USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 869 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 92 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 118 ASN : amide:sc= -0.596 K(o=-0.6,f=-3.1!) USER MOD Set 2.1: A 21 CYS SG : rot -46:sc= -3.47 USER MOD Set 2.2: A 23 GLN : amide:sc= -0.738 K(o=-4.2,f=-6.3) USER MOD Set 3.1: A 20 SER OG : rot 10:sc= -0.243 USER MOD Set 3.2: A 121 ASN : amide:sc= -0.95 K(o=-1.2,f=-5.4!) USER MOD Set 4.1: A 17 THR OG1 : rot -168:sc= 0.0192 USER MOD Set 4.2: A 47 HIS :FLIP no HD1:sc= -0.744 F(o=-2.5!,f=-0.72) USER MOD Set 5.1: A 14 ASN : amide:sc= -6.36! C(o=-6.6!,f=-12!) USER MOD Set 5.2: A 89 LYS NZ :NH3+ 150:sc= -0.197 (180deg=0) USER MOD Single : A 7 SER OG : rot 159:sc= -4.13 USER MOD Single : A 8 TYR OH : rot 18:sc=0.000789 USER MOD Single : A 13 LYS NZ :NH3+ -124:sc= -2.07! (180deg=-5.3!) USER MOD Single : A 19 SER OG : rot -171:sc= -1.94! USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= -1.72! USER MOD Single : A 48 ASN : amide:sc= -0.301 K(o=-0.3,f=-1.6!) USER MOD Single : A 51 MET CE :methyl -160:sc= -1.02! (180deg=-3.39!) USER MOD Single : A 53 MET CE :methyl -114:sc= -0.269 (180deg=-1.99!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 155:sc= 0.541 (180deg=0.305) USER MOD Single : A 69 MET CE :methyl 167:sc= -4.35! (180deg=-4.39!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN :FLIP amide:sc=-0.00582 F(o=-0.54,f=-0.0058) USER MOD Single : A 79 CYS SG : rot 50:sc= -3.45! USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 89:sc= 0.716 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= -1.42 K(o=-1.4,f=-3.8!) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.41 USER MOD Single : A 94 CYS SG : rot 17:sc= -4.26 USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.748 USER MOD Single : A 102 LYS NZ :NH3+ -162:sc=-0.00488 (180deg=-0.118) USER MOD Single : A 110 SER OG : rot -149:sc= -1.12 USER MOD Single : A 113 GLN : amide:sc= -0.317 K(o=-0.32,f=-1.8) USER MOD Single : A 115 TYR OH : rot 165:sc= -0.811 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 120 THR OG1 : rot -176:sc= -1.29! USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 HIS :FLIP no HD1:sc= -13.3! C(o=-14!,f=-13!) USER MOD Single : A 130 GLN : amide:sc= -0.306 X(o=-0.31,f=0) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 100 N VAL A 6 3.217 -7.810 -3.147 1.00 0.00 N ATOM 101 CA VAL A 6 2.547 -7.356 -1.933 1.00 0.00 C ATOM 102 C VAL A 6 2.436 -8.505 -0.937 1.00 0.00 C ATOM 103 O VAL A 6 1.569 -9.371 -1.061 1.00 0.00 O ATOM 104 CB VAL A 6 1.148 -6.778 -2.218 1.00 0.00 C ATOM 105 CG1 VAL A 6 0.655 -5.984 -1.022 1.00 0.00 C ATOM 106 CG2 VAL A 6 1.162 -5.907 -3.459 1.00 0.00 C ATOM 0 HA VAL A 6 3.153 -6.555 -1.510 1.00 0.00 H new ATOM 0 HB VAL A 6 0.466 -7.609 -2.396 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.335 -5.581 -1.236 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.601 -6.636 -0.150 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.345 -5.165 -0.820 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.162 -5.512 -3.637 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.859 -5.081 -3.316 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.476 -6.501 -4.317 1.00 0.00 H new ATOM 116 N SER A 7 3.346 -8.512 0.033 1.00 0.00 N ATOM 117 CA SER A 7 3.400 -9.559 1.053 1.00 0.00 C ATOM 118 C SER A 7 2.014 -9.976 1.545 1.00 0.00 C ATOM 119 O SER A 7 1.698 -11.165 1.577 1.00 0.00 O ATOM 120 CB SER A 7 4.253 -9.098 2.236 1.00 0.00 C ATOM 121 OG SER A 7 5.065 -7.991 1.881 1.00 0.00 O ATOM 0 H SER A 7 4.065 -7.796 0.136 1.00 0.00 H new ATOM 0 HA SER A 7 3.853 -10.433 0.586 1.00 0.00 H new ATOM 0 HB2 SER A 7 3.606 -8.826 3.070 1.00 0.00 H new ATOM 0 HB3 SER A 7 4.883 -9.920 2.576 1.00 0.00 H new ATOM 0 HG SER A 7 5.334 -7.510 2.691 1.00 0.00 H new ATOM 127 N TYR A 8 1.195 -9.008 1.939 1.00 0.00 N ATOM 128 CA TYR A 8 -0.140 -9.313 2.436 1.00 0.00 C ATOM 129 C TYR A 8 -1.121 -8.197 2.116 1.00 0.00 C ATOM 130 O TYR A 8 -0.944 -7.062 2.545 1.00 0.00 O ATOM 131 CB TYR A 8 -0.099 -9.554 3.941 1.00 0.00 C ATOM 132 CG TYR A 8 1.048 -10.432 4.393 1.00 0.00 C ATOM 133 CD1 TYR A 8 2.260 -9.879 4.781 1.00 0.00 C ATOM 134 CD2 TYR A 8 0.916 -11.814 4.436 1.00 0.00 C ATOM 135 CE1 TYR A 8 3.310 -10.678 5.196 1.00 0.00 C ATOM 136 CE2 TYR A 8 1.959 -12.619 4.851 1.00 0.00 C ATOM 137 CZ TYR A 8 3.153 -12.047 5.229 1.00 0.00 C ATOM 138 OH TYR A 8 4.194 -12.844 5.644 1.00 0.00 O