.00 1.10 C ATOM 935 O LYS A 57 -43.834 -0.857 22.068 1.00 61.42 O ATOM 936 CB LYS A 57 -44.079 2.187 21.963 1.00 54.15 C ATOM 937 CG LYS A 57 -43.728 3.637 21.677 1.00 60.12 C ATOM 938 CD LYS A 57 -42.231 3.878 21.778 1.00 52.11 C ATOM 939 CE LYS A 57 -41.888 4.764 22.966 1.00 55.44 C ATOM 940 NZ LYS A 57 -41.845 6.204 22.589 1.00 52.41 N ATOM 0 H LYS A 57 -44.956 1.838 19.409 1.00 72.42 H new ATOM 0 HA LYS A 57 -42.514 1.133 20.933 1.00 61.35 H new ATOM 0 HB2 LYS A 57 -45.160 2.097 22.067 1.00 54.15 H new ATOM 0 HB3 LYS A 57 -43.642 1.898 22.919 1.00 54.15 H new ATOM 0 HG2 LYS A 57 -44.074 3.906 20.679 1.00 60.12 H new ATOM 0 HG3 LYS A 57 -44.250 4.285 22.381 1.00 60.12 H new ATOM 0 HD2 LYS A 57 -41.713 2.923 21.873 1.00 52.11 H new ATOM 0 HD3 LYS A 57 -41.874 4.344 20.860 1.00 52.11 H new ATOM 0 HE2 LYS A 57 -42.626 4.617 23.754 1.00 55.44 H new ATOM 0 HE3 LYS A 57 -40.922 4.466 23.374 1.00 55.44 H new ATOM 0 HZ1 LYS A 57 -41.608 6.775 23.425 1.00 52.41 H new ATOM 0 HZ2 LYS A 57 -41.123 6.349 21.855 1.00 52.41 H new ATOM 0 HZ3 LYS A 57 -42.774 6.495 22.223 1.00 52.41 H new ATOM 954 N GLU A 58 -45.131 -0.558 20.253 1.00 22.31 N ATOM 955 CA GLU A 58 -45.783 -1.857 20.371 1.00 54.03 C ATOM 956 C GLU A 58 -45.567 -2.691 19.111 1.00 3.22 C ATOM 957 O GLU A 58 -45.509 -2.173 17.996 1.00 73.04 O ATOM 958 CB GLU A 58 -47.282 -1.679 20.626 1.00 45.51 C ATOM 959 CG GLU A 58 -47.595 -0.908 21.897 1.00 2.13 C ATOM 960 CD GLU A 58 -49.078 -0.880 22.212 1.00 41.41 C ATOM 961 OE1 GLU A 58 -49.881 -0.712 21.271 1.00 15.01 O ATOM 962 OE2 GLU A 58 -49.435 -1.026 23.400 1.00 44.51 O ATOM 0 H GLU A 58 -45.448 0.004 19.463 1.00 22.31 H new ATOM 0 HA GLU A 58 -45.337 -2.383 21.215 1.00 54.03 H new ATOM 0 HB2 GLU A 58 -47.727 -1.160 19.777 1.00 45.51 H new ATOM 0 HB3 GLU A 58 -47.752 -2.661 20.682 1.00 45.51 H new ATOM 0 HG2 GLU A 58 -47.058 -1.358 22.732 1.00 2.13 H new ATOM 0 HG3 GLU A 58 -47.229 0.114 21.797 1.00 2.13 H new ATOM 969 N PRO A 59 -45.443 -4.014 19.292 1.00 24.12 N ATOM 970 CA PRO A 59 -45.509 -4.642 20.615 1.00 4.44 C ATOM 971 C PRO A 59 -44.293 -4.311 21.475 1.00 73.10 C ATOM 972 O PRO A 59 -44.265 -4.611 22.669 1.00 43.52 O ATOM 973 CB PRO A 59 -45.547 -6.138 20.297 1.00 61.34 C ATOM 974 CG PRO A 59 -44.887 -6.259 18.966 1.00 34.33 C ATOM 975 CD PRO A 59 -45.228 -4.999 18.219 1.00 23.42 C ATOM 0 HA PRO A 59 -46.367 -4.293 21.189 1.00 4.44 H new ATOM 0 HB2 PRO A 59 -45.019 -6.717 21.055 1.00 61.34 H new ATOM 0 HB3 PRO A 59 -46.571 -6.510 20.267 1.00 61.34 H new ATOM 0 HG2 PRO A 59 -43.808 -6.369 19.074 1.00 34.33 H new ATOM 0 HG3 PRO A 59 -45.245 -7.139 18.431 1.00 34.33 H new ATOM 0 HD2 PRO A 59 -44.421 -4.697 17.552 1.00 23.42 H new ATOM 0 HD3 PRO A 59 -46.119 -5.125 17.605 1.00 23.42 H new ATOM 983 N VAL A 60 -43.290 -3.691 20.861 1.00 75.33 N ATOM 984 CA VAL A 60 -42.073 -3.318 21.571 1.00 63.55 C ATOM 985 C VAL A 60 -41.494 -2.018 21.024 1.00 14.01 C ATOM 986 O VAL A 60 -42.036 -1.432 20.087 1.00 31.23 O ATOM 987 CB VAL A 60 -41.005 -4.424 21.472 1.00 43.14 C ATOM 988 CG1 VAL A 60 -41.547 -5.740 22.007 1.00 32.21 C ATOM 989 CG2 VAL A 60 -40.530 -4.578 20.035 1.00 61.53 C ATOM 0 H VAL A 60 -43.297 -3.437 19.873 1.00 75.33 H new ATOM 0 HA VAL A 60 -42.346 -3.179 22.617 1.00 63.55 H new ATOM 0 HB VAL A 60 -40.151 -4.136 22.084 1.00 43.14 H new ATOM 0 HG11 VAL A 60 -40.778 -6.509 21.929 1.00 32.21 H new ATOM 0 HG12 VAL A 60 -41.833 -5.618 23.052 1.00 32.21 H new ATOM 0 HG13 VAL A 60 -42.419 -6.038 21.425 1.00 32.21 H new ATOM 0 HG21 VAL A 60 -39.776 -5.363 19.983 1.00 61.53 H new ATOM 0 HG22 VAL A 60 -41.375 -4.843 19.399 1.00 61.53 H new ATOM 0 HG23 VAL A 60 -40.099 -3.638 19.692 1.00 61.53 H new ATOM 999 N GLU A 61 -40.391 -1.573 21.616 1.00 3.43 N ATOM 1000 CA GLU A 61 -39.739 -0.340 21.188 1.00 31.32 C ATOM 1001 C GLU A 61 -38.432 -0.640 20.461 1.00 63.52 C ATOM 1002 O GLU A 61 -37.904 0.204 19.737 1.00 25.32 O ATOM 1003 CB GLU A 61 -39.470 0.565 22.392 1.00 65.00 C ATOM 1004 CG GLU A 61 -38.400 1.614 22.137 1.00 13.12 C ATOM 1005 CD GLU A 61 -38.497 2.789 23.091 1.00 50.11 C ATOM 1006 OE1 GLU A 61 -38.913 2.581 24.250 1.00 62.13 O ATOM 1007 OE2 GLU A 61 -38.156 3.917 22.678 1.00 53.45 O ATOM 0 H GLU A 61 -39.930 -2.047 22.393 1.00 3.43 H new ATOM 0 HA GLU A 61 -40.408 0.174 20.498 1.00 31.32 H new ATOM 0 HB2 GLU A 61 -40.397 1.064 22.675 1.00 65.00 H new ATOM 0 HB3 GLU A 61 -39.169 -0.051 23.239 1.00 65.00 H new ATOM 0 HG2 GLU A 61 -37.416 1.155 22.231 1.00 13.12 H new ATOM 0 HG3 GLU A 61 -38.487 1.975 21.112 1.00 13.12 H new ATOM 1014 N SER A 62 -37.915 -1.849 20.659 1.00 1.12 N ATOM 1015 CA SER A 62 -36.667 -2.260 20.026 1.00 31.14 C ATOM 1016 C SER A 62 -35.712 -1.078 19.889 1.00 14.00 C ATOM 1017 O SER A 62 -35.563 -0.509 18.808 1.00 61.02 O ATOM 1018 CB SER A 62 -36.945 -2.868 18.650 1.00 21.44 C ATOM 1019 OG SER A 62 -35.985 -3.860 18.328 1.00 33.11 O ATOM 0 H SER A 62 -38.341 -2.561 21.253 1.00 1.12 H new ATOM 0 HA SER A 62 -36.197 -3.012 20.660 1.00 31.14 H new ATOM 0 HB2 SER A 62 -37.943 -3.306 18.637 1.00 21.44 H new ATOM 0 HB3 SER A 62 -36.931 -2.084 17.893 1.00 21.44 H new ATOM 0 HG SER A 62 -36.232 -4.706 18.757 1.00 33.11 H new ATOM 1025 N SER A 63 -35.069 -0.714 20.993 1.00 25.14 N ATOM 1026 CA SER A 63 -34.131 0.403 20.999 1.00 63.43 C ATOM 1027 C SER A 63 -32.690 -0.098 20.993 1.00 24.35 C ATOM 1028 O SER A 63 -32.300 -0.909 21.835 1.00 43.42 O ATOM 1029 CB SER A 63 -34.369 1.291 22.221 1.00 34.23 C ATOM 1030 OG SER A 63 -33.205 1.377 23.024 1.00 1.30 O ATOM 0 H SER A 63 -35.180 -1.176 21.896 1.00 25.14 H new ATOM 0 HA SER A 63 -34.298 0.989 20.095 1.00 63.43 H new ATOM 0 HB2 SER A 63 -34.666 2.289 21.897 1.00 34.23 H new ATOM 0 HB3 SER A 63 -35.193 0.889 22.811 1.00 34.23 H new ATOM 0 HG SER A 63 -33.383 1.951 23.798 1.00 1.30 H new ATOM 1036 N ILE A 64 -31.904 0.390 20.040 1.00 62.23 N ATOM 1037 CA ILE A 64 -30.506 -0.007 19.925 1.00 41.21 C ATOM 1038 C ILE A 64 -29.625 1.184 19.562 1.00 62.45 C ATOM 1039 O ILE A 64 -30.026 2.055 18.789 1.00 22.01 O ATOM 1040 CB ILE A 64 -30.319 -1.111 18.868 1.00 70.03 C ATOM 1041 CG1 ILE A 64 -31.376 -2.202 19.046 1.00 34.42 C ATOM 1042 CG2 ILE A 64 -28.920 -1.701 18.960 1.00 21.41 C ATOM 1043 CD1 ILE A 64 -31.382 -3.227 17.933 1.00 44.40 C ATOM 0 H ILE A 64 -32.211 1.061 19.336 1.00 62.23 H new ATOM 0 HA ILE A 64 -30.207 -0.394 20.899 1.00 41.21 H new ATOM 0 HB ILE A 64 -30.442 -0.671 17.879 1.00 70.03 H new ATOM 0 HG12 ILE A 64 -31.206 -2.710 19.995 1.00 34.42 H new ATOM 0 HG13 ILE A 64 -32.360 -1.737 19.105 1.00 34.42 H new ATOM 0 HG21 ILE A 64 -28.803 -2.480 18.207 1.00 21.41 H new ATOM 0 HG22 ILE A 64 -28.182 -0.917 18.789 1.00 21.41 H new ATOM 0 HG23 ILE A 64 -28.770 -2.130 19.951 1.00 21.41 H new ATOM 0 HD11 ILE A 64 -32.157 -3.969 18.126 1.00 44.40 H new ATOM 0 HD12 ILE A 64 -31.583 -2.732 16.983 1.00 44.40 H new ATOM 0 HD13 ILE A 64 -30.411 -3.720 17.887 1.00 44.40 H new ATOM 1055 N THR A 65 -28.420 1.214 20.122 1.00 1.25 N ATOM 1056 CA THR A 65 -27.481 2.297 19.858 1.00 63.24 C ATOM 1057 C THR A 65 -26.343 1.829 18.957 1.00 3.55 C ATOM 1058 O THR A 65 -25.586 0.925 19.314 1.00 13.24 O ATOM 1059 CB THR A 65 -26.889 2.859 21.164 1.00 51.42 C ATOM 1060 OG1 THR A 65 -27.938 3.358 22.002 1.00 63.21 O ATOM 1061 CG2 THR A 65 -25.894 3.972 20.872 1.00 51.42 C ATOM 0 H THR A 65 -28.071 0.500 20.762 1.00 1.25 H new ATOM 0 HA THR A 65 -28.040 3.085 19.354 1.00 63.24 H new ATOM 0 HB THR A 65 -26.367 2.052 21.677 1.00 51.42 H new ATOM 0 HG1 THR A 65 -27.554 3.712 22.831 1.00 63.21 H new ATOM 0 HG21 THR A 65 -25.489 4.353 21.809 1.00 51.42 H new ATOM 0 HG22 THR A 65 -25.082 3.582 20.258 1.00 51.42 H new ATOM 0 HG23 THR A 65 -26.397 4.779 20.339 1.00 51.42 H new ATOM 1069 N LEU A 66 -26.226 2.451 17.789 1.00 24.22 N ATOM 1070 CA LEU A 66 -25.178 2.099 16.837 1.00 21.20 C ATOM 1071 C LEU A 66 -24.019 3.087 16.913 1.00 43.43 C ATOM 1072 O LEU A 66 -24.169 4.263 16.579 1.00 11.34 O ATOM 1073 CB LEU A 66 -25.743 2.066 15.416 1.00 70.20 C ATOM 1074 CG LEU A 66 -25.949 0.678 14.808 1.00 52.13 C ATOM 1075 CD1 LEU A 66 -26.658 -0.237 15.794 1.00 55.12 C ATOM 1076 CD2 LEU A 66 -26.735 0.777 13.508 1.00 33.35 C ATOM 0 H LEU A 66 -26.843 3.201 17.478 1.00 24.22 H new ATOM 0 HA LEU A 66 -24.804 1.108 17.096 1.00 21.20 H new ATOM 0 HB2 LEU A 66 -26.700 2.587 15.415 1.00 70.20 H new ATOM 0 HB3 LEU A 66 -25.073 2.629 14.767 1.00 70.20 H new ATOM 0 HG LEU A 66 -24.971 0.250 14.586 1.00 52.13 H new ATOM 0 HD11 