ATOM 0 H TYR A 8 1.429 -8.015 1.924 1.00 0.00 H new ATOM 0 HA TYR A 8 -0.483 -10.218 1.934 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -0.030 -8.593 4.451 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -1.038 -10.013 4.251 1.00 0.00 H new ATOM 0 HD1 TYR A 8 2.386 -8.807 4.759 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -0.019 -12.267 4.140 1.00 0.00 H new ATOM 0 HE1 TYR A 8 4.248 -10.232 5.493 1.00 0.00 H new ATOM 0 HE2 TYR A 8 1.838 -13.692 4.879 1.00 0.00 H new ATOM 0 HH TYR A 8 4.844 -12.302 6.138 1.00 0.00 H new ATOM 148 N VAL A 9 -2.164 -8.524 1.368 1.00 0.00 N ATOM 149 CA VAL A 9 -3.173 -7.525 1.009 1.00 0.00 C ATOM 150 C VAL A 9 -4.488 -7.796 1.727 1.00 0.00 C ATOM 151 O VAL A 9 -5.300 -8.597 1.269 1.00 0.00 O ATOM 152 CB VAL A 9 -3.437 -7.466 -0.511 1.00 0.00 C ATOM 153 CG1 VAL A 9 -3.898 -6.074 -0.909 1.00 0.00 C ATOM 154 CG2 VAL A 9 -2.199 -7.865 -1.304 1.00 0.00 C ATOM 0 H VAL A 9 -2.338 -9.459 0.999 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.768 -6.563 1.323 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.226 -8.181 -0.745 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.081 -6.045 -1.983 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.818 -5.829 -0.377 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.127 -5.348 -0.652 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.418 -7.813 -2.371 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.381 -7.185 -1.068 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.911 -8.883 -1.042 1.00 0.00 H new ATOM 164 N GLU A 10 -4.686 -7.130 2.861 1.00 0.00 N ATOM 165 CA GLU A 10 -5.898 -7.309 3.651 1.00 0.00 C ATOM 166 C GLU A 10 -6.897 -6.177 3.419 1.00 0.00 C ATOM 167 O GLU A 10 -6.670 -5.042 3.838 1.00 0.00 O ATOM 168 CB GLU A 10 -5.547 -7.385 5.140 1.00 0.00 C ATOM 169 CG GLU A 10 -6.054 -8.644 5.824 1.00 0.00 C ATOM 170 CD GLU A 10 -5.402 -8.881 7.173 1.00 0.00 C ATOM 171 OE1 GLU A 10 -5.721 -9.905 7.813 1.00 0.00 O ATOM 172 OE2 GLU A 10 -4.574 -8.045 7.588 1.00 0.00 O ATOM 0 H GLU A 10 -4.022 -6.462 3.253 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.364 -8.242 3.332 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.464 -7.332 5.252 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.963 -6.514 5.647 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.134 -8.572 5.955 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.868 -9.503 5.179 1.00 0.00 H new ATOM 179 N VAL A 11 -8.015 -6.501 2.777 1.00 0.00 N ATOM 180 CA VAL A 11 -9.058 -5.516 2.525 1.00 0.00 C ATOM 181 C VAL A 11 -9.924 -5.368 3.768 1.00 0.00 C ATOM 182 O VAL A 11 -9.916 -6.241 4.632 1.00 0.00 O ATOM 183 CB VAL A 11 -9.942 -5.914 1.329 1.00 0.00 C ATOM 184 CG1 VAL A 11 -10.938 -4.814 1.001 1.00 0.00 C ATOM 185 CG2 VAL A 11 -9.080 -6.235 0.119 1.00 0.00 C ATOM 0 H VAL A 11 -8.221 -7.435 2.423 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.575 -4.569 2.284 1.00 0.00 H new ATOM 0 HB VAL A 11 -10.505 -6.807 1.601 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.551 -5.119 0.153 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.578 -4.633 1.865 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -10.401 -3.900 0.750 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.719 -6.515 -0.719 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.491 -5.359 -0.151 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -8.412 -7.062 0.358 1.00 0.00 H new ATOM 195 N ILE A 12 -10.649 -4.261 3.875 1.00 0.00 N ATOM 196 CA ILE A 12 -11.483 -4.027 5.047 1.00 0.00 C ATOM 197 C ILE A 12 -12.822 -3.388 4.698 1.00 0.00 C ATOM 198 O ILE A 12 -12.874 -2.353 4.046 1.00 0.00 O ATOM 199 CB ILE A 12 -10.744 -3.120 6.052 1.00 0.00 C ATOM 200 CG1 ILE A 12 -9.598 -3.880 6.722 1.00 0.00 C ATOM 201 CG2 ILE A 12 -11.697 -2.566 7.096 1.00 0.00 C ATOM 202 CD1 ILE A 12 -8.246 -3.244 6.504 1.00 0.00 C ATOM 0 H ILE A 12 -10.677 -3.520 3.174 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.682 -5.004 5.487 1.00 0.00 H new ATOM 0 HB ILE A 12 -10.326 -2.279 5.498 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.792 -3.945 7.793 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.577 -4.901 6.340 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -11.147 -1.931 7.790 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -12.474 -1.980 6.605 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -12.156 -3.389 7.643 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -7.480 -3.835 7.007 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -8.031 -3.204 5.436 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.249 -2.233 6.912 1.00 0.00 H new ATOM 214 N LYS A 13 -13.903 -4.006 5.156 1.00 0.00 N ATOM 215 CA LYS A 13 -15.242 -3.479 4.911 1.00 0.00 C ATOM 216 C LYS A 13 -15.955 -3.145 6.223 1.00 0.00 C ATOM 217 O LYS A 13 -16.307 -4.039 6.992 1.00 0.00 O ATOM 218 CB LYS A 13 -16.077 -4.480 4.109 1.00 0.00 C ATOM 219 CG LYS A 13 -17.402 -3.913 3.621 1.00 0.00 C ATOM 220 CD LYS A 13 -17.536 -4.015 2.109 1.00 0.00 C ATOM 221 CE LYS A 13 -18.469 -5.146 1.704 1.00 0.00 C ATOM 222 NZ LYS A 13 -17.793 -6.140 0.822 1.00 0.00 N ATOM 0 H LYS A 13 -13.881 -4.870 5.698 1.00 0.00 H new ATOM 0 HA LYS A 13 -15.133 -2.561 4.333 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -15.497 -4.818 3.250 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -16.272 -5.356 4.727 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -18.224 -4.449 4.096 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -17.485 -2.869 3.924 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -17.913 -3.072 1.712 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -16.553 -4.177 1.666 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -18.840 -5.648 2.598 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -19.336 -4.733 1.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -18.329 -6.239 -0.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -16.828 -5.815 0.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -17.750 -7.060 1.305 1.00 0.00 H new ATOM 236 N ASN A 14 -16.174 -1.852 6.464 1.00 0.00 N ATOM 237 CA ASN A 14 -16.856 -1.394 7.675 1.00 0.00 C ATOM 238 C ASN A 14 -16.063 -1.725 8.938 1.00 0.00 C ATOM 239 O ASN A 14 -16.647 -2.026 9.979 1.00 0.00 O ATOM 240 CB ASN A 14 -18.247 -2.027 7.771 1.00 0.00 C ATOM 241 CG ASN A 14 -19.113 -1.722 6.564 1.00 0.00 C ATOM 242 OD1 ASN A 14 -18.699 -1.921 5.423 1.00 0.00 O ATOM 243 ND2 ASN A 14 -20.325 -1.238 6.812 1.00 0.00 N ATOM 0 H ASN A 14 -15.888 -1.102 5.835 1.00 0.00 H new ATOM 0 HA ASN A 14 -16.944 -0.310 7.604 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -18.144 -3.107 7.875 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -18.745 -1.666 8.671 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -20.953 -1.016 6.040 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -20.627 -1.089 7.775 1.00 0.00 H new ATOM 250 N GLY A 15 -14.738 -1.676 8.848 1.00 0.00 N ATOM 251 CA GLY A 15 -13.917 -1.987 10.000 1.00 0.00 C ATOM 252 C GLY A 15 -13.830 -3.476 10.233 1.00 0.00 C ATOM 253 O GLY A 15 -13.610 -3.934 11.353 1.00 0.00 O ATOM 0 H GLY A 15 -14.222 -1.428 8.004 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -12.916 -1.582 9.854 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -14.331 -1.503 10.884 1.00 0.00 H new ATOM 257 N GLU A 16 -14.002 -4.231 9.155 1.00 0.00 N ATOM 258 CA GLU A 16 -13.945 -5.680 9.215 1.00 0.00 C ATOM 259 C GLU A 16 -13.401 -6.229 7.907 1.00 0.00 C ATOM 260 O GLU A 16 -13.968 -5.995 6.840 1.00 0.00 O ATOM 261 CB GLU A 16 -15.329 -6.263 9.502 1.00 0.00 C ATOM 262 CG GLU A 16 -15.661 -6.340 10.983 1.00 0.00 C ATOM 263 CD GLU A 16 -16.780 -7.320 11.279 1.00 0.00 C ATOM 264 OE1 GLU A 16 -17.797 -7.295 10.557 1.00 0.00 O ATOM 265 OE2 GLU A 16 -16.637 -8.109 12.235 1.00 0.00 O ATOM 0 H GLU A 16 -14.183 -3.857 8.224 1.00 0.00 H new ATOM 0 HA GLU A 16 -13.279 -5.971 10.027 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -16.082 -5.655 9.001 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -15.389 -7.263 9.072 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -14.769 -6.634 11.537 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -15.946 -5.350 11.340 1.00 0.00 H new ATOM 272 N THR A 17 -12.287 -6.941 7.992 1.00 0.00 N ATOM 273 CA THR A 17 -11.647 -7.503 6.812 1.00 0.00 C ATOM 274 C THR A 17 -12.638 -8.239 5.912 1.00 0.00 C ATOM 275 O THR A 17 -13.328 -9.157 6.350 1.00 0.00 O ATOM 276 CB THR A 17 -10.524 -8.454 7.217 1.00 0.00 C ATOM 277 OG1 THR A 17 -9.795 -7.933 8.317 1.00 0.00 O ATOM 278 CG2 THR A 17 -9.543 -8.724 6.100 1.00 0.00 C ATOM 0 H THR A 17 -11.806 -7.144 8.869 1.00 0.00 H new ATOM 0 HA THR A 17 -11.237 -6.667 6.245 1.00 0.00 H new ATOM 0 HB THR A 17 -11.017 -9.390 7.481 1.00 0.00 H new ATOM 0 HG1 THR A 17 -8.974 -8.453 8.441 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.770 -9.407 6.452 1.00 0.00 H new ATOM 0 HG22 THR A 17 -10.067 -9.173 5.256 1.00 0.00 H new ATOM 0 HG23 THR A 17 -9.084 -7.787 5.785 1.00 0.00 H new ATOM 286 N ILE A 18 -12.670 -7.843 4.645 1.00 0.00 N ATOM 287 CA ILE A 18 -13.540 -8.479 3.657 1.00 0.00 C ATOM 288 C ILE A 18 -12.736 -9.467 2.836 1.00 0.00 C ATOM 289 O ILE A 18 -13.163 -10.591 2.576 1.00 0.00 O ATOM 290 CB ILE A 18 -14.180 -7.472 2.669 1.00 0.00 C ATOM 291 CG1 ILE A 18 -13.482 -6.112 2.710 1.00 0.00 C ATOM 292 CG2 ILE A 18 -15.664 -7.317 2.938 1.00 0.00 C ATOM 293 CD1 ILE A 18 -13.873 -5.210 1.559 1.00 0.00 C ATOM 0 H ILE A 18 -12.102 -7.081 4.274 1.00 0.00 H new ATOM 0 HA ILE A 18 -14.337 -8.964 4.221 1.00 0.00 H new ATOM 0 HB ILE A 18 -14.050 -7.879 1.666 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -13.721 -5.616 3.650 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -12.403 -6.263 2.695 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -16.089 -6.605 2.231 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -16.157 -8.282 2.822 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -15.813 -6.953 3.954 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -13.344 -4.261 1.645 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -13.609 -5.688 0.616 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -14.948 -5.030 1.586 1.00 0.00 H new ATOM 305 N SER A 19 -11.567 -9.008 2.420 1.00 0.00 N ATOM 306 CA SER A 19 -10.665 -9.809 1.603 1.00 0.00 C ATOM 307 C SER A 19 -9.291 -9.912 2.252 1.00 0.00 C ATOM 308 O SER A 19 -9.034 -9.293 3.284 1.00 0.00 O ATOM 309 CB SER A 19 -10.545 -9.193 0.210 1.00 0.00 C ATOM 310 OG SER A 19 -11.350 -8.036 0.097 1.00 0.00 O ATOM 0 H SER A 19 -11.216 -8.075 2.637 1.00 0.00 H new ATOM 0 HA SER A 19 -11.076 -10.815 1.518 1.00 0.00 H new ATOM 0 HB2 SER A 19 -9.504 -8.937 0.010 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.844 -9.923 -0.542 1.00 0.00 H new ATOM 0 HG SER A 19 -11.371 -7.742 -0.838 1.00 0.00 H new ATOM 316 N SER A 20 -8.409 -10.700 1.643 1.00 0.00 N ATOM 317 CA SER A 20 -7.063 -10.881 2.169 1.00 0.00 C ATOM 318 C SER A 20 -6.176 -11.635 1.186 1.00 0.00 C ATOM 319 O SER A 20 -6.575 -12.659 0.630 1.00 0.00 O ATOM 320 CB SER A 20 -7.110 -11.636 3.498 1.00 0.00 C ATOM 321 OG SER A 20 -7.554 -10.794 4.549 1.00 0.00 O ATOM 0 H SER A 20 -8.603 -11.221 0.788 1.00 0.00 H new ATOM 0 HA SER A 20 -6.636 -9.891 2.326 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.777 -12.494 3.409 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.120 -12.025 3.734 1.00 0.00 H new ATOM 0 HG SER A 20 -7.881 -9.949 4.175 1.00 0.00 H new ATOM 327 N CYS A 21 -4.962 -11.136 0.998 1.00 0.00 N ATOM 328 CA CYS A 21 -3.998 -11.771 0.107 1.00 0.00 C ATOM 329 C CYS A 21 -2.729 -12.080 0.884 1.00 0.00 C ATOM 330 O CYS A 21 -1.691 -11.453 0.679 1.00 0.00 O ATOM 331 CB CYS A 21 -3.682 -10.858 -1.081 1.00 0.00 C ATOM 332 SG CYS A 21 -2.353 -11.460 -2.155 1.00 0.00 S ATOM 0 H CYS A 21 -4.619 -10.290 1.452 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.423 -12.697 -0.280 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -4.586 -10.732 -1.677 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.409 -9.872 -0.704 1.00 0.00 H new ATOM 0 HG CYS A 21 -1.355 -11.863 -1.426 1.00 0.00 H new ATOM 338 N PHE A 22 -2.831 -13.036 1.797 1.00 0.00 N ATOM 339 CA PHE A 22 -1.704 -13.415 2.634 1.00 0.00 C ATOM 340 C PHE A 22 -1.144 -14.762 2.221 1.00 0.00 C ATOM 341 O PHE A 22 -1.691 -15.809 2.568 1.00 0.00 O ATOM 342 CB PHE A 22 -2.141 -13.433 4.103 1.00 0.00 C ATOM 343 CG PHE A 22 -2.441 -12.059 4.629 1.00 0.00 C ATOM 344 CD1 PHE A 22 -1.852 -11.598 5.797 1.00 0.00 C ATOM 345 CD2 PHE A 22 -3.297 -11.215 3.937 1.00 0.00 C ATOM 346 CE1 PHE A 22 -2.110 -10.319 6.256 1.00 0.00 C ATOM 347 CE2 PHE A 22 -3.561 -9.945 4.397 1.00 0.00 C ATOM 348 CZ PHE A 22 -2.967 -9.495 5.554 1.00 0.00 C ATOM 0 H PHE A 22 -3.685 -13.564 1.976 1.00 0.00 H new ATOM 0 HA PHE A 22 -0.910 -12.680 2.507 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -3.026 -14.060 4.208 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.355 -13.887 4.707 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.187 -12.243 6.352 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -3.762 -11.559 3.025 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -1.642 -9.965 7.163 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.234 -9.302 3.850 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.171 -8.497 5.913 1.00 0.00 H new ATOM 358 N GLN A 23 -0.049 -14.732 1.468 1.00 0.00 N ATOM 359 CA GLN A 23 0.577 -15.963 1.003 1.00 0.00 C ATOM 360 C GLN A 23 2.100 -15.859 1.030 1.00 0.00 C ATOM 361 O GLN A 23 2.673 -14.957 0.422 1.00 0.00 O ATOM 362 CB GLN A 23 0.105 -16.291 -0.415 1.00 0.00 C ATOM 363 CG GLN A 23 0.312 -15.153 -1.403 1.00 0.00 C ATOM 364 CD GLN A 23 -0.991 -14.511 -1.836 1.00 0.00 C ATOM 365 OE1 GLN A 23 -1.893 -14.300 -1.025 1.00 0.00 O ATOM 366 NE2 GLN A 23 -1.098 -14.196 -3.122 1.00 0.00 N ATOM 0 H GLN A 23 0.419 -13.876 1.169 1.00 0.00 H new ATOM 0 HA GLN A 23 0.279 -16.764 1.680 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.638 -17.172 -0.772 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -0.954 -16.548 -0.386 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.953 -14.396 -0.950 1.00 0.00 H new ATOM 0 HG3 GLN A 23 0.836 -15.530 -2.281 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -0.326 -14.388 -3.760 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -1.952 -13.762 -3.471 1.00 0.00 H new ATOM 587 N ASN A 38 9.849 -13.772 8.689 1.00 0.00 N ATOM 588 CA ASN A 38 8.679 -12.990 8.305 1.00 0.00 C ATOM 589 C ASN A 38 7.587 -13.878 7.723 1.00 0.00 C ATOM 590 O ASN A 38 6.810 -13.445 6.871 1.00 0.00 O ATOM 591 CB ASN A 38 9.063 -11.909 7.293 1.00 0.00 C ATOM 592 CG ASN A 38 10.213 -11.044 7.770 1.00 0.00 C ATOM 593 OD1 ASN A 38 10.079 -10.286 8.729 1.00 0.00 O ATOM 594 ND2 ASN A 38 11.353 -11.150 7.096 1.00 0.00 N ATOM 0 HA ASN A 38 8.291 -12.514 9.206 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.336 -12.381 6.349 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.197 -11.278 7.095 1.00 0.00 H new ATOM 0 HD21 ASN A 38 12.161 -10.590 7.368 1.00 0.00 H new ATOM 0 HD22 ASN A 38 11.421 -11.792 6.306 1.00 0.00 H new ATOM 601 N GLU A 39 7.524 -15.120 8.193 1.00 0.00 N ATOM 602 CA GLU A 39 6.514 -16.063 7.721 1.00 0.00 C ATOM 603 C GLU A 39 5.860 -16.790 8.892 1.00 0.00 C ATOM 604 O GLU A 39 5.344 -17.897 8.744 1.00 0.00 O ATOM 605 CB GLU A 39 7.115 -17.075 6.735 1.00 0.00 C ATOM 606 CG GLU A 39 8.630 -17.020 6.629 1.00 0.00 C ATOM 607 CD GLU A 39 9.231 -18.347 6.201 1.00 0.00 C ATOM 608 OE1 GLU A 39 9.617 -19.136 7.086 1.00 0.00 O ATOM 609 OE2 GLU A 39 9.313 -18.594 4.979 1.00 0.00 O ATOM 0 H GLU A 39 8.158 -15.497 8.898 1.00 0.00 H new ATOM 0 HA GLU A 39 5.749 -15.490 7.197 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.820 -18.079 7.038 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.687 -16.901 5.748 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.913 -16.249 5.913 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.048 -16.729 7.593 1.00 0.00 H new ATOM 616 N GLN A 40 5.874 -16.144 10.051 1.00 0.00 N ATOM 617 CA GLN A 40 5.271 -16.701 11.257 1.00 0.00 C ATOM 618 C GLN A 40 4.023 -15.904 11.622 1.00 0.00 C ATOM 619 O GLN A 40 3.035 -16.454 12.108 1.00 0.00 O ATOM 620 CB GLN A 40 6.271 -16.674 12.415 1.00 0.00 C ATOM 621 CG GLN A 40 7.440 -17.627 12.229 1.00 0.00 C ATOM 622 CD GLN A 40 8.659 -17.216 13.030 1.00 0.00 C ATOM 623 OE1 GLN A 40 8.641 -17.228 14.260 1.00 0.00 O ATOM 624 NE2 GLN A 40 9.728 -16.845 12.334 1.00 0.00 N ATOM 0 H GLN A 40 6.300 -15.226 10.182 1.00 0.00 H new ATOM 0 HA GLN A 40 4.992 -17.737 11.067 1.00 0.00 H new ATOM 0 HB2 GLN A 40 6.654 -15.660 12.530 1.00 0.00 H new ATOM 0 HB3 GLN A 40 5.751 -16.925 13.339 1.00 0.00 H new ATOM 0 HG2 GLN A 40 7.136 -18.631 12.526 1.00 0.00 H new ATOM 0 HG3 GLN A 40 7.703 -17.672 11.172 1.00 0.00 H new ATOM 0 HE21 GLN A 40 9.700 -16.850 11.314 1.00 0.00 H new ATOM 0 HE22 GLN A 40 10.577 -16.555 12.819 1.00 0.00 H new ATOM 633 N ILE A 41 4.085 -14.603 11.362 1.00 0.00 N ATOM 634 CA ILE A 41 2.978 -13.696 11.627 1.00 0.00 C ATOM 635 C ILE A 41 1.707 -14.168 10.926 1.00 0.00 C ATOM 636 O ILE A 41 1.732 -14.521 9.747 1.00 0.00 O ATOM 637 CB ILE A 41 3.329 -12.282 11.143 1.00 0.00 C ATOM 638 CG1 ILE A 41 4.708 -11.857 11.677 1.00 0.00 C ATOM 639 CG2 ILE A 41 2.245 -11.293 11.542 1.00 0.00 C ATOM 640 CD1 ILE A 41 4.676 -10.693 12.648 1.00 0.00 C ATOM 0 H ILE A 41 4.905 -14.148 10.961 1.00 0.00 H new ATOM 0 HA ILE A 41 2.802 -13.683 12.703 1.00 0.00 H new ATOM 0 HB ILE A 41 3.382 -12.289 10.054 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.172 -12.712 12.170 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.344 -11.592 10.833 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.513 -10.297 11.189 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.297 -11.593 11.096 