LEU A 66 -26.796 -1.220 15.344 1.00 55.12 H new ATOM 0 HD12 LEU A 66 -26.057 -0.333 16.698 1.00 55.12 H new ATOM 0 HD13 LEU A 66 -27.630 0.185 16.048 1.00 55.12 H new ATOM 0 HD21 LEU A 66 -26.872 -0.220 13.089 1.00 33.35 H new ATOM 0 HD22 LEU A 66 -27.709 1.225 13.705 1.00 33.35 H new ATOM 0 HD23 LEU A 66 -26.187 1.397 12.798 1.00 33.35 H new ATOM 1088 N HIS A 67 -22.861 2.602 17.351 1.00 15.12 N ATOM 1089 CA HIS A 67 -21.675 3.443 17.468 1.00 71.43 C ATOM 1090 C HIS A 67 -20.651 3.088 16.394 1.00 3.30 C ATOM 1091 O HIS A 67 -20.081 1.997 16.401 1.00 75.43 O ATOM 1092 CB HIS A 67 -21.051 3.290 18.855 1.00 4.20 C ATOM 1093 CG HIS A 67 -19.670 3.863 18.957 1.00 73.43 C ATOM 1094 ND1 HIS A 67 -19.322 5.087 18.427 1.00 54.13 N ATOM 1095 CD2 HIS A 67 -18.548 3.371 19.533 1.00 15.42 C ATOM 1096 CE1 HIS A 67 -18.046 5.324 18.671 1.00 20.33 C ATOM 1097 NE2 HIS A 67 -17.553 4.298 19.342 1.00 52.00 N ATOM 0 H HIS A 67 -22.719 1.631 17.631 1.00 15.12 H new ATOM 0 HA HIS A 67 -21.979 4.480 17.327 1.00 71.43 H new ATOM 0 HB2 HIS A 67 -21.693 3.777 19.589 1.00 4.20 H new ATOM 0 HB3 HIS A 67 -21.017 2.232 19.114 1.00 4.20 H new ATOM 0 HD1 HIS A 67 -19.952 5.712 17.925 1.00 54.13 H new ATOM 0 HD2 HIS A 67 -18.453 2.426 20.047 1.00 15.42 H new ATOM 0 HE1 HIS A 67 -17.499 6.206 18.373 1.00 20.33 H new ATOM 1105 N PHE A 68 -20.421 4.018 15.472 1.00 33.43 N ATOM 1106 CA PHE A 68 -19.467 3.803 14.391 1.00 61.31 C ATOM 1107 C PHE A 68 -18.171 4.566 14.650 1.00 70.25 C ATOM 1108 O PHE A 68 -18.191 5.702 15.121 1.00 11.24 O ATOM 1109 CB PHE A 68 -20.071 4.239 13.055 1.00 50.34 C ATOM 1110 CG PHE A 68 -21.525 4.604 13.145 1.00 51.50 C ATOM 1111 CD1 PHE A 68 -21.913 5.843 13.631 1.00 32.52 C ATOM 1112 CD2 PHE A 68 -22.504 3.709 12.744 1.00 0.42 C ATOM 1113 CE1 PHE A 68 -23.250 6.182 13.715 1.00 35.13 C ATOM 1114 CE2 PHE A 68 -23.843 4.043 12.826 1.00 44.44 C ATOM 1115 CZ PHE A 68 -24.216 5.281 13.313 1.00 74.41 C ATOM 0 H PHE A 68 -20.883 4.927 15.452 1.00 33.43 H new ATOM 0 HA PHE A 68 -19.239 2.738 14.348 1.00 61.31 H new ATOM 0 HB2 PHE A 68 -19.513 5.095 12.675 1.00 50.34 H new ATOM 0 HB3 PHE A 68 -19.951 3.433 12.331 1.00 50.34 H new ATOM 0 HD1 PHE A 68 -21.162 6.551 13.948 1.00 32.52 H new ATOM 0 HD2 PHE A 68 -22.218 2.740 12.363 1.00 0.42 H new ATOM 0 HE1 PHE A 68 -23.539 7.151 14.095 1.00 35.13 H new ATOM 0 HE2 PHE A 68 -24.597 3.337 12.510 1.00 44.44 H new ATOM 0 HZ PHE A 68 -25.262 5.544 13.379 1.00 74.41 H new ATOM 1125 N ALA A 69 -17.046 3.932 14.337 1.00 24.33 N ATOM 1126 CA ALA A 69 -15.740 4.550 14.534 1.00 15.21 C ATOM 1127 C ALA A 69 -14.988 4.677 13.214 1.00 73.03 C ATOM 1128 O ALA A 69 -14.706 3.679 12.551 1.00 1.03 O ATOM 1129 CB ALA A 69 -14.922 3.748 15.535 1.00 1.31 C ATOM 0 H ALA A 69 -17.012 2.991 13.946 1.00 24.33 H new ATOM 0 HA ALA A 69 -15.897 5.553 14.931 1.00 15.21 H new ATOM 0 HB1 ALA A 69 -13.950 4.221 15.672 1.00 1.31 H new ATOM 0 HB2 ALA A 69 -15.447 3.714 16.490 1.00 1.31 H new ATOM 0 HB3 ALA A 69 -14.783 2.734 15.161 1.00 1.31 H new ATOM 1135 N MET A 70 -14.668 5.910 12.837 1.00 45.42 N ATOM 1136 CA MET A 70 -13.947 6.167 11.595 1.00 74.41 C ATOM 1137 C MET A 70 -12.443 6.015 11.797 1.00 31.14 C ATOM 1138 O MET A 70 -11.749 6.979 12.124 1.00 74.23 O ATOM 1139 CB MET A 70 -14.265 7.571 11.076 1.00 20.55 C ATOM 1140 CG MET A 70 -15.753 7.878 11.026 1.00 22.34 C ATOM 1141 SD MET A 70 -16.439 7.720 9.367 1.00 73.54 S ATOM 1142 CE MET A 70 -18.164 8.092 9.676 1.00 5.54 C ATOM 0 H MET A 70 -14.896 6.747 13.373 1.00 45.42 H new ATOM 0 HA MET A 70 -14.272 5.433 10.858 1.00 74.41 H new ATOM 0 HB2 MET A 70 -13.772 8.305 11.713 1.00 20.55 H new ATOM 0 HB3 MET A 70 -13.845 7.684 10.076 1.00 20.55 H new ATOM 0 HG2 MET A 70 -16.282 7.204 11.699 1.00 22.34 H new ATOM 0 HG3 MET A 70 -15.923 8.891 11.391 1.00 22.34 H new ATOM 0 HE1 MET A 70 -18.789 7.513 8.995 1.00 5.54 H new ATOM 0 HE2 MET A 70 -18.413 7.834 10.705 1.00 5.54 H new ATOM 0 HE3 MET A 70 -18.341 9.155 9.516 1.00 5.54 H new ATOM 1152 N THR A 71 -11.944 4.798 11.602 1.00 2.34 N ATOM 1153 CA THR A 71 -10.522 4.520 11.765 1.00 14.41 C ATOM 1154 C THR A 71 -9.672 5.596 11.099 1.00 71.13 C ATOM 1155 O THR A 71 -10.120 6.306 10.198 1.00 62.53 O ATOM 1156 CB THR A 71 -10.147 3.147 11.176 1.00 14.42 C ATOM 1157 OG1 THR A 71 -11.027 2.821 10.095 1.00 55.33 O ATOM 1158 CG2 THR A 71 -10.221 2.063 12.241 1.00 41.50 C ATOM 0 H THR A 71 -12.504 3.989 11.331 1.00 2.34 H new ATOM 0 HA THR A 71 -10.322 4.514 12.836 1.00 14.41 H new ATOM 0 HB THR A 71 -9.123 3.202 10.806 1.00 14.42 H new ATOM 0 HG1 THR A 71 -10.503 2.494 9.334 1.00 55.33 H new ATOM 0 HG21 THR A 71 -9.952 1.102 11.802 1.00 41.50 H new ATOM 0 HG22 THR A 71 -9.529 2.299 13.049 1.00 41.50 H new ATOM 0 HG23 THR A 71 -11.235 2.010 12.636 1.00 41.50 H new ATOM 1166 N PRO A 72 -8.415 5.721 11.550 1.00 51.34 N ATOM 1167 CA PRO A 72 -7.475 6.708 11.009 1.00 30.14 C ATOM 1168 C PRO A 72 -7.036 6.373 9.588 1.00 20.31 C ATOM 1169 O PRO A 72 -6.207 7.070 9.004 1.00 53.01 O ATOM 1170 CB PRO A 72 -6.286 6.627 11.970 1.00 44.45 C ATOM 1171 CG PRO A 72 -6.353 5.253 12.542 1.00 41.45 C ATOM 1172 CD PRO A 72 -7.814 4.909 12.621 1.00 15.11 C ATOM 0 HA PRO A 72 -7.920 7.701 10.941 1.00 30.14 H new ATOM 0 HB2 PRO A 72 -5.343 6.793 11.448 1.00 44.45 H new ATOM 0 HB3 PRO A 72 -6.356 7.384 12.751 1.00 44.45 H new ATOM 0 HG2 PRO A 72 -5.818 4.542 11.913 1.00 41.45 H new ATOM 0 HG3 PRO A 72 -5.890 5.218 13.528 1.00 41.45 H new ATOM 0 HD2 PRO A 72 -7.985 3.844 12.462 1.00 15.11 H new ATOM 0 HD3 PRO A 72 -8.233 5.157 13.596 1.00 15.11 H new ATOM 1180 N MET A 73 -7.597 5.301 9.037 1.00 13.25 N ATOM 1181 CA MET A 73 -7.264 4.875 7.683 1.00 10.22 C ATOM 1182 C MET A 73 -8.491 4.929 6.779 1.00 73.11 C ATOM 1183 O MET A 73 -8.372 5.085 5.563 1.00 13.34 O ATOM 1184 CB MET A 73 -6.689 3.458 7.698 1.00 30.44 C ATOM 1185 CG MET A 73 -5.370 3.345 8.446 1.00 71.23 C ATOM 1186 SD MET A 73 -3.996 2.898 7.367 1.00 74.03 S ATOM 1187 CE MET A 73 -4.092 4.200 6.140 1.00 30.22 C ATOM 0 H MET A 73 -8.284 4.712 9.508 1.00 13.25 H new ATOM 0 HA MET A 73 -6.513 5.559 7.288 1.00 10.22 H new ATOM 0 HB2 MET A 73 -7.415 2.785 8.154 1.00 30.44 H new ATOM 0 HB3 MET A 73 -6.545 3.122 6.671 1.00 30.44 H new ATOM 0 HG2 MET A 73 -5.150 4.295 8.933 1.00 71.23 H new ATOM 0 HG3 MET A 73 -5.466 2.598 9.234 1.00 71.23 H new ATOM 0 HE1 MET A 73 -3.095 4.601 5.957 1.00 30.22 H new ATOM 0 HE2 MET A 73 -4.497 3.796 5.212 1.00 30.22 H new ATOM 0 HE3 MET A 73 -4.742 4.996 6.504 1.00 30.22 H new ATOM 1197 N TYR A 74 -9.669 4.798 7.379 1.00 0.12 N ATOM 1198 CA TYR A 74 -10.918 4.829 6.627 1.00 2.03 C ATOM 1199 C TYR A 74 -10.937 6.001 5.651 1.00 62.24 C ATOM 1200 O TYR A 74 -10.351 7.056 5.895 1.00 62.31 O ATOM 1201 CB TYR A 74 -12.110 4.926 7.581 1.00 4.42 C ATOM 1202 CG TYR A 74 -13.315 5.611 6.977 1.00 63.13 C ATOM 1203 CD1 TYR A 74 -13.272 6.955 6.628 1.00 12.44 C ATOM 1204 CD2 TYR A 74 -14.496 4.914 6.755 1.00 62.23 C ATOM 1205 CE1 TYR A 74 -14.371 7.585 6.076 1.00 1.45 C ATOM 1206 CE2 TYR A 74 -15.599 5.535 6.202 1.00 42.21 C ATOM 1207 CZ TYR A 74 -15.532 6.871 5.865 1.00 64.13 C ATOM 1208 OH TYR A 74 -16.629 7.494 5.315 1.00 24.22 O ATOM 0 H TYR A 74 -9.785 4.669 8.384 1.00 0.12 H new ATOM 0 HA TYR A 74 -10.992 3.903 6.057 1.00 2.03 H new ATOM 0 HB2 TYR A 74 -12.394 3.922 7.898 1.00 4.42 H new ATOM 0 HB3 TYR A 74 -11.805 5.468 8.476 1.00 4.42 H new ATOM 0 HD1 TYR A 74 -12.364 7.517 6.791 1.00 12.44 H new ATOM 0 HD2 TYR A 74 -14.553 3.868 7.019 1.00 62.23 H new ATOM 0 HE1 TYR A 74 -14.321 8.631 5.811 1.00 1.45 H new ATOM 0 HE2 TYR A 74 -16.509 4.978 6.034 1.00 42.21 H new ATOM 0 HH TYR A 74 -16.644 8.434 5.591 1.00 24.22 H new ATOM 1218 N PRO A 75 -11.627 5.813 4.516 1.00 34.02 N ATOM 1219 CA PRO A 75 -12.328 4.561 4.214 1.00 14.53 C ATOM 1220 C PRO A 75 -11.367 3.411 3.935 1.00 50.32 C ATOM 1221 O PRO A 75 -11.768 2.247 3.907 1.00 4.42 O ATOM 1222 CB PRO A 75 -13.135 4.901 2.959 1.00 74.14 C ATOM 1223 CG PRO A 75 -12.385 6.016 2.316 1.00 13.22 C ATOM 1224 CD PRO A 75 -11.777 6.808 3.441 1.00 63.33 C ATOM 0 HA PRO A 75 -12.938 4.223 5.051 1.00 14.53 H new ATOM 0 HB2 PRO A 75 -13.213 4.041 2.294 1.00 74.14 H new ATOM 0 HB3 PRO A 75 -14.152 5.202 3.212 1.00 74.14 H new ATOM 0 HG2 PRO A 75 -11.614 5.633 1.647 1.00 13.22 H new ATOM 0 HG3 PRO A 75 -13.049 6.638 1.715 1.00 13.22 H new ATOM 0 HD2 PRO A 75 -10.817 7.239 3.156 1.00 63.33 H new ATOM 0 HD3 PRO A 75 -12.420 7.634 3.745 1.00 63.33 H new ATOM 1232 N TYR A 