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.147 -11.279 12.627 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.691 -10.462 12.973 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.245 -9.821 12.156 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.070 -10.958 13.514 1.00 0.00 H new ATOM 652 N THR A 42 0.597 -14.167 11.657 1.00 0.00 N ATOM 653 CA THR A 42 -0.685 -14.590 11.104 1.00 0.00 C ATOM 654 C THR A 42 -1.446 -13.393 10.552 1.00 0.00 C ATOM 655 O THR A 42 -1.297 -12.277 11.050 1.00 0.00 O ATOM 656 CB THR A 42 -1.535 -15.283 12.179 1.00 0.00 C ATOM 657 OG1 THR A 42 -2.814 -15.614 11.672 1.00 0.00 O ATOM 658 CG2 THR A 42 -1.745 -14.444 13.418 1.00 0.00 C ATOM 0 H THR A 42 0.559 -13.878 12.634 1.00 0.00 H new ATOM 0 HA THR A 42 -0.488 -15.295 10.296 1.00 0.00 H new ATOM 0 HB THR A 42 -0.971 -16.174 12.454 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.339 -16.056 12.372 1.00 0.00 H new ATOM 0 HG21 THR A 42 -2.354 -14.997 14.133 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.780 -14.211 13.867 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.253 -13.518 13.149 1.00 0.00 H new ATOM 666 N PRO A 43 -2.293 -13.599 9.528 1.00 0.00 N ATOM 667 CA PRO A 43 -3.088 -12.514 8.950 1.00 0.00 C ATOM 668 C PRO A 43 -3.777 -11.699 10.039 1.00 0.00 C ATOM 669 O PRO A 43 -4.091 -10.527 9.852 1.00 0.00 O ATOM 670 CB PRO A 43 -4.115 -13.249 8.089 1.00 0.00 C ATOM 671 CG PRO A 43 -3.441 -14.523 7.708 1.00 0.00 C ATOM 672 CD PRO A 43 -2.561 -14.894 8.874 1.00 0.00 C ATOM 0 HA PRO A 43 -2.487 -11.802 8.385 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -5.035 -13.437 8.643 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.386 -12.665 7.209 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -4.172 -15.306 7.507 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -2.852 -14.396 6.800 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.061 -15.589 9.549 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -1.640 -15.376 8.545 1.00 0.00 H new ATOM 680 N VAL A 44 -3.980 -12.340 11.190 1.00 0.00 N ATOM 681 CA VAL A 44 -4.603 -11.721 12.351 1.00 0.00 C ATOM 682 C VAL A 44 -3.713 -10.629 12.919 1.00 0.00 C ATOM 683 O VAL A 44 -4.198 -9.605 13.391 1.00 0.00 O ATOM 684 CB VAL A 44 -4.831 -12.769 13.438 1.00 0.00 C ATOM 685 CG1 VAL A 44 -5.375 -12.151 14.712 1.00 0.00 C ATOM 686 CG2 VAL A 44 -5.734 -13.883 12.939 1.00 0.00 C ATOM 0 H VAL A 44 -3.713 -13.313 11.340 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.553 -11.290 12.034 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.861 -13.203 13.680 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.523 -12.930 15.460 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.666 -11.415 15.091 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.327 -11.664 14.502 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.880 -14.616 13.732 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.698 -13.467 12.647 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.273 -14.367 12.078 1.00 0.00 H new ATOM 696 N ILE A 45 -2.408 -10.854 12.868 1.00 0.00 N ATOM 697 CA ILE A 45 -1.454 -9.878 13.370 1.00 0.00 C ATOM 698 C ILE A 45 -1.574 -8.611 12.552 1.00 0.00 C ATOM 699 O ILE A 45 -1.586 -7.502 13.083 1.00 0.00 O ATOM 700 CB ILE A 45 -0.006 -10.386 13.283 1.00 0.00 C ATOM 701 CG1 ILE A 45 0.102 -11.840 13.734 1.00 0.00 C ATOM 702 CG2 ILE A 45 0.925 -9.498 14.092 1.00 0.00 C ATOM 703 CD1 ILE A 45 -0.257 -12.069 15.179 1.00 0.00 C ATOM 0 H ILE A 45 -1.987 -11.701 12.485 1.00 0.00 H new ATOM 0 HA ILE A 45 -1.684 -9.695 14.420 1.00 0.00 H new ATOM 0 HB ILE A 45 0.300 -10.341 12.238 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.549 -12.451 13.109 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.122 -12.186 13.566 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.945 -9.876 14.017 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.885 -8.480 13.704 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.614 -9.500 15.137 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.153 -13.128 15.416 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.409 -11.488 15.816 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.287 -11.758 15.352 1.00 0.00 H new ATOM 715 N PHE A 46 -1.694 -8.803 11.249 1.00 0.00 N ATOM 716 CA PHE A 46 -1.851 -7.700 10.329 1.00 0.00 C ATOM 717 C PHE A 46 -3.283 -7.195 10.396 1.00 0.00 C ATOM 718 O PHE A 46 -3.528 -5.992 10.343 1.00 0.00 O ATOM 719 CB PHE A 46 -1.518 -8.139 8.903 1.00 0.00 C ATOM 720 CG PHE A 46 -0.230 -8.907 8.786 1.00 0.00 C ATOM 721 CD1 PHE A 46 -0.197 -10.272 9.031 1.00 0.00 C ATOM 722 CD2 PHE A 46 0.941 -8.269 8.418 1.00 0.00 C ATOM 723 CE1 PHE A 46 0.982 -10.983 8.910 1.00 0.00 C ATOM 724 CE2 PHE A 46 2.124 -8.974 8.298 1.00 0.00 C ATOM 725 CZ PHE A 46 2.144 -10.333 8.545 1.00 0.00 C ATOM 0 H PHE A 46 -1.685 -9.722 10.806 1.00 0.00 H new ATOM 0 HA PHE A 46 -1.166 -6.900 10.610 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -2.333 -8.756 8.524 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.463 -7.257 8.265 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.103 -10.785 9.319 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.931 -7.207 8.222 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.994 -12.046 9.101 1.00 0.00 H new ATOM 0 HE2 PHE A 46 3.031 -8.463 8.012 1.00 0.00 H new ATOM 0 HZ PHE A 46 3.067 -10.886 8.453 1.00 0.00 H new ATOM 735 N HIS A 47 -4.229 -8.125 10.533 1.00 0.00 N ATOM 736 CA HIS A 47 -5.639 -7.767 10.619 1.00 0.00 C ATOM 737 C HIS A 47 -5.901 -6.982 11.898 1.00 0.00 C ATOM 738 O HIS A 47 -6.763 -6.106 11.937 1.00 0.00 O ATOM 739 CB HIS A 47 -6.516 -9.032 10.549 1.00 0.00 C ATOM 740 CG HIS A 47 -7.616 -9.093 11.570 1.00 0.00 C ATOM 741 ND1 HIS A 47 -7.566 -9.068 12.920 1.00 0.00 N flip ATOM 742 CD2 HIS A 47 -8.950 -9.207 11.241 1.00 0.00 C flip ATOM 743 CE1 HIS A 47 -8.856 -9.164 13.381 1.00 0.00 C flip ATOM 744 NE2 HIS A 47 -9.673 -9.246 12.346 1.00 0.00 N flip ATOM 0 H HIS A 47 -4.042 -9.126 10.586 1.00 0.00 H new ATOM 0 HA HIS A 47 -5.900 -7.132 9.772 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -6.958 -9.096 9.555 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -5.877 -9.907 10.671 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -9.343 -9.257 10.236 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -9.154 -9.171 14.419 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -10.689 -9.326 12.392 1.00 0.00 H new ATOM 753 N ASN A 48 -5.134 -7.291 12.935 1.00 0.00 N ATOM 754 CA ASN A 48 -5.268 -6.612 14.213 1.00 0.00 C ATOM 755 C ASN A 48 -4.413 -5.360 14.207 1.00 0.00 C ATOM 756 O ASN A 48 -4.743 -4.368 14.847 1.00 0.00 O ATOM 757 CB ASN A 48 -4.863 -7.533 15.365 1.00 0.00 C ATOM 758 CG ASN A 48 -5.523 -7.148 16.674 1.00 0.00 C ATOM 759 OD1 ASN A 48 -5.554 -5.975 17.045 1.00 0.00 O ATOM 760 ND2 ASN A 48 -6.055 -8.138 17.383 1.00 0.00 N ATOM 0 H ASN A 48 -4.411 -8.010 12.914 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.312 -6.336 14.361 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.129 -8.560 15.116 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.780 -7.505 15.485 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -6.512 -7.940 18.273 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -6.006 -9.096 17.037 1.00 0.00 H new ATOM 767 N LEU A 49 -3.330 -5.405 13.438 1.00 0.00 N ATOM 768 CA LEU A 49 -2.453 -4.258 13.296 1.00 0.00 C ATOM 769 C LEU A 49 -3.268 -3.134 12.695 1.00 0.00 C ATOM 770 O LEU A 49 -3.470 -2.082 13.296 1.00 0.00 O ATOM 771 CB LEU A 49 -1.294 -4.606 12.362 1.00 0.00 C ATOM 772 CG LEU A 49 0.043 -4.851 13.041 1.00 0.00 C ATOM 773 CD1 LEU A 49 1.152 -4.874 12.007 1.00 0.00 C ATOM 774 CD2 LEU A 49 0.302 -3.781 14.084 1.00 0.00 C ATOM 0 H LEU A 49 -3.042 -6.226 12.905 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.044 -3.966 14.263 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.562 -5.497 11.795 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.174 -3.795 11.643 1.00 0.00 H new ATOM 0 HG LEU A 49 0.018 -5.819 13.542 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.107 -5.050 12.502 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.963 -5.672 11.288 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.184 -3.917 11.486 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.263 -3.966 14.564 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.319 -2.802 13.605 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.489 -3.804 14.834 1.00 0.00 H new ATOM 786 N ILE A 50 -3.769 -3.424 11.511 1.00 0.00 N ATOM 787 CA ILE A 50 -4.631 -2.514 10.770 1.00 0.00 C ATOM 788 C ILE A 50 -5.758 -2.022 11.669 1.00 0.00 C ATOM 789 O ILE A 50 -5.891 -0.835 11.956 1.00 0.00 O ATOM 790 CB ILE A 50 -5.284 -3.249 9.580 1.00 0.00 C ATOM 791 CG1 ILE A 50 -4.247 -3.927 8.700 1.00 0.00 C ATOM 792 CG2 ILE A 50 -6.158 -2.314 8.755 1.00 0.00 C ATOM 793 CD1 ILE