76 -10.098 3.744 3.729 1.00 42.44 N ATOM 1233 CA TYR A 76 -9.079 2.739 3.449 1.00 35.13 C ATOM 1234 C TYR A 76 -9.359 1.452 4.219 1.00 31.22 C ATOM 1235 O TYR A 76 -9.296 0.355 3.663 1.00 23.44 O ATOM 1236 CB TYR A 76 -7.693 3.273 3.813 1.00 62.44 C ATOM 1237 CG TYR A 76 -6.569 2.610 3.047 1.00 15.41 C ATOM 1238 CD1 TYR A 76 -6.325 2.931 1.717 1.00 15.12 C ATOM 1239 CD2 TYR A 76 -5.753 1.664 3.653 1.00 61.41 C ATOM 1240 CE1 TYR A 76 -5.301 2.328 1.013 1.00 2.35 C ATOM 1241 CE2 TYR A 76 -4.725 1.057 2.957 1.00 31.14 C ATOM 1242 CZ TYR A 76 -4.503 1.392 1.638 1.00 12.31 C ATOM 1243 OH TYR A 76 -3.481 0.789 0.941 1.00 12.14 O ATOM 0 H TYR A 76 -9.750 4.703 3.751 1.00 42.44 H new ATOM 0 HA TYR A 76 -9.106 2.517 2.382 1.00 35.13 H new ATOM 0 HB2 TYR A 76 -7.666 4.346 3.626 1.00 62.44 H new ATOM 0 HB3 TYR A 76 -7.527 3.131 4.881 1.00 62.44 H new ATOM 0 HD1 TYR A 76 -6.947 3.665 1.225 1.00 15.12 H new ATOM 0 HD2 TYR A 76 -5.925 1.398 4.686 1.00 61.41 H new ATOM 0 HE1 TYR A 76 -5.126 2.588 -0.021 1.00 2.35 H new ATOM 0 HE2 TYR A 76 -4.099 0.324 3.444 1.00 31.14 H new ATOM 0 HH TYR A 76 -3.015 0.156 1.526 1.00 12.14 H new ATOM 1253 N THR A 77 -9.670 1.594 5.504 1.00 1.00 N ATOM 1254 CA THR A 77 -9.959 0.445 6.352 1.00 31.31 C ATOM 1255 C THR A 77 -11.428 0.417 6.759 1.00 1.41 C ATOM 1256 O THR A 77 -12.194 1.316 6.413 1.00 75.45 O ATOM 1257 CB THR A 77 -9.087 0.449 7.621 1.00 5.45 C ATOM 1258 OG1 THR A 77 -9.409 1.584 8.433 1.00 21.04 O ATOM 1259 CG2 THR A 77 -7.609 0.480 7.262 1.00 3.21 C ATOM 0 H THR A 77 -9.728 2.494 5.980 1.00 1.00 H new ATOM 0 HA THR A 77 -9.730 -0.445 5.766 1.00 31.31 H new ATOM 0 HB THR A 77 -9.291 -0.466 8.178 1.00 5.45 H new ATOM 0 HG1 THR A 77 -8.972 1.496 9.306 1.00 21.04 H new ATOM 0 HG21 THR A 77 -7.013 0.482 8.175 1.00 3.21 H new ATOM 0 HG22 THR A 77 -7.360 -0.400 6.668 1.00 3.21 H new ATOM 0 HG23 THR A 77 -7.393 1.380 6.686 1.00 3.21 H new ATOM 1267 N ALA A 78 -11.814 -0.618 7.497 1.00 64.51 N ATOM 1268 CA ALA A 78 -13.191 -0.761 7.953 1.00 4.34 C ATOM 1269 C ALA A 78 -13.346 -0.273 9.390 1.00 62.40 C ATOM 1270 O ALA A 78 -12.536 -0.579 10.266 1.00 72.24 O ATOM 1271 CB ALA A 78 -13.639 -2.210 7.834 1.00 11.31 C ATOM 0 H ALA A 78 -11.192 -1.371 7.792 1.00 64.51 H new ATOM 0 HA ALA A 78 -13.825 -0.144 7.317 1.00 4.34 H new ATOM 0 HB1 ALA A 78 -14.669 -2.302 8.178 1.00 11.31 H new ATOM 0 HB2 ALA A 78 -13.575 -2.526 6.793 1.00 11.31 H new ATOM 0 HB3 ALA A 78 -12.995 -2.841 8.446 1.00 11.31 H new ATOM 1277 N PRO A 79 -14.410 0.504 9.640 1.00 21.23 N ATOM 1278 CA PRO A 79 -14.696 1.050 10.970 1.00 2.13 C ATOM 1279 C PRO A 79 -15.127 -0.027 11.959 1.00 33.51 C ATOM 1280 O PRO A 79 -14.986 -1.220 11.691 1.00 33.12 O ATOM 1281 CB PRO A 79 -15.844 2.029 10.712 1.00 4.52 C ATOM 1282 CG PRO A 79 -16.507 1.519 9.480 1.00 13.00 C ATOM 1283 CD PRO A 79 -15.416 0.909 8.644 1.00 32.34 C ATOM 0 HA PRO A 79 -13.816 1.511 11.419 1.00 2.13 H new ATOM 0 HB2 PRO A 79 -16.538 2.056 11.552 1.00 4.52 H new ATOM 0 HB3 PRO A 79 -15.474 3.045 10.571 1.00 4.52 H new ATOM 0 HG2 PRO A 79 -17.270 0.780 9.725 1.00 13.00 H new ATOM 0 HG3 PRO A 79 -17.005 2.326 8.943 1.00 13.00 H new ATOM 0 HD2 PRO A 79 -15.779 0.057 8.070 1.00 32.34 H new ATOM 0 HD3 PRO A 79 -15.009 1.625 7.930 1.00 32.34 H new ATOM 1291 N GLU A 80 -15.654 0.401 13.102 1.00 4.12 N ATOM 1292 CA GLU A 80 -16.105 -0.529 14.131 1.00 51.14 C ATOM 1293 C GLU A 80 -17.509 -0.171 14.609 1.00 33.20 C ATOM 1294 O GLU A 80 -17.774 0.968 14.994 1.00 43.34 O ATOM 1295 CB GLU A 80 -15.135 -0.526 15.314 1.00 41.31 C ATOM 1296 CG GLU A 80 -15.749 -1.037 16.606 1.00 15.41 C ATOM 1297 CD GLU A 80 -14.792 -1.899 17.406 1.00 15.12 C ATOM 1298 OE1 GLU A 80 -14.612 -3.080 17.043 1.00 0.22 O ATOM 1299 OE2 GLU A 80 -14.224 -1.392 18.396 1.00 42.42 O ATOM 0 H GLU A 80 -15.779 1.385 13.339 1.00 4.12 H new ATOM 0 HA GLU A 80 -16.131 -1.528 13.696 1.00 51.14 H new ATOM 0 HB2 GLU A 80 -14.270 -1.140 15.065 1.00 41.31 H new ATOM 0 HB3 GLU A 80 -14.770 0.489 15.471 1.00 41.31 H new ATOM 0 HG2 GLU A 80 -16.064 -0.189 17.215 1.00 15.41 H new ATOM 0 HG3 GLU A 80 -16.645 -1.613 16.375 1.00 15.41 H new ATOM 1306 N ILE A 81 -18.405 -1.152 14.581 1.00 30.25 N ATOM 1307 CA ILE A 81 -19.781 -0.942 15.013 1.00 54.55 C ATOM 1308 C ILE A 81 -20.136 -1.851 16.184 1.00 71.43 C ATOM 1309 O ILE A 81 -19.738 -3.015 16.220 1.00 22.15 O ATOM 1310 CB ILE A 81 -20.776 -1.192 13.863 1.00 3.43 C ATOM 1311 CG1 ILE A 81 -20.240 -0.599 12.558 1.00 20.23 C ATOM 1312 CG2 ILE A 81 -22.136 -0.599 14.201 1.00 23.23 C ATOM 1313 CD1 ILE A 81 -20.111 0.908 12.587 1.00 74.33 C ATOM 0 H ILE A 81 -18.202 -2.100 14.264 1.00 30.25 H new ATOM 0 HA ILE A 81 -19.857 0.098 15.329 1.00 54.55 H new ATOM 0 HB ILE A 81 -20.893 -2.268 13.731 1.00 3.43 H new ATOM 0 HG12 ILE A 81 -19.264 -1.035 12.344 1.00 20.23 H new ATOM 0 HG13 ILE A 81 -20.902 -0.883 11.740 1.00 20.23 H new ATOM 0 HG21 ILE A 81 -22.828 -0.784 13.379 1.00 23.23 H new ATOM 0 HG22 ILE A 81 -22.520 -1.063 15.110 1.00 23.23 H new ATOM 0 HG23 ILE A 81 -22.036 0.475 14.357 1.00 23.23 H new ATOM 0 HD11 ILE A 81 -19.726 1.259 11.630 1.00 74.33 H new ATOM 0 HD12 ILE A 81 -21.089 1.353 12.770 1.00 74.33 H new ATOM 0 HD13 ILE A 81 -19.425 1.199 13.383 1.00 74.33 H new ATOM 1325 N GLU A 82 -20.889 -1.313 17.138 1.00 41.32 N ATOM 1326 CA GLU A 82 -21.298 -2.077 18.310 1.00 31.31 C ATOM 1327 C GLU A 82 -22.687 -1.653 18.779 1.00 42.21 C ATOM 1328 O GLU A 82 -23.007 -0.464 18.810 1.00 33.44 O ATOM 1329 CB GLU A 82 -20.287 -1.895 19.444 1.00 50.20 C ATOM 1330 CG GLU A 82 -20.718 -0.876 20.486 1.00 71.23 C ATOM 1331 CD GLU A 82 -19.554 -0.347 21.301 1.00 51.45 C ATOM 1332 OE1 GLU A 82 -18.835 -1.167 21.910 1.00 54.44 O ATOM 1333 OE2 GLU A 82 -19.362 0.887 21.329 1.00 22.25 O ATOM 0 H GLU A 82 -21.228 -0.351 17.122 1.00 41.32 H new ATOM 0 HA GLU A 82 -21.334 -3.130 18.031 1.00 31.31 H new ATOM 0 HB2 GLU A 82 -20.125 -2.856 19.933 1.00 50.20 H new ATOM 0 HB3 GLU A 82 -19.331 -1.587 19.021 1.00 50.20 H new ATOM 0 HG2 GLU A 82 -21.217 -0.044 19.990 1.00 71.23 H new ATOM 0 HG3 GLU A 82 -21.447 -1.332 21.155 1.00 71.23 H new ATOM 1340 N PHE A 83 -23.507 -2.633 19.142 1.00 15.10 N ATOM 1341 CA PHE A 83 -24.863 -2.362 19.608 1.00 64.21 C ATOM 1342 C PHE A 83 -24.903 -2.251 21.129 1.00 23.12 C ATOM 1343 O PHE A 83 -24.240 -3.010 21.837 1.00 71.34 O ATOM 1344 CB PHE A 83 -25.815 -3.465 19.140 1.00 11.34 C ATOM 1345 CG PHE A 83 -25.594 -3.884 17.715 1.00 3.51 C ATOM 1346 CD1 PHE A 83 -26.203 -3.199 16.675 1.00 22.55 C ATOM 1347 CD2 PHE A 83 -24.777 -4.962 17.415 1.00 41.21 C ATOM 1348 CE1 PHE A 83 -26.001 -3.582 15.363 1.00 61.03 C ATOM 1349 CE2 PHE A 83 -24.571 -5.349 16.104 1.00 1.42 C ATOM 1350 CZ PHE A 83 -25.185 -4.659 15.077 1.00 44.21 C ATOM 0 H PHE A 83 -23.257 -3.622 19.123 1.00 15.10 H new ATOM 0 HA PHE A 83 -25.184 -1.411 19.184 1.00 64.21 H new ATOM 0 HB2 PHE A 83 -25.698 -4.334 19.788 1.00 11.34 H new ATOM 0 HB3 PHE A 83 -26.842 -3.119 19.253 1.00 11.34 H new ATOM 0 HD1 PHE A 83 -26.843 -2.356 16.893 1.00 22.55 H new ATOM 0 HD2 PHE A 83 -24.296 -5.506 18.214 1.00 41.21 H new ATOM 0 HE1 PHE A 83 -26.481 -3.040 14.562 1.00 61.03 H new ATOM 0 HE2 PHE A 83 -23.931 -6.190 15.883 1.00 1.42 H new ATOM 0 HZ PHE A 83 -25.027 -4.961 14.052 1.00 44.21 H new ATOM 1360 N LYS A 84 -25.685 -1.299 21.626 1.00 3.14 N ATOM 1361 CA LYS A 84 -25.814 -1.087 23.063 1.00 4.32 C ATOM 1362 C LYS A 84 -27.273 -1.173 23.497 1.00 14.40 C ATOM 1363 O LYS A 84 -28.175 -1.247 22.663 1.00 21.23 O ATOM 1364 CB LYS A 84 -25.234 0.275 23.452 1.00 11.24 C ATOM 1365 CG LYS A 84 -24.059 0.705 22.591 1.00 22.34 C ATOM 1366 CD LYS A 84 -22.888 -0.254 22.728 1.00 3.33 C ATOM 1367 CE LYS A 84 -22.617 -0.599 24.185 1.00 74.13 C ATOM 1368 NZ LYS A 84 -21.346 -1.357 24.348 1.00 32.23 N ATOM 0 H LYS A 84 -26.239 -0.661 21.055 1.00 3.14 H new ATOM 0 HA LYS A 84 -25.255 -1.872 23.573 1.00 4.32 H new ATOM 0 HB2 LYS A 84 -26.019 1.028 23.382 1.00 11.24 H new ATOM 0 HB3 LYS A 84 -24.916 0.241 24.494 1.00 11.24 H new ATOM 0 HG2 LYS A 84 -24.370 0.754 21.547 1.00 22.34 H new ATOM 0 HG3 LYS A 84 -23.744 1.708 22.878 1.00 22.34 H new ATOM 0 HD2 LYS A 84 -23.097 -1.167 22.170 1.00 3.33 H new ATOM 0 HD3 LYS A 84 -21.997 0.193 22.287 1.00 3.33 H new ATOM 0 HE2 LYS A 84 -22.571 0.318 24.773 1.00 74.13 H new ATOM 0 HE3 LYS A 84 -23.445 -1.189 24.579 1.00 74.13 H new ATOM 0 HZ1 LYS A 84 -21.197 -1.573 25.354 1.00 32.23 H new ATOM 0 HZ2 LYS A 84 -21.399 -2.244 23.808 1.00 32.23 H new ATOM 0 HZ3 LYS A 84 -20.553 -0.784 23.996 1.00 32.23 H new ATOM 1382 N ASN A 85 -27.498 -1.160 24.807 1.00 74.11 N ATOM 1383 CA ASN A 85 -28.849 -1.236 25.351 1.00 54.40 C ATOM 1384 C ASN A 85 -29.514 -2.557 24.977 1.00 65.24 C ATOM 1385 O ASN A 85 -29.659 -3.450 25.812 1.00 52.22 O ATOM 1386 CB ASN A 85 -29.693 -0.066 24.841 1.00 12.51 C ATOM 1387 CG ASN A 85 -29.203 1.271 25.364 1.00 54.24 C ATOM 1388 OD1 ASN A 85 -29.967 2.039 25.950 1.00 60.41 O ATOM 1389 ND2 ASN A 85 -27.924 1.556 25.152 1.00 23.02 N ATOM 0 H ASN A 85 -26.763 -1.098 25.511 1.00 74.11 H new ATOM 0 HA ASN A 85 -28.779 -1.180 26.437 1.00 54.40 H new ATOM 0 HB2 ASN A 85 -29.674 -0.056 23.751 1.00 12.51 H new ATOM 0 HB3 ASN A 85 -30.731 -0.212 25.141 1.00 12.51 H new ATOM 0 HD21 ASN A 85 -27.538 2.441 25.479 1.00 23.02 H new ATOM 0 HD22 ASN A 85 -27.327 0.890 24.662 1.00 23.02 H new ATOM 1396 N VAL A 86 -29.914 -2.675 23.715 1.00 72.24 N ATOM 1397 CA VAL A 86 -30.561 -3.888 23.228 1.00 13.12 C ATOM 1398 C VAL A 86 -31.561 -4.423 24.247 1.00 74.44 C ATOM 1399 O VAL A 86 -31.208 -5.214 25.121 1.00 2.21 O ATOM 1400 CB VAL A 86 -29.529 -4.987 22.912 1.00 52.41 C ATOM 1401 CG1 VAL A 86 -28.835 -4.702 21.589 1.00 70.33 C ATOM 1402 CG2 VAL A 86 -28.516 -5.106 24.040 1.00 2.32 C ATOM 0 H VAL A 86 -29.801 -1.945 23.011 1.00 72.24 H new ATOM 0 HA VAL A 86 -31.087 -3.621 22.312 1.00 13.12 H new ATOM 0 HB VAL A 86 -30.053 -5.939 22.823 1.00 52.41 H new ATOM 0 HG11 VAL A 86 -28.109 -5.489 21.382 1.00 70.33 H new ATOM 0 HG12 VAL A 86 -29.575 -4.671 20.789 1.00 70.33 H new ATOM 0 HG13 VAL A 86 -28.323 -3.742 21.646 1.00 70.33 H new ATOM 0 HG21 VAL A 86 -27.794 -5.887 23.800 1.00 2.32 H new ATOM 0 HG22 VAL A 86 -27.995 -4.156 24.163 1.00 2.32 H new ATOM 0 HG23 VAL A 86 -29.031 -5.360 24.966 1.00 2.32 H new ATOM 1412 N GLN A 87 -32.811 -3.988 24.126 1.00 52.30 N ATOM 1413 CA GLN A 87 -33.863 -4.424 25.037 1.00 50.31 C ATOM 1414 C GLN A 87 -34.667 -5.569 24.431 1.00 34.22 C ATOM 1415 O GLN A 87 -34.382 -6.740 24.679 1.00 11.23 O ATOM 1416 CB GLN A 87 -34.791 -3.256 25.374 1.00 12.44 C ATOM 1417 CG GLN A 87 -34.727 -2.117 24.369 1.00 72.54 C ATOM 1418 CD GLN A 87 -35.756 -1.039 24.642 1.00 14.50 C ATOM 1419 OE1 GLN A 87 -35.410 0.109 24.922 1.00 1.43 O ATOM 1420 NE2 GLN A 87 -37.031 -1.402 24.562 1.00 50.13 N ATOM 0 H GLN A 87 -33.120 -3.334 23.407 1.00 52.30 H new ATOM 0 HA GLN A 87 -33.391 -4.780 25.953 1.00 50.31 H new ATOM 0 HB2 GLN A 87 -35.816 -3.622 25.430 1.00 12.44 H new ATOM 0 HB3 GLN A 87 -34.535 -2.873 26.362 1.00 12.44 H new ATOM 0 HG2 GLN A 87 -33.730 -1.676 24.389 1.00 72.54 H new ATOM 0 HG3 GLN A 87 -34.880 -2.514 23.365 1.00 72.54 H new ATOM 0 HE21 GLN A 87 -37.273 -2.364 24.327 1.00 50.13 H new ATOM 0 HE22 GLN A 87 -37.768 -0.718 24.736 1.00 50.13 H new ATOM 1429 N ASN A 88 -35.674 -5.223 23.636 1.00 54.22 N ATOM 1430 CA ASN A 88 -36.521 -6.223 22.995 1.00 11.42 C ATOM 1431 C ASN A 88 -35.678 -7.245 22.239 1.00 34.20 C ATOM 1432 O ASN A 88 -35.899 -8.451 22.350 1.00 71.34 O ATOM 1433 CB ASN A 88 -37.506 -5.549 22.038 1.00 73.01 C ATOM 1434 CG ASN A 88 -37.742 -6.366 20.782 1.00 13.30 C ATOM 1435 OD1 ASN A 88 -37.073 -6.171 19.767 1.00 74.30 O ATOM 1436 ND2 ASN A 88 -38.698 -7.286 20.846 1.00 42.34 N ATOM 0 H ASN A 88 -35.924 -4.258 23.420 1.00 54.22 H new ATOM 0 HA ASN A 88 -37.079 -6.743 23.773 1.00 11.42 H new ATOM 0 HB2 ASN A 88 -38.456 -5.392 22.550 1.00 73.01 H new ATOM 0 HB3 ASN A 88 -37.125 -4.565 21.762 1.00 73.01 H new ATOM 0 HD21 ASN A 88 -38.903 -7.866 20.032 1.00 42.34 H new ATOM 0 HD22 ASN A 88 -39.227 -7.412 21.709 1.00 42.34 H new ATOM 1443 N VAL A 89 -34.711 -6.755 21.470 1.00 11.45 N ATOM 1444 CA VAL A 89 -33.834 -7.625 20.697 1.00 4.00 C ATOM 1445 C VAL A 89 -33.056 -8.570 21.606 1.00 33.03 C ATOM 1446 O VAL A 89 -32.620 -8.185 22.691 1.00 71.12 O ATOM 1447 CB VAL A 89 -32.838 -6.809 19.851 1.00 22.50 C ATOM 1448 CG1 VAL A 89 -32.361 -5.586 20.619 1.00 31.10 C ATOM 1449 CG2 VAL A 89 -31.661 -7.677 19.430 1.00 32.14 C ATOM 0 H VAL A 89 -34.515 -5.759 21.366 1.00 11.45 H new ATOM 0 HA VAL A 89 -34.472 -8.208 20.033 1.00 4.00 H new ATOM 0 HB VAL A 89 -33.348 -6.466 18.951 1.00 22.50 H new ATOM 0 HG11 VAL A 89 -31.658 -5.022 20.005 1.00 31.10 H new ATOM 0 HG12 VAL A 89 -33.215 -4.955 20.865 1.00 31.10 H new ATOM 0 HG13 VAL A 89 -31.867 -5.903 21.538 1.00 31.10 H new ATOM 0 HG21 VAL A 89 -30.967 -7.085 18.833 1.00 32.14 H new ATOM 0 HG22 VAL A 89 -31.149 -8.051 20.317 1.00 32.14 H new ATOM 0 HG23 VAL A 89 -32.022 -8.518 18.838 1.00 32.14 H new ATOM 1459 N MET A 90 -32.886 -9.809 21.156 1.00 14.14 N ATOM 1460 CA MET A 90 -32.160 -10.809 21.929 1.00 25.34 C ATOM 1461 C MET A 90 -30.701 -10.884 21.488 1.00 54.34 C ATOM 1462 O MET A 90 -29.788 -10.749 22.303 1.00 75.14 O ATOM 1463 CB MET A 90 -32.821 -12.181 21.779 1.00 42.32 C ATOM 1464 CG MET A 90 -34.333 -12.146 21.928 1.00 11.21 C ATOM 1465 SD MET A 90 -35.161 -13.379 20.906 1.00 43.04 S ATOM 1466 CE MET A 90 -34.956 -12.662 19.277 1.00 5.53 C ATOM 0 H MET A 90 -33.241 -10.144 20.260 1.00 14.14 H new ATOM 0 HA MET A 90 -32.190 -10.512 22.977 1.00 25.34 H new ATOM 0 HB2 MET A 90 -32.570 -12.591 20.801 1.00 42.32 H new ATOM 0 HB3 MET A 90 -32.406 -12.859 22.525 1.00 42.32 H new ATOM 0 HG2 MET A 90 -34.595 -12.311 22.973 1.00 11.21 H new ATOM 0 HG3 MET A 90 -34.698 -11.154 21.661 1.00 11.21 H new ATOM 0 HE1 MET A 90 -35.667 -13.116 18.587 1.00 5.53 H new ATOM 0 HE2 MET A 90 -35.134 -11.588 19.327 1.00 5.53 H new ATOM 0 HE3 MET A 90 -33.941 -12.845 18.924 1.00 5.53 H new ATOM 1476 N ASP A 91 -30.490 -11.099 20.194 1.00 52.01 N ATOM 1477 CA ASP A 91 -29.143 -11.190 19.644 1.00 63.50 C ATOM 1478 C ASP A 91 -29.184 -11.553 18.163 1.00 43.13 C ATOM 1479 O ASP A 91 -28.349 -11.100 17.379 1.00 14.43 O ATOM 1480 CB ASP A 91 -28.324 -12.229 20.413 1.00 13.32 C ATOM 1481 CG ASP A 91 -29.127 -13.473 20.739 1.00 62.03 C ATOM 1482 OD1 ASP A 91 -30.075 -13.374 21.545 1.00 14.32 O ATOM 1483 OD2 ASP A 91 -28.807 -14.546 20.186 1.00 21.12 O ATOM 0 H ASP A 91 -31.235 -11.213 19.507 1.00 52.01 H new ATOM 0 HA ASP A 91 -28.668 -10.214 19.748 1.00 63.50 H new ATOM 0 HB2 ASP A 91 -27.451 -12.508 19.823 1.00 13.32 H new ATOM 0 HB3 ASP A 91 -27.956 -11.785 21.338 1.00 13.32 H new ATOM 1488 N SER A 92 -30.159 -12.373 17.786 1.00 32.52 N ATOM 1489 CA SER A 92 -30.306 -12.801 16.400 1.00 51.12 C ATOM 1490 C SER A 92 -30.386 -11.597 15.466 1.00 74.22 C ATOM 1491 O SER A 92 -29.812 -11.604 14.378 1.00 42.04 O ATOM 1492 CB SER A 92 -31.556 -13.668 16.241 1.00 34.21 C ATOM 1493 OG SER A 92 -31.315 -14.756 15.365 1.00 0.40 O ATOM 0 H SER A 92 -30.860 -12.755 18.421 1.00 32.52 H new ATOM 0 HA SER A 92 -29.429 -13.390 16.132 1.00 51.12 H new ATOM 0 HB2 SER A 92 -31.868 -14.044 17.215 1.00 34.21 H new ATOM 0 HB3 SER A 92 -32.376 -13.062 15.856 1.00 34.21 H new ATOM 0 HG SER A 92 -32.129 -15.295 15.282 1.00 0.40 H new ATOM 1499 N GLN A 93 -31.104 -10.566 15.900 1.00 5.12 N ATOM 1500 CA GLN A 93 -31.260 -9.355 15.103 1.00 31.11 C ATOM 1501 C GLN A 93 -29.956 -8.566 15.049 1.00 22.42 C ATOM 1502 O GLN A 93 -29.612 -7.984 14.020 1.00 53.23 O ATOM 1503 CB GLN A 93 -32.375 -8.481 15.679 1.00 52.40 C ATOM 1504 CG GLN A 93 -33.772 -8.969 15.331 1.00 52.30 C ATOM 1505 CD GLN A 93 -34.423 -9.733 16.467 1.00 70.43 C ATOM 1506 OE1 GLN A 93 -34.946 -9.140 17.411 1.00 61.15 O ATOM 1507 NE2 GLN A 93 -34.395 -11.058 16.381 1.00 24.34 N ATOM 0 H GLN A 93 -31.586 -10.545 16.798 1.00 5.12 H new ATOM 0 HA GLN A 93 -31.526 -9.650 14.088 1.00 31.11 H new ATOM 0 HB2 GLN A 93 -32.272 -8.443 16.763 1.00 52.40 H new ATOM 0 HB3 GLN A 93 -32.253 -7.462 15.312 1.00 52.40 H new ATOM 0 HG2 GLN A 93 -34.396 -8.115 15.068 1.00 52.30 H new ATOM 0 HG3 GLN A 93 -33.720 -9.609 14.450 1.00 52.30 H new ATOM 0 HE21 GLN A 93 -33.951 -11.508 15.581 1.00 24.34 H new ATOM 0 HE22 GLN A 93 -34.818 -11.626 17.115 1.00 24.34 H new ATOM 1516 N LEU A 94 -29.233 -8.551 16.164 1.00 60.54 N ATOM 1517 CA LEU A 94 -27.965 -7.834 16.244 1.00 55.41 C ATOM 1518 C LEU A 94 -26.925 -8.461 15.321 1.00 12.33 C ATOM 1519 O LEU A 94 -26.270 -7.765 14.546 1.00 2.35 O ATOM 1520 CB LEU A 94 -27.450 -7.829 17.684 1.00 1.20 C ATOM 1521 CG LEU A 94 -28.450 -7.389 18.754 1.00 73.33 C ATOM 1522 CD1 LEU A 94 -27.846 -7.536 20.142 1.00 75.12 C ATOM 1523 CD2 LEU A 94 -28.893 -5.954 18.512 1.00 53.31 C ATOM 0 H LEU A 94 -29.503 -9.027 17.025 1.00 60.54 H new ATOM 0 HA LEU A 94 -28.136 -6.807 15.922 1.00 55.41 H new ATOM 0 HB2 LEU A 94 -27.105 -8.834 17.929 1.00 1.20 H new ATOM 0 HB3 LEU A 94 -26.581 -7.173 17.736 1.00 1.20 H new ATOM 0 HG LEU A 94 -29.327 -8.034 18.692 1.00 73.33 H new ATOM 0 HD11 LEU A 94 -28.572 -7.218 20.890 1.00 75.12 H new ATOM 0 HD12 LEU A 94 -27.580 -8.579 20.314 1.00 75.12 H new ATOM 0 HD13 LEU A 94 -26.952 -6.916 20.217 1.00 75.12 H new ATOM 0 HD21 LEU A 94 -29.604 -5.658 19.283 1.00 53.31 H new ATOM 0 HD22 LEU A 94 -28.026 -5.295 18.546 1.00 53.31 H new ATOM 0 HD23 LEU A 94 -29.367 -5.880 17.533 1.00 53.31 H new ATOM 1535 N GLN A 95 -26.782 -9.779 15.410 1.00 65.15 N ATOM 1536 CA GLN A 95 -25.822 -10.500 14.581 1.00 1.52 C ATOM 1537 C GLN A 95 -26.213 -10.429 13.109 1.00 60.22 C ATOM 1538 O GLN A 95 -25.353 -10.385 12.230 1.00 61.43 O ATOM 1539 CB GLN A 95 -25.727 -11.960 15.027 1.00 42.23 C ATOM 1540 CG GLN A 95 -25.545 -12.128 16.527 1.00 42.44 C ATOM 1541 CD GLN A 95 -25.856 -13.534 16.998 1.00 25.44 C ATOM 1542 OE1 GLN A 95 -26.045 -14.445 16.191 1.00 3.31 O ATOM 1543 NE2 GLN A 95 -25.910 -13.720 18.312 1.00 22.11 N ATOM 0 H GLN A 95 -27.317 -10.369 16.047 1.00 65.15 H new ATOM 0 HA GLN A 95 -24.847 -10.027 14.702 1.00 1.52 H new ATOM 0 HB2 GLN A 95 -26.631 -12.485 14.718 1.00 42.23 H new ATOM 0 HB3 GLN A 95 -24.891 -12.435 14.513 1.00 42.23 H new ATOM 0 HG2 GLN A 95 -24.518 -11.878 16.795 1.00 42.44 H new ATOM 0 HG3 GLN A 95 -26.192 -11.423 17.049 1.00 42.44 H new ATOM 0 HE21 GLN A 95 -25.747 -12.937 18.945 1.00 22.11 H new ATOM 0 HE22 GLN A 95 -26.115 -14.646 18.688 1.00 22.11 H new ATOM 1552 N MET A 96 -27.516 -10.419 12.848 1.00 70.34 N ATOM 1553 CA MET A 96 -28.021 -10.354 11.481 1.00 44.51 C ATOM 1554 C MET A 96 -27.544 -9.082 10.786 1.00 11.11 C ATOM 1555 O MET A 96 -27.170 -9.106 9.613 1.00 74.24 O ATOM 1556 CB MET A 96 -29.549 -10.409 11.476 1.00 75.23 C ATOM 1557 CG MET A 96 -30.181 -9.651 10.320 1.00 53.22 C ATOM 1558 SD MET A 96 -31.980 -9.594 10.427 1.00 13.32 S ATOM 1559 CE MET A 96 -32.235 -7.896 10.937 1.00 13.30 C ATOM 0 H MET A 96 -28.241 -10.455 13.564 1.00 70.34 H new ATOM 0 HA MET A 96 -27.632 -11.214 10.935 1.00 44.51 H new ATOM 0 HB2 MET A 96 -29.867 -11.451 11.433 1.00 75.23 H new ATOM 0 HB3 MET A 96 -29.922 -10.000 12.415 1.00 75.23 H new ATOM 0 HG2 MET A 96 -29.790 -8.634 10.301 1.00 53.22 H new ATOM 0 HG3 MET A 96 -29.892 -10.122 9.381 1.00 53.22 H new ATOM 0 HE1 MET A 96 -33.281 -7.625 10.791 1.00 13.30 H new ATOM 0 HE2 MET A 96 -31.976 -7.790 11.990 1.00 13.30 H new ATOM 0 HE3 MET A 96 -31.604 -7.238 10.340 1.00 13.30 H new ATOM 1569 N LEU A 97 -27.560 -7.973 11.517 1.00 50.53 N ATOM 1570 CA LEU A 97 -27.130 -6.690 10.970 1.00 25.32 C ATOM 1571 C LEU A 97 -25.638 -6.708 10.650 1.00 13.21 C ATOM 1572 O LEU A 97 -25.204 -6.168 9.633 1.00 40.44 O ATOM 1573 CB LEU A 97 -27.438 -5.563 11.958 1.00 63.43 C ATOM 1574 CG LEU A 97 -28.907 -5.392 12.343 1.00 55.43 C ATOM 1575 CD1 LEU A 97 -29.035 -4.534 13.592 1.00 32.33 C ATOM 1576 CD2 LEU A 97 -29.692 -4.780 11.192 1.00 54.15 C ATOM 0 H LEU A 97 -27.866 -7.936 12.489 1.00 50.53 H new ATOM 0 HA LEU A 97 -27.679 -6.514 10.045 1.00 25.32 H new ATOM 0 HB2 LEU A 97 -26.863 -5.737 12.867 1.00 63.43 H new ATOM 0 HB3 LEU A 97 -27.083 -4.625 11.531 1.00 63.43 H new ATOM 0 HG LEU A 97 -29.323 -6.376 12.558 1.00 55.43 H new ATOM 0 HD11 LEU A 97 -30.088 -4.423 13.851 1.00 32.33 H new ATOM 0 HD12 LEU A 97 -28.507 -5.012 14.417 1.00 32.33 H new ATOM 0 HD13 LEU A 97 -28.602 -3.551 13.404 1.00 32.33 H new ATOM 0 HD21 LEU A 97 -30.736 -4.666 11.484 1.00 54.15 H new ATOM 0 HD22 LEU A 97 -29.275 -3.804 10.946 1.00 54.15 H new ATOM 0 HD23 LEU A 97 -29.628 -5.432 10.321 1.00 54.15 H new ATOM 1588 N LYS A 98 -24.858 -7.334 11.525 1.00 71.04 N ATOM 1589 CA LYS A 98 -23.415 -7.426 11.335 1.00 74.22 C ATOM 1590 C LYS A 98 -23.083 -8.045 9.981 1.00 52.23 C ATOM 1591 O LYS A 98 -22.146 -7.618 9.306 1.00 74.12 O ATOM 1592 CB LYS A 98 -22.785 -8.256 12.455 1.00 21.32 C ATOM 1593 CG LYS A 98 -22.973 -7.655 13.837 1.00 4.12 C ATOM 1594 CD LYS A 98 -22.297 -6.299 13.952 1.00 42.23 C ATOM 1595 CE LYS A 98 -21.290 -6.272 15.091 1.00 24.42 C ATOM 1596 NZ LYS A 98 -19.915 -6.602 14.624 1.00 44.21 N ATOM 0 H LYS A 98 -25.201 -7.785 12.373 1.00 71.04 H new ATOM 0 HA LYS A 98 -23.005 -6.417 11.364 1.00 74.22 H new ATOM 0 HB2 LYS A 98 -23.217 -9.257 12.441 1.00 21.32 H new ATOM 0 HB3 LYS A 98 -21.719 -8.367 12.258 1.00 21.32 H new ATOM 0 HG2 LYS A 98 -24.037 -7.551 14.048 1.00 4.12 H new ATOM 0 HG3 LYS A 98 -22.564 -8.331 14.588 1.00 4.12 H new ATOM 0 HD2 LYS A 98 -21.794 -6.062 13.015 1.00 42.23 H new ATOM 0 HD3 LYS A 98 -23.051 -5.528 14.113 1.00 42.23 H new ATOM 0 HE2 LYS A 98 -21.290 -5.284 15.552 1.00 24.42 H new ATOM 0 HE3 LYS A 98 -21.593 -6.983 15.860 1.00 24.42 H new ATOM 0 HZ1 LYS A 98 -19.258 -6.573 15.430 1.00 44.21 H new ATOM 0 HZ2 LYS A 98 -19.909 -7.555 14.207 1.00 44.21 H new ATOM 0 HZ3 LYS A 98 -19.616 -5.909 13.908 1.00 44.21 H new ATOM 1610 N SER A 99 -23.858 -9.052 9.589 1.00 3.50 N ATOM 1611 CA SER A 99 -23.644 -9.730 8.316 1.00 22.22 C ATOM 1612 C SER A 99 -23.922 -8.791 7.146 1.00 34.24 C ATOM 1613 O SER A 99 -23.229 -8.826 6.131 1.00 44.22 O ATOM 1614 CB SER A 99 -24.539 -10.967 8.217 1.00 40.23 C ATOM 1615 OG SER A 99 -23.920 -11.984 7.449 1.00 24.31 O ATOM 0 H SER A 99 -24.639 -9.416 10.135 1.00 3.50 H new ATOM 0 HA SER A 99 -22.600 -10.041 8.269 1.00 22.22 H new ATOM 0 HB2 SER A 99 -24.757 -11.343 9.217 1.00 40.23 H new ATOM 0 HB3 SER A 99 -25.492 -10.695 7.764 1.00 40.23 H new ATOM 0 HG SER A 99 -24.511 -12.764 7.402 1.00 24.31 H new ATOM 1621 N GLU A 100 -24.943 -7.953 7.298 1.00 33.43 N ATOM 1622 CA GLU A 100 -25.315 -7.005 6.254 1.00 24.53 C ATOM 1623 C GLU A 100 -24.317 -5.853 6.187 1.00 52.55 C ATOM 1624 O GLU A 100 -24.166 -5.208 5.149 1.00 52.24 O ATOM 1625 CB GLU A 100 -26.723 -6.462 6.505 1.00 23.03 C ATOM 1626 CG GLU A 100 -27.773 -7.547 6.676 1.00 64.24 C ATOM 1627 CD GLU A 100 -28.792 -7.554 5.554 1.00 55.45 C ATOM 1628 OE1 GLU A 100 -28.381 -7.628 4.377 1.00 23.31 O ATOM 1629 OE2 GLU A 100 -30.003 -7.484 5.853 1.00 51.03 O ATOM 0 H GLU A 100 -25.527 -7.911 8.133 1.00 33.43 H new ATOM 0 HA GLU A 100 -25.302 -7.530 5.299 1.00 24.53 H new ATOM 0 HB2 GLU A 100 -26.709 -5.838 7.399 1.00 23.03 H new ATOM 0 HB3 GLU A 100 -27.009 -5.819 5.672 1.00 23.03 H new ATOM 0 HG2 GLU A 100 -27.282 -8.519 6.722 1.00 64.24 H new ATOM 0 HG3 GLU A 100 -28.286 -7.404 7.627 1.00 64.24 H new ATOM 1636 N PHE A 101 -23.639 -5.598 7.301 1.00 61.53 N ATOM 1637 CA PHE A 101 -22.657 -4.523 7.369 1.00 1.44 C ATOM 1638 C PHE A 101 -21.546 -4.734 6.345 1.00 23.44 C ATOM 1639 O PHE A 101 -20.916 -3.780 5.888 1.00 14.12 O ATOM 1640 CB PHE A 101 -22.060 -4.437 8.776 1.00 73.12 C ATOM 1641 CG PHE A 101 -23.017 -3.897 9.801 1.00 65.52 C ATOM 1642 CD1 PHE A 101 -24.332 -3.621 9.463 1.00 64.01 C ATOM 1643 CD2 PHE A 101 -22.601 -3.667 11.102 1.00 24.21 C ATOM 1644 CE1 PHE A 101 -25.213 -3.124 10.404 1.00 51.30 C ATOM 1645 CE2 PHE A 101 -23.478 -3.170 12.048 1.00 62.33 C ATOM 1646 CZ PHE A 101 -24.786 -2.899 11.698 1.00 31.22 C ATOM 0 H PHE A 101 -23.752 -6.122 8.169 1.00 61.53 H new ATOM 0 HA PHE A 101 -23.165 -3.586 7.139 1.00 1.44 H new ATOM 0 HB2 PHE A 101 -21.732 -5.430 9.084 1.00 73.12 H new ATOM 0 HB3 PHE A 101 -21.174 -3.803 8.748 1.00 73.12 H new ATOM 0 HD1 PHE A 101 -24.672 -3.796 8.453 1.00 64.01 H new ATOM 0 HD2 PHE A 101 -21.579 -3.878 11.381 1.00 24.21 H new ATOM 0 HE1 PHE A 101 -26.235 -2.912 10.128 1.00 51.30 H new ATOM 0 HE2 PHE A 101 -23.141 -2.994 13.059 1.00 62.33 H new ATOM 0 HZ PHE A 101 -25.474 -2.512 12.435 1.00 31.22 H new ATOM 1656 N LYS A 102 -21.309 -5.993 5.990 1.00 51.53 N ATOM 1657 CA LYS A 102 -20.275 -6.332 5.020 1.00 60.34 C ATOM 1658 C LYS A 102 -20.696 -5.925 3.611 1.00 64.51 C ATOM 1659 O LYS A 102 -19.899 -5.381 2.847 1.00 44.14 O ATOM 1660 CB LYS A 102 -19.981 -7.834 5.062 1.00 43.52 C ATOM 1661 CG LYS A 102 -18.499 -8.164 5.025 1.00 63.14 C ATOM 1662 CD LYS A 102 -18.119 -9.148 6.119 1.00 51.05 C ATOM 1663 CE LYS A 102 -17.961 -8.453 7.462 1.00 24.44 C ATOM 1664 NZ LYS A 102 -16.606 -7.856 7.622 1.00 42.05 N ATOM 0 H LYS A 102 -21.819 -6.795 6.360 1.00 51.53 H new ATOM 0 HA LYS A 102 -19.371 -5.783 5.283 1.00 60.34 H new ATOM 0 HB2 LYS A 102 -20.416 -8.256 5.968 1.00 43.52 H new ATOM 0 HB3 LYS A 102 -20.473 -8.316 4.217 1.00 43.52 H new ATOM 0 HG2 LYS A 102 -18.243 -8.584 4.052 1.00 63.14 H new ATOM 0 HG3 LYS A 102 -17.919 -7.249 5.140 1.00 63.14 H new ATOM 0 HD2 LYS A 102 -18.883 -9.921 6.196 1.00 51.05 H new ATOM 0 HD3 LYS A 102 -17.187 -9.646 5.854 1.00 51.05 H new ATOM 0 HE2 LYS A 102 -18.715 -7.672 7.558 1.00 24.44 H new ATOM 0 HE3 LYS A 102 -18.140 -9.169 8.264 1.00 24.44 H new ATOM 0 HZ1 LYS A 102 -16.539 -7.392 8.550 1.00 42.05 H new ATOM 0 HZ2 LYS A 102 -15.887 -8.604 7.556 1.00 42.05 H new ATOM 0 HZ3 LYS A 102 -16.445 -7.154 6.871 1.00 42.05 H new ATOM 1678 N LYS A 103 -21.953 -6.192 3.274 1.00 41.23 N ATOM 1679 CA LYS A 103 -22.481 -5.851 1.958 1.00 32.21 C ATOM 1680 C LYS A 103 -22.572 -4.339 1.783 1.00 43.30 C ATOM 1681 O LYS A 103 -22.256 -3.808 0.718 1.00 60.04 O ATOM 1682 CB LYS A 103 -23.862 -6.482 1.761 1.00 3.43 C ATOM 1683 CG LYS A 103 -23.810 -7.936 1.328 1.00 61.42 C ATOM 1684 CD LYS A 103 -23.607 -8.865 2.513 1.00 0.34 C ATOM 1685 CE LYS A 103 -24.919 -9.153 3.227 1.00 51.41 C ATOM 1686 NZ LYS A 103 -25.732 -10.170 2.505 1.00 64.34 N ATOM 0 H LYS A 103 -22.625 -6.644 3.894 1.00 41.23 H new ATOM 0 HA LYS A 103 -21.797 -6.245 1.206 1.00 32.21 H new ATOM 0 HB2 LYS A 103 -24.422 -6.409 2.693 1.00 3.43 H new ATOM 0 HB3 LYS A 103 -24.411 -5.909 1.014 1.00 3.43 H new ATOM 0 HG2 LYS A 103 -24.736 -8.197 0.815 1.00 61.42 H new ATOM 0 HG3 LYS A 103 -22.999 -8.075 0.613 1.00 61.42 H new ATOM 0 HD2 LYS A 103 -23.164 -9.801 2.171 1.00 0.34 H new ATOM 0 HD3 LYS A 103 -22.902 -8.416 3.212 1.00 0.34 H new ATOM 0 HE2 LYS A 103 -24.713 -9.504 4.238 1.00 51.41 H new ATOM 0 HE3 LYS A 103 -25.492 -8.230 3.321 1.00 51.41 H new ATOM 0 HZ1 LYS A 103 -26.618 -10.338 3.023 1.00 64.34 H new ATOM 0 HZ2 LYS A 103 -25.951 -9.824 1.549 1.00 64.34 H new ATOM 0 HZ3 LYS A 103 -25.196 -11.059 2.438 1.00 64.34 H new ATOM 1700 N ILE A 104 -23.003 -3.651 2.835 1.00 51.33 N ATOM 1701 CA ILE A 104 -23.132 -2.199 2.797 1.00 60.31 C ATOM 1702 C ILE A 104 -21.775 -1.532 2.598 1.00 13.14 C ATOM 1703 O ILE A 104 -21.625 -0.645 1.758 1.00 42.33 O ATOM 1704 CB ILE A 104 -23.774 -1.657 4.088 1.00 72.35 C ATOM 1705 CG1 ILE A 104 -25.282 -1.916 4.080 1.00 13.21 C ATOM 1706 CG2 ILE A 104 -23.487 -0.171 4.238 1.00 2.04 C ATOM 1707 CD1 ILE A 104 -25.775 -2.650 5.307 1.00 15.03 C ATOM 0 H ILE A 104 -23.269 -4.075 3.724 1.00 51.33 H new ATOM 0 HA ILE A 104 -23.778 -1.961 1.952 1.00 60.31 H new ATOM 0 HB ILE A 104 -23.339 -2.179 4.940 1.00 72.35 H new ATOM 0 HG12 ILE A 104 -25.806 -0.963 4.001 1.00 13.21 H new ATOM 0 HG13 ILE A 104 -25.538 -2.495 3.193 1.00 13.21 H new ATOM 0 HG21 ILE A 104 -23.947 0.198 5.155 1.00 2.04 H new ATOM 0 HG22 ILE A 104 -22.410 -0.011 4.283 1.00 2.04 H new ATOM 0 HG23 ILE A 104 -23.898 0.367 3.384 1.00 2.04 H new ATOM 0 HD11 ILE A 104 -26.852 -2.799 5.233 1.00 15.03 H new ATOM 0 HD12 ILE A 104 -25.279 -3.618 5.376 1.00 15.03 H new ATOM 0 HD13 ILE A 104 -25.550 -2.063 6.197 1.00 15.03 H new ATOM 1719 N HIS A 105 -20.789 -1.966 3.377 1.00 41.32 N ATOM 1720 CA HIS A 105 -19.443 -1.412 3.285 1.00 43.20 C ATOM 1721 C HIS A 105 -18.837 -1.680 1.910 1.00 33.35 C ATOM 1722 O HIS A 105 -18.205 -0.806 1.319 1.00 71.51 O ATOM 1723 CB HIS A 105 -18.549 -2.006 4.374 1.00 63.02 C ATOM 1724 CG HIS A 105 -17.196 -1.367 4.453 1.00 35.02 C ATOM 1725 ND1 HIS A 105 -16.308 -1.351 3.398 1.00 35.04 N ATOM 1726 CD2 HIS A 105 -16.583 -0.717 5.470 1.00 64.52 C ATOM 1727 CE1 HIS A 105 -15.206 -0.721 3.763 1.00 12.23 C ATOM 1728 NE2 HIS A 105 -15.347 -0.326 5.016 1.00 52.02 N ATOM 0 H HIS A 105 -20.897 -2.699 4.078 1.00 41.32 H new ATOM 0 HA HIS A 105 -19.510 -0.334 3.428 1.00 43.20 H new ATOM 0 HB2 HIS A 105 -19.047 -1.903 5.338 1.00 63.02 H new ATOM 0 HB3 HIS A 105 -18.427 -3.074 4.191 1.00 63.02 H new ATOM 0 HD1 HIS A 105 -16.476 -1.761 2.479 1.00 35.04 H new ATOM 0 HD2 HIS A 105 -16.990 -0.539 6.455 1.00 64.52 H new ATOM 0 HE1 HIS A 105 -14.337 -0.557 3.143 1.00 12.23 H new ATOM 1736 N ASN A 106 -19.035 -2.895 1.409 1.00 32.21 N ATOM 1737 CA ASN A 106 -18.507 -3.279 0.105 1.00 74.02 C ATOM 1738 C ASN A 106 -19.000 -2.329 -0.982 1.00 52.14 C ATOM 1739 O ASN A 106 -18.245 -1.945 -1.876 1.00 53.43 O ATOM 1740 CB ASN A 106 -18.917 -4.714 -0.232 1.00 73.12 C ATOM 1741 CG ASN A 106 -17.724 -5.641 -0.359 1.00 72.52 C ATOM 1742 OD1 ASN A 106 -16.734 -5.312 -1.012 1.00 52.44 O ATOM 1743 ND2 ASN A 106 -17.814 -6.809 0.267 1.00 64.34 N ATOM 0 H ASN A 106 -19.557 -3.630 1.886 1.00 32.21 H new ATOM 0 HA ASN A 106 -17.419 -3.220 0.149 1.00 74.02 H new ATOM 0 HB2 ASN A 106 -19.585 -5.090 0.543 1.00 73.12 H new ATOM 0 HB3 ASN A 106 -19.479 -4.719 -1.166 1.00 73.12 H new ATOM 0 HD21 ASN A 106 -17.043 -7.475 0.218 1.00 64.34 H new ATOM 0 HD22 ASN A 106 -18.654 -7.040 0.797 1.00 64.34 H new ATOM 1750 N THR A 107 -20.273 -1.952 -0.900 1.00 24.34 N ATOM 1751 CA THR A 107 -20.867 -1.048 -1.876 1.00 10.13 C ATOM 1752 C THR A 107 -20.510 0.402 -1.571 1.00 5.23 C ATOM 1753 O THR A 107 -20.391 1.226 -2.477 1.00 55.34 O ATOM 1754 CB THR A 107 -22.400 -1.190 -1.912 1.00 54.02 C ATOM 1755 OG1 THR A 107 -22.954 -0.279 -2.868 1.00 52.20 O ATOM 1756 CG2 THR A 107 -23.002 -0.922 -0.541 1.00 4.42 C ATOM 0 H THR A 107 -20.912 -2.260 -0.167 1.00 24.34 H new ATOM 0 HA THR A 107 -20.461 -1.322 -2.849 1.00 10.13 H new ATOM 0 HB THR A 107 -22.641 -2.213 -2.203 1.00 54.02 H new ATOM 0 HG1 THR A 107 -23.929 -0.377 -2.886 1.00 52.20 H new ATOM 0 HG21 THR A 107 -24.086 -1.028 -0.592 1.00 4.42 H new ATOM 0 HG22 THR A 107 -22.601 -1.636 0.178 1.00 4.42 H new ATOM 0 HG23 THR A 107 -22.751 0.091 -0.225 1.00 4.42 H new ATOM 1764 N SER A 108 -20.338 0.707 -0.288 1.00 43.44 N ATOM 1765 CA SER A 108 -19.996 2.060 0.136 1.00 33.03 C ATOM 1766 C SER A 108 -18.521 2.155 0.513 1.00 20.11 C ATOM 1767 O SER A 108 -18.115 3.050 1.254 1.00 2.13 O ATOM 1768 CB SER A 108 -20.866 2.479 1.323 1.00 4.23 C ATOM 1769 OG SER A 108 -21.896 3.362 0.914 1.00 31.33 O ATOM 0 H SER A 108 -20.430 0.036 0.475 1.00 43.44 H new ATOM 0 HA SER A 108 -20.183 2.735 -0.699 1.00 33.03 H new ATOM 0 HB2 SER A 108 -21.304 1.595 1.787 1.00 4.23 H new ATOM 0 HB3 SER A 108 -20.247 2.963 2.079 1.00 4.23 H new ATOM 0 HG SER A 108 -22.023 4.055 1.596 1.00 31.33 H new ATOM 1775 N ARG A 109 -17.724 1.225 -0.003 1.00 1.02 N ATOM 1776 CA ARG A 109 -16.294 1.202 0.280 1.00 41.12 C ATOM 1777 C ARG A 109 -15.619 2.472 -0.230 1.00 5.03 C ATOM 1778 O ARG A 109 -15.081 2.500 -1.336 1.00 4.43 O ATOM 1779 CB ARG A 109 -15.645 -0.026 -0.362 1.00 12.21 C ATOM 1780 CG ARG A 109 -14.127 0.039 -0.403 1.00 32.42 C ATOM 1781 CD ARG A 109 -13.506 -1.337 -0.219 1.00 71.34 C ATOM 1782 NE ARG A 109 -12.532 -1.641 -1.264 1.00 24.53 N ATOM 1783 CZ ARG A 109 -12.864 -1.948 -2.513 1.00 14.03 C ATOM 1784 NH1 ARG A 109 -14.140 -1.990 -2.871 1.00 32.31 N ATOM 1785 NH2 ARG A 109 -11.920 -2.212 -3.406 1.00 61.54 N ATOM 0 H ARG A 109 -18.044 0.478 -0.619 1.00 1.02 H new ATOM 0 HA ARG A 109 -16.164 1.150 1.361 1.00 41.12 H new ATOM 0 HB2 ARG A 109 -15.947 -0.916 0.189 1.00 12.21 H new ATOM 0 HB3 ARG A 109 -16.023 -0.137 -1.378 1.00 12.21 H new ATOM 0 HG2 ARG A 109 -13.805 0.460 -1.355 1.00 32.42 H new ATOM 0 HG3 ARG A 109 -13.769 0.709 0.379 1.00 32.42 H new ATOM 0 HD2 ARG A 109 -13.020 -1.388 0.755 1.00 71.34 H new ATOM 0 HD3 ARG A 109 -14.291 -2.093 -0.224 1.00 71.34 H new ATOM 0 HE ARG A 109 -11.542 -1.616 -1.021 1.00 24.53 H new ATOM 0 HH11 ARG A 109 -14.869 -1.786 -2.187 1.00 32.31 H new ATOM 0 HH12 ARG A 109 -14.393 -2.226 -3.831 1.00 32.31 H new ATOM 0 HH21 ARG A 109 -10.937 -2.180 -3.134 1.00 61.54 H new ATOM 0 HH22 ARG A 109 -12.176 -2.448 -4.365 1.00 61.54 H new ATOM 1799 N GLY A 110 -15.652 3.522 0.586 1.00 65.22 N ATOM 1800 CA GLY A 110 -15.040 4.780 0.200 1.00 11.21 C ATOM 1801 C GLY A 110 -15.935 5.970 0.483 1.00 11.42 C ATOM 1802 O GLY A 110 -15.456 7.095 0.623 1.00 2.13 O ATOM 0 H GLY A 110 -16.091 3.524 1.507 1.00 65.22 H new ATOM 0 HA2 GLY A 110 -14.098 4.902 0.735 1.00 11.21 H new ATOM 0 HA3 GLY A 110 -14.801 4.753 -0.863 1.00 11.21 H new ATOM 1806 N GLN A 111 -17.238 5.723 0.566 1.00 73.53 N ATOM 1807 CA GLN A 111 -18.202 6.784 0.831 1.00 1.13 C ATOM 1808 C GLN A 111 -18.783 6.653 2.236 1.00 44.35 C ATOM 1809 O GLN A 111 -18.322 5.838 3.034 1.00 73.44 O ATOM 1810 CB GLN A 111 -19.328 6.751 -0.204 1.00 25.20 C ATOM 1811 CG GLN A 111 -20.080 5.431 -0.242 1.00 34.31 C ATOM 1812 CD GLN A 111 -20.510 5.044 -1.643 1.00 61.14 C ATOM 1813 OE1 GLN A 111 -21.618 5.363 -2.076 1.00 4.20 O ATOM 1814 NE2 GLN A 111 -19.633 4.352 -2.362 1.00 10.41 N ATOM 0 H GLN A 111 -17.651 4.797 0.453 1.00 73.53 H new ATOM 0 HA GLN A 111 -17.681 7.739 0.760 1.00 1.13 H new ATOM 0 HB2 GLN A 111 -20.032 7.555 0.011 1.00 25.20 H new ATOM 0 HB3 GLN A 111 -18.909 6.950 -1.191 1.00 25.20 H new ATOM 0 HG2 GLN A 111 -19.447 4.645 0.170 1.00 34.31 H new ATOM 0 HG3 GLN A 111 -20.960 5.500 0.398 1.00 34.31 H new ATOM 0 HE21 GLN A 111 -18.726 4.109 -1.964 1.00 10.41 H new ATOM 0 HE22 GLN A 111 -19.867 4.064 -3.312 1.00 10.41 H new ATOM 1823 N GLU A 112 -19.795 7.463 2.530 1.00 75.54 N ATOM 1824 CA GLU A 112 -20.438 7.437 3.839 1.00 45.04 C ATOM 1825 C GLU A 112 -21.159 6.112 4.065 1.00 73.32 C ATOM 1826 O GLU A 112 -21.868 5.621 3.185 1.00 24.23 O ATOM 1827 CB GLU A 112 -21.426 8.598 3.969 1.00 32.50 C ATOM 1828 CG GLU A 112 -20.890 9.917 3.439 1.00 23.33 C ATOM 1829 CD GLU A 112 -21.802 11.086 3.755 1.00 43.32 C ATOM 1830 OE1 GLU A 112 -22.582 10.984 4.724 1.00 14.24 O ATOM 1831 OE2 GLU A 112 -21.735 12.103 3.033 1.00 73.11 O ATOM 0 H GLU A 112 -20.187 8.145 1.880 1.00 75.54 H new ATOM 0 HA GLU A 112 -19.663 7.542 4.598 1.00 45.04 H new ATOM 0 HB2 GLU A 112 -22.341 8.346 3.434 1.00 32.50 H new ATOM 0 HB3 GLU A 112 -21.694 8.720 5.019 1.00 32.50 H new ATOM 0 HG2 GLU A 112 -19.905 10.103 3.867 1.00 23.33 H new ATOM 0 HG3 GLU A 112 -20.759 9.844 2.359 1.00 23.33 H new ATOM 1838 N ILE A 113 -20.973 5.538 5.249 1.00 54.31 N ATOM 1839 CA ILE A 113 -21.607 4.271 5.591 1.00 24.21 C ATOM 1840 C ILE A 113 -22.450 4.401 6.855 1.00 2.00 C ATOM 1841 O ILE A 113 -23.178 3.480 7.225 1.00 75.23 O ATOM 1842 CB ILE A 113 -20.563 3.157 5.796 1.00 3.35 C ATOM 1843 CG1 ILE A 113 -19.731 3.433 7.051 1.00 41.03 C ATOM 1844 CG2 ILE A 113 -19.665 3.041 4.574 1.00 42.02 C ATOM 1845 CD1 ILE A 113 -18.957 2.229 7.540 1.00 73.54 C ATOM 0 H ILE A 113 -20.389 5.930 5.987 1.00 54.31 H new ATOM 0 HA ILE A 113 -22.252 4.005 4.753 1.00 24.21 H new ATOM 0 HB ILE A 113 -21.085 2.210 5.930 1.00 3.35 H new ATOM 0 HG12 ILE A 113 -19.033 4.244 6.843 1.00 41.03 H new ATOM 0 HG13 ILE A 113 -20.392 3.778 7.847 1.00 41.03 H new ATOM 0 HG21 ILE A 113 -18.933 2.250 4.734 1.00 42.02 H new ATOM 0 HG22 ILE A 113 -20.270 2.804 3.699 1.00 42.02 H new ATOM 0 HG23 ILE A 113 -19.148 3.987 4.412 1.00 42.02 H new ATOM 0 HD11 ILE A 113 -18.391 2.498 8.432 1.00 73.54 H new ATOM 0 HD12 ILE A 113 -19.651 1.423 7.780 1.00 73.54 H new ATOM 0 HD13 ILE A 113 -18.271 1.897 6.761 1.00 73.54 H new ATOM 1857 N ILE A 114 -22.347 5.551 7.512 1.00 2.14 N ATOM 1858 CA ILE A 114 -23.102 5.803 8.733 1.00 32.02 C ATOM 1859 C ILE A 114 -24.602 5.817 8.458 1.00 11.35 C ATOM 1860 O ILE A 114 -25.387 5.236 9.208 1.00 10.00 O ATOM 1861 CB ILE A 114 -22.697 7.141 9.380 1.00 73.21 C ATOM 1862 CG1 ILE A 114 -21.176 7.227 9.515 1.00 44.35 C ATOM 1863 CG2 ILE A 114 -23.364 7.296 10.738 1.00 33.45 C ATOM 1864 CD1 ILE A 114 -20.591 6.188 10.445 1.00 33.21 C ATOM 0 H ILE A 114 -21.748 6.323 7.219 1.00 2.14 H new ATOM 0 HA ILE A 114 -22.869 4.991 9.422 1.00 32.02 H new ATOM 0 HB ILE A 114 -23.033 7.955 8.737 1.00 73.21 H new ATOM 0 HG12 ILE A 114 -20.725 7.115 8.529 1.00 44.35 H new ATOM 0 HG13 ILE A 114 -20.907 8.219 9.877 1.00 44.35 H new ATOM 0 HG21 ILE A 114 -23.068 8.246 11.182 1.00 33.45 H new ATOM 0 HG22 ILE A 114 -24.447 7.274 10.616 1.00 33.45 H new ATOM 0 HG23 ILE A 114 -23.056 6.479 11.390 1.00 33.45 H new ATOM 0 HD11 ILE A 114 -19.509 6.310 10.492 1.00 33.21 H new ATOM 0 HD12 ILE A 114 -21.013 6.313 11.442 1.00 33.21 H new ATOM 0 HD13 ILE A 114 -20.828 5.191 10.073 1.00 33.21 H new ATOM 1876 N PHE A 115 -24.994 6.484 7.378 1.00 43.03 N ATOM 1877 CA PHE A 115 -26.400 6.574 7.003 1.00 70.44 C ATOM 1878 C PHE A 115 -26.907 5.237 6.470 1.00 70.33 C ATOM 1879 O PHE A 115 -28.050 4.852 6.716 1.00 5.13 O ATOM 1880 CB PHE A 115 -26.600 7.665 5.949 1.00 71.44 C ATOM 1881 CG PHE A 115 -28.035 8.074 5.775 1.00 44.51 C ATOM 1882 CD1 PHE A 115 -28.711 8.724 6.794 1.00 15.52 C ATOM 1883 CD2 PHE A 115 -28.706 7.809 4.592 1.00 14.24 C ATOM 1884 CE1 PHE A 115 -30.032 9.103 6.638 1.00 45.44 C ATOM 1885 CE2 PHE A 115 -30.026 8.186 4.430 1.00 51.11 C ATOM 1886 CZ PHE A 115 -30.690 8.833 5.454 1.00 21.21 C ATOM 0 H PHE A 115 -24.357 6.970 6.747 1.00 43.03 H new ATOM 0 HA PHE A 115 -26.972 6.831 7.894 1.00 70.44 H new ATOM 0 HB2 PHE A 115 -26.012 8.540 6.227 1.00 71.44 H new ATOM 0 HB3 PHE A 115 -26.213 7.311 4.993 1.00 71.44 H new ATOM 0 HD1 PHE A 115 -28.201 8.938 7.722 1.00 15.52 H new ATOM 0 HD2 PHE A 115 -28.192 7.303 3.788 1.00 14.24 H new ATOM 0 HE1 PHE A 115 -30.548 9.609 7.440 1.00 45.44 H new ATOM 0 HE2 PHE A 115 -30.538 7.975 3.503 1.00 51.11 H new ATOM 0 HZ PHE A 115 -31.722 9.127 5.329 1.00 21.21 H new ATOM 1896 N GLU A 116 -26.048 4.534 5.737 1.00 12.33 N ATOM 1897 CA GLU A 116 -26.410 3.241 5.168 1.00 4.33 C ATOM 1898 C GLU A 116 -26.643 2.209 6.268 1.00 52.13 C ATOM 1899 O GLU A 116 -27.642 1.489 6.255 1.00 0.04 O ATOM 1900 CB GLU A 116 -25.313 2.752 4.219 1.00 15.42 C ATOM 1901 CG GLU A 116 -24.974 3.744 3.120 1.00 44.44 C ATOM 1902 CD GLU A 116 -26.050 3.827 2.055 1.00 15.12 C ATOM 1903 OE1 GLU A 116 -26.532 2.763 1.613 1.00 4.02 O ATOM 1904 OE2 GLU A 116 -26.412 4.957 1.665 1.00 72.13 O ATOM 0 H GLU A 116 -25.098 4.838 5.524 1.00 12.33 H new ATOM 0 HA GLU A 116 -27.337 3.365 4.608 1.00 4.33 H new ATOM 0 HB2 GLU A 116 -24.413 2.540 4.796 1.00 15.42 H new ATOM 0 HB3 GLU A 116 -25.629 1.813 3.765 1.00 15.42 H new ATOM 0 HG2 GLU A 116 -24.826 4.731 3.559 1.00 44.44 H new ATOM 0 HG3 GLU A 116 -24.030 3.457 2.656 1.00 44.44 H new ATOM 1911 N ILE A 117 -25.715 2.143 7.216 1.00 1.41 N ATOM 1912 CA ILE A 117 -25.820 1.200 8.323 1.00 45.53 C ATOM 1913 C ILE A 117 -27.031 1.510 9.196 1.00 5.12 C ATOM 1914 O ILE A 117 -27.746 0.606 9.629 1.00 2.03 O ATOM 1915 CB ILE A 117 -24.552 1.216 9.198 1.00 51.34 C ATOM 1916 CG1 ILE A 117 -24.288 -0.175 9.776 1.00 32.25 C ATOM 1917 CG2 ILE A 117 -24.691 2.242 10.312 1.00 0.15 C ATOM 1918 CD1 ILE A 117 -22.823 -0.551 9.802 1.00 12.04 C ATOM 0 H ILE A 117 -24.882 2.731 7.240 1.00 1.41 H new ATOM 0 HA ILE A 117 -25.936 0.209 7.884 1.00 45.53 H new ATOM 0 HB ILE A 117 -23.702 1.497 8.576 1.00 51.34 H new ATOM 0 HG12 ILE A 117 -24.684 -0.219 10.791 1.00 32.25 H new ATOM 0 HG13 ILE A 117 -24.834 -0.913 9.188 1.00 32.25 H new ATOM 0 HG21 ILE A 117 -23.787 2.242 10.922 1.00 0.15 H new ATOM 0 HG22 ILE A 117 -24.836 3.232 9.879 1.00 0.15 H new ATOM 0 HG23 ILE A 117 -25.549 1.989 10.935 1.00 0.15 H new ATOM 0 HD11 ILE A 117 -22.711 -1.550 10.224 1.00 12.04 H new ATOM 0 HD12 ILE A 117 -22.426 -0.540 8.787 1.00 12.04 H new ATOM 0 HD13 ILE A 117 -22.274 0.165 10.414 1.00 12.04 H new ATOM 1930 N THR A 118 -27.257 2.795 9.451 1.00 42.33 N ATOM 1931 CA THR A 118 -28.382 3.225 10.272 1.00 45.33 C ATOM 1932 C THR A 118 -29.708 2.961 9.569 1.00 51.13 C ATOM 1933 O THR A 118 -30.668 2.501 10.187 1.00 52.23 O ATOM 1934 CB THR A 118 -28.285 4.724 10.616 1.00 74.33 C ATOM 1935 OG1 THR A 118 -28.375 5.507 9.421 1.00 43.54 O ATOM 1936 CG2 THR A 118 -26.980 5.031 11.334 1.00 51.43 C ATOM 0 H THR A 118 -26.676 3.556 9.101 1.00 42.33 H new ATOM 0 HA THR A 118 -28.341 2.645 11.194 1.00 45.33 H new ATOM 0 HB THR A 118 -29.113 4.977 11.278 1.00 74.33 H new ATOM 0 HG1 THR A 118 -28.314 6.458 9.648 1.00 43.54 H new ATOM 0 HG21 THR A 118 -26.934 6.095 11.567 1.00 51.43 H new ATOM 0 HG22 THR A 118 -26.929 4.455 12.258 1.00 51.43 H new ATOM 0 HG23 THR A 118 -26.140 4.763 10.693 1.00 51.43 H new ATOM 1944 N SER A 119 -29.755 3.254 8.273 1.00 4.10 N ATOM 1945 CA SER A 119 -30.965 3.051 7.486 1.00 35.34 C ATOM 1946 C SER A 119 -31.287 1.565 7.358 1.00 21.21 C ATOM 1947 O SER A 119 -32.439 1.153 7.493 1.00 54.25 O ATOM 1948 CB SER A 119 -30.807 3.672 6.097 1.00 23.51 C ATOM 1949 OG SER A 119 -31.182 5.038 6.103 1.00 34.12 O ATOM 0 H SER A 119 -28.968 3.633 7.746 1.00 4.10 H new ATOM 0 HA SER A 119 -31.790 3.541 8.003 1.00 35.34 H new ATOM 0 HB2 SER A 119 -29.772 3.577 5.769 1.00 23.51 H new ATOM 0 HB3 SER A 119 -31.420 3.127 5.380 1.00 23.51 H new ATOM 0 HG SER A 119 -31.070 5.412 5.204 1.00 34.12 H new ATOM 1955 N PHE A 120 -30.259 0.764 7.097 1.00 0.00 N ATOM 1956 CA PHE A 120 -30.430 -0.677 6.949 1.00 14.52 C ATOM 1957 C PHE A 120 -30.959 -1.297 8.239 1.00 2.45 C ATOM 1958 O PHE A 120 -31.906 -2.084 8.222 1.00 65.11 O ATOM 1959 CB PHE A 120 -29.104 -1.332 6.561 1.00 25.31 C ATOM 1960 CG PHE A 120 -29.097 -1.893 5.168 1.00 60.12 C ATOM 1961 CD1 PHE A 120 -29.157 -1.052 4.068 1.00 31.51 C ATOM 1962 CD2 PHE A 120 -29.031 -3.261 4.958 1.00 73.22 C ATOM 1963 CE1 PHE A 120 -29.151 -1.565 2.785 1.00 61.35 C ATOM 1964 CE2 PHE A 120 -29.024 -3.780 3.677 1.00 54.43 C ATOM 1965 CZ PHE A 120 -29.085 -2.931 2.589 1.00 55.22 C ATOM 0 H PHE A 120 -29.299 1.088 6.984 1.00 0.00 H new ATOM 0 HA PHE A 120 -31.158 -0.852 6.157 1.00 14.52 H new ATOM 0 HB2 PHE A 120 -28.305 -0.597 6.652 1.00 25.31 H new ATOM 0 HB3 PHE A 120 -28.883 -2.132 7.267 1.00 25.31 H new ATOM 0 HD1 PHE A 120 -29.209 0.017 4.215 1.00 31.51 H new ATOM 0 HD2 PHE A 120 -28.984 -3.929 5.805 1.00 73.22 H new ATOM 0 HE1 PHE A 120 -29.198 -0.899 1.936 1.00 61.35 H new ATOM 0 HE2 PHE A 120 -28.971 -4.848 3.527 1.00 54.43 H new ATOM 0 HZ PHE A 120 -29.081 -3.334 1.587 1.00 55.22 H new ATOM 1975 N THR A 121 -30.340 -0.936 9.359 1.00 24.03 N ATOM 1976 CA THR A 121 -30.745 -1.457 10.659 1.00 61.14 C ATOM 1977 C THR A 121 -32.123 -0.939 11.053 1.00 11.33 C ATOM 1978 O THR A 121 -32.944 -1.681 11.593 1.00 45.44 O ATOM 1979 CB THR A 121 -29.733 -1.079 11.756 1.00 2.53 C ATOM 1980 OG1 THR A 121 -29.690 0.344 11.913 1.00 3.14 O ATOM 1981 CG2 THR A 121 -28.345 -1.599 11.415 1.00 4.50 C ATOM 0 H THR A 121 -29.556 -0.284 9.392 1.00 24.03 H new ATOM 0 HA THR A 121 -30.781 -2.543 10.568 1.00 61.14 H new ATOM 0 HB THR A 121 -30.055 -1.538 12.691 1.00 2.53 H new ATOM 0 HG1 THR A 121 -29.201 0.741 11.163 1.00 3.14 H new ATOM 0 HG21 THR A 121 -27.648 -1.320 12.205 1.00 4.50 H new ATOM 0 HG22 THR A 121 -28.375 -2.685 11.325 1.00 4.50 H new ATOM 0 HG23 THR A 121 -28.016 -1.166 10.470 1.00 4.50 H new ATOM 1989 N GLN A 122 -32.370 0.338 10.780 1.00 13.43 N ATOM 1990 CA GLN A 122 -33.650 0.955 11.108 1.00 54.04 C ATOM 1991 C GLN A 122 -34.783 0.314 10.312 1.00 3.01 C ATOM 1992 O GLN A 122 -35.814 -0.056 10.872 1.00 54.54 O ATOM 1993 CB GLN A 122 -33.602 2.458 10.829 1.00 55.35 C ATOM 1994 CG GLN A 122 -34.751 3.231 11.457 1.00 21.33 C ATOM 1995 CD GLN A 122 -34.787 4.682 11.019 1.00 34.43 C ATOM 1996 OE1 GLN A 122 -34.045 5.091 10.126 1.00 12.32 O ATOM 1997 NE2 GLN A 122 -35.654 5.468 11.647 1.00 3.21 N ATOM 0 H GLN A 122 -31.701 0.965 10.333 1.00 13.43 H new ATOM 0 HA GLN A 122 -33.840 0.796 12.169 1.00 54.04 H new ATOM 0 HB2 GLN A 122 -32.659 2.858 11.202 1.00 55.35 H new ATOM 0 HB3 GLN A 122 -33.613 2.619 9.751 1.00 55.35 H new ATOM 0 HG2 GLN A 122 -35.694 2.752 11.192 1.00 21.33 H new ATOM 0 HG3 GLN A 122 -34.664 3.185 12.543 1.00 21.33 H new ATOM 0 HE21 GLN A 122 -36.250 5.086 12.382 1.00 3.21 H new ATOM 0 HE22 GLN A 122 -35.724 6.454 11.395 1.00 3.21 H new ATOM 2006 N GLU A 123 -34.582 0.186 9.004 1.00 0.12 N ATOM 2007 CA GLU A 123 -35.588 -0.409 8.132 1.00 23.43 C ATOM 2008 C GLU A 123 -35.860 -1.858 8.526 1.00 63.51 C ATOM 2009 O GLU A 123 -37.010 -2.261 8.701 1.00 20.12 O ATOM 2010 CB GLU A 123 -35.133 -0.343 6.673 1.00 54.43 C ATOM 2011 CG GLU A 123 -34.414 -1.595 6.201 1.00 35.30 C ATOM 2012 CD GLU A 123 -34.104 -1.566 4.717 1.00 3.12 C ATOM 2013 OE1 GLU A 123 -33.753 -0.481 4.207 1.00 62.34 O ATOM 2014 OE2 GLU A 123 -34.211 -2.626 4.067 1.00 74.24 O ATOM 0 H GLU A 123 -33.733 0.486 8.525 1.00 0.12 H new ATOM 0 HA GLU A 123 -36.511 0.160 8.243 1.00 23.43 H new ATOM 0 HB2 GLU A 123 -36.002 -0.173 6.038 1.00 54.43 H new ATOM 0 HB3 GLU A 123 -34.472 0.515 6.546 1.00 54.43 H new ATOM 0 HG2 GLU A 123 -33.485 -1.709 6.760 1.00 35.30 H new ATOM 0 HG3 GLU A 123 -35.028 -2.468 6.423 1.00 35.30 H new ATOM 2021 N LYS A 124 -34.793 -2.638 8.663 1.00 62.43 N ATOM 2022 CA LYS A 124 -34.914 -4.043 9.036 1.00 3.31 C ATOM 2023 C LYS A 124 -35.467 -4.184 10.450 1.00 14.13 C ATOM 2024 O LYS A 124 -36.251 -5.091 10.734 1.00 63.34 O ATOM 2025 CB LYS A 124 -33.553 -4.737 8.938 1.00 54.22 C ATOM 2026 CG LYS A 124 -33.596 -6.055 8.185 1.00 33.53 C ATOM 2027 CD LYS A 124 -33.785 -5.840 6.693 1.00 34.11 C ATOM 2028 CE LYS A 124 -32.743 -4.886 6.131 1.00 4.01 C ATOM 2029 NZ LYS A 124 -32.330 -5.265 4.751 1.00 34.13 N ATOM 0 H LYS A 124 -33.834 -2.321 8.521 1.00 62.43 H new ATOM 0 HA LYS A 124 -35.608 -4.519 8.344 1.00 3.31 H new ATOM 0 HB2 LYS A 124 -32.848 -4.068 8.444 1.00 54.22 H new ATOM 0 HB3 LYS A 124 -33.172 -4.915 9.944 1.00 54.22 H new ATOM 0 HG2 LYS A 124 -32.671 -6.605 8.360 1.00 33.53 H new ATOM 0 HG3 LYS A 124 -34.410 -6.669 8.571 1.00 33.53 H new ATOM 0 HD2 LYS A 124 -33.720 -6.797 6.175 1.00 34.11 H new ATOM 0 HD3 LYS A 124 -34.782 -5.443 6.505 1.00 34.11 H new ATOM 0 HE2 LYS A 124 -33.145 -3.873 6.124 1.00 4.01 H new ATOM 0 HE3 LYS A 124 -31.869 -4.878 6.782 1.00 4.01 H new ATOM 0 HZ1 LYS A 124 -31.619 -4.590 4.404 1.00 34.13 H new ATOM 0 HZ2 LYS A 124 -31.923 -6.222 4.761 1.00 34.13 H new ATOM 0 HZ3 LYS A 124 -33.159 -5.248 4.123 1.00 34.13 H new ATOM 2043 N LEU A 125 -35.057 -3.281 11.334 1.00 31.02 N ATOM 2044 CA LEU A 125 -35.514 -3.304 12.720 1.00 64.05 C ATOM 2045 C LEU A 125 -37.016 -3.055 12.802 1.00 51.10 C ATOM 2046 O LEU A 125 -37.748 -3.819 13.431 1.00 14.44 O ATOM 2047 CB LEU A 125 -34.765 -2.253 13.541 1.00 20.23 C ATOM 2048 CG LEU A 125 -35.392 -1.881 14.885 1.00 2.24 C ATOM 2049 CD1 LEU A 125 -34.747 -2.672 16.013 1.00 71.54 C ATOM 2050 CD2 LEU A 125 -35.262 -0.386 15.139 1.00 45.03 C ATOM 0 H LEU A 125 -34.409 -2.524 11.116 1.00 31.02 H new ATOM 0 HA LEU A 125 -35.306 -4.292 13.130 1.00 64.05 H new ATOM 0 HB2 LEU A 125 -33.753 -2.616 13.722 1.00 20.23 H new ATOM 0 HB3 LEU A 125 -34.676 -1.347 12.941 1.00 20.23 H new ATOM 0 HG LEU A 125 -36.452 -2.133 14.851 1.00 2.24 H new ATOM 0 HD11 LEU A 125 -35.206 -2.394 16.962 1.00 71.54 H new ATOM 0 HD12 LEU A 125 -34.892 -3.738 15.839 1.00 71.54 H new ATOM 0 HD13 LEU A 125 -33.680 -2.452 16.048 1.00 71.54 H new ATOM 0 HD21 LEU A 125 -35.714 -0.140 16.100 1.00 45.03 H new ATOM 0 HD22 LEU A 125 -34.208 -0.109 15.152 1.00 45.03 H new ATOM 0 HD23 LEU A 125 -35.771 0.163 14.347 1.00 45.03 H new ATOM 2062 N ASP A 126 -37.469 -1.983 12.161 1.00 62.22 N ATOM 2063 CA ASP A 126 -38.885 -1.635 12.159 1.00 41.04 C ATOM 2064 C ASP A 126 -39.726 -2.782 11.607 1.00 22.22 C ATOM 2065 O ASP A 126 -40.759 -3.135 12.175 1.00 24.42 O ATOM 2066 CB ASP A 126 -39.120 -0.370 11.331 1.00 62.41 C ATOM 2067 CG ASP A 126 -40.447 -0.396 10.598 1.00 22.22 C ATOM 2068 OD1 ASP A 126 -40.546 -1.104 9.574 1.00 44.34 O ATOM 2069 OD2 ASP A 126 -41.387 0.290 11.050 1.00 42.42 O ATOM 0 H ASP A 126 -36.876 -1.340 11.636 1.00 62.22 H new ATOM 0 HA ASP A 126 -39.189 -1.448 13.189 1.00 41.04 H new ATOM 0 HB2 ASP A 126 -39.087 0.501 11.986 1.00 62.41 H new ATOM 0 HB3 ASP A 126 -38.311 -0.257 10.609 1.00 62.41 H new ATOM 2074 N GLU A 127 -39.276 -3.359 10.497 1.00 40.51 N ATOM 2075 CA GLU A 127 -39.989 -4.464 9.868 1.00 21.54 C ATOM 2076 C GLU A 127 -40.079 -5.660 10.812 1.00 32.13 C ATOM 2077 O GLU A 127 -41.025 -6.445 10.749 1.00 73.42 O ATOM 2078 CB GLU A 127 -39.292 -4.877 8.570 1.00 33.31 C ATOM 2079 CG GLU A 127 -38.338 -6.048 8.737 1.00 74.22 C ATOM 2080 CD GLU A 127 -39.000 -7.384 8.458 1.00 42.24 C ATOM 2081 OE1 GLU A 127 -39.987 -7.409 7.694 1.00 72.42 O ATOM 2082 OE2 GLU A 127 -38.529 -8.404 9.003 1.00 10.23 O ATOM 0 H GLU A 127 -38.421 -3.079 10.015 1.00 40.51 H new ATOM 0 HA GLU A 127 -41.000 -4.127 9.638 1.00 21.54 H new ATOM 0 HB2 GLU A 127 -40.048 -5.138 7.829 1.00 33.31 H new ATOM 0 HB3 GLU A 127 -38.740 -4.023 8.176 1.00 33.31 H new ATOM 0 HG2 GLU A 127 -37.490 -5.920 8.065 1.00 74.22 H new ATOM 0 HG3 GLU A 127 -37.943 -6.048 9.753 1.00 74.22 H new ATOM 2089 N PHE A 128 -39.088 -5.792 11.687 1.00 3.23 N ATOM 2090 CA PHE A 128 -39.053 -6.892 12.644 1.00 53.11 C ATOM 2091 C PHE A 128 -40.267 -6.848 13.567 1.00 13.12 C ATOM 2092 O PHE A 128 -41.146 -7.706 13.494 1.00 33.21 O ATOM 2093 CB PHE A 128 -37.767 -6.837 13.471 1.00 52.31 C ATOM 2094 CG PHE A 128 -37.039 -8.149 13.535 1.00 41.31 C ATOM 2095 CD1 PHE A 128 -36.162 -8.519 12.528 1.00 31.42 C ATOM 2096 CD2 PHE A 128 -37.232 -9.012 14.602 1.00 44.33 C ATOM 2097 CE1 PHE A 128 -35.490 -9.726 12.584 1.00 0.12 C ATOM 2098 CE2 PHE A 128 -36.562 -10.219 14.663 1.00 20.24 C ATOM 2099 CZ PHE A 128 -35.691 -10.577 13.653 1.00 71.31 C ATOM 0 H PHE A 128 -38.298 -5.151 11.753 1.00 3.23 H new ATOM 0 HA PHE A 128 -39.077 -7.827 12.085 1.00 53.11 H new ATOM 0 HB2 PHE A 128 -37.104 -6.083 13.047 1.00 52.31 H new ATOM 0 HB3 PHE A 128 -38.009 -6.515 14.484 1.00 52.31 H new ATOM 0 HD1 PHE A 128 -36.002 -7.857 11.690 1.00 31.42 H new ATOM 0 HD2 PHE A 128 -37.913 -8.738 15.394 1.00 44.33 H new ATOM 0 HE1 PHE A 128 -34.809 -10.003 11.793 1.00 0.12 H new ATOM 0 HE2 PHE A 128 -36.720 -10.882 15.501 1.00 20.24 H new ATOM 0 HZ PHE A 128 -35.168 -11.521 13.699 1.00 71.31 H new