A 50 -4.744 -5.248 8.158 1.00 0.00 C ATOM 0 H ILE A 50 -3.590 -4.305 11.029 1.00 0.00 H new ATOM 0 HA ILE A 50 -4.021 -1.682 10.419 1.00 0.00 H new ATOM 0 HB ILE A 50 -5.924 -4.024 10.001 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.988 -3.269 7.871 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.335 -4.090 9.274 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.601 -2.867 7.926 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.950 -1.907 9.384 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.550 -1.498 8.363 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.972 -5.699 7.534 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.978 -5.917 8.987 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.641 -5.082 7.562 1.00 0.00 H new ATOM 805 N MET A 51 -6.570 -2.983 12.083 1.00 0.00 N ATOM 806 CA MET A 51 -7.726 -2.751 12.933 1.00 0.00 C ATOM 807 C MET A 51 -7.385 -1.988 14.217 1.00 0.00 C ATOM 808 O MET A 51 -8.178 -1.174 14.689 1.00 0.00 O ATOM 809 CB MET A 51 -8.335 -4.113 13.272 1.00 0.00 C ATOM 810 CG MET A 51 -9.790 -4.046 13.714 1.00 0.00 C ATOM 811 SD MET A 51 -10.808 -5.335 12.963 1.00 0.00 S ATOM 812 CE MET A 51 -10.144 -5.376 11.300 1.00 0.00 C ATOM 0 H MET A 51 -6.441 -3.963 11.833 1.00 0.00 H new ATOM 0 HA MET A 51 -8.433 -2.122 12.392 1.00 0.00 H new ATOM 0 HB2 MET A 51 -8.260 -4.761 12.399 1.00 0.00 H new ATOM 0 HB3 MET A 51 -7.746 -4.576 14.064 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.840 -4.136 14.799 1.00 0.00 H new ATOM 0 HG3 MET A 51 -10.199 -3.069 13.456 1.00 0.00 H new ATOM 0 HE1 MET A 51 -10.868 -5.840 10.630 1.00 0.00 H new ATOM 0 HE2 MET A 51 -9.939 -4.359 10.965 1.00 0.00 H new ATOM 0 HE3 MET A 51 -9.220 -5.954 11.291 1.00 0.00 H new ATOM 822 N ASP A 52 -6.224 -2.274 14.797 1.00 0.00 N ATOM 823 CA ASP A 52 -5.810 -1.632 16.047 1.00 0.00 C ATOM 824 C ASP A 52 -4.997 -0.354 15.829 1.00 0.00 C ATOM 825 O ASP A 52 -4.928 0.497 16.717 1.00 0.00 O ATOM 826 CB ASP A 52 -4.998 -2.611 16.897 1.00 0.00 C ATOM 827 CG ASP A 52 -4.884 -2.166 18.342 1.00 0.00 C ATOM 828 OD1 ASP A 52 -4.057 -1.276 18.625 1.00 0.00 O ATOM 829 OD2 ASP A 52 -5.625 -2.707 19.190 1.00 0.00 O ATOM 0 H ASP A 52 -5.552 -2.945 14.425 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.726 -1.346 16.564 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.465 -3.595 16.859 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.000 -2.715 16.472 1.00 0.00 H new ATOM 834 N MET A 53 -4.359 -0.227 14.673 1.00 0.00 N ATOM 835 CA MET A 53 -3.530 0.948 14.390 1.00 0.00 C ATOM 836 C MET A 53 -4.063 1.757 13.214 1.00 0.00 C ATOM 837 O MET A 53 -4.337 2.949 13.342 1.00 0.00 O ATOM 838 CB MET A 53 -2.091 0.516 14.107 1.00 0.00 C ATOM 839 CG MET A 53 -1.506 -0.396 15.173 1.00 0.00 C ATOM 840 SD MET A 53 -1.134 0.479 16.706 1.00 0.00 S ATOM 841 CE MET A 53 0.318 1.410 16.223 1.00 0.00 C ATOM 0 H MET A 53 -4.396 -0.913 13.919 1.00 0.00 H new ATOM 0 HA MET A 53 -3.560 1.587 15.272 1.00 0.00 H new ATOM 0 HB2 MET A 53 -2.057 0.004 13.145 1.00 0.00 H new ATOM 0 HB3 MET A 53 -1.465 1.404 14.018 1.00 0.00 H new ATOM 0 HG2 MET A 53 -2.208 -1.203 15.381 1.00 0.00 H new ATOM 0 HG3 MET A 53 -0.595 -0.857 14.792 1.00 0.00 H new ATOM 0 HE1 MET A 53 1.183 1.052 16.782 1.00 0.00 H new ATOM 0 HE2 MET A 53 0.496 1.279 15.156 1.00 0.00 H new ATOM 0 HE3 MET A 53 0.160 2.467 16.437 1.00 0.00 H new ATOM 851 N VAL A 54 -4.197 1.107 12.066 1.00 0.00 N ATOM 852 CA VAL A 54 -4.682 1.770 10.863 1.00 0.00 C ATOM 853 C VAL A 54 -6.117 2.267 11.026 1.00 0.00 C ATOM 854 O VAL A 54 -6.378 3.466 10.959 1.00 0.00 O ATOM 855 CB VAL A 54 -4.617 0.822 9.648 1.00 0.00 C ATOM 856 CG1 VAL A 54 -5.332 1.421 8.448 1.00 0.00 C ATOM 857 CG2 VAL A 54 -3.173 0.489 9.303 1.00 0.00 C ATOM 0 H VAL A 54 -3.976 0.119 11.942 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.031 2.628 10.696 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.128 -0.103 9.916 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.270 0.731 7.606 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.378 1.596 8.698 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.861 2.366 8.178 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.149 -0.181 8.443 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.635 1.406 9.063 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.698 0.002 10.155 1.00 0.00 H new ATOM 867 N LEU A 55 -7.042 1.332 11.209 1.00 0.00 N ATOM 868 CA LEU A 55 -8.459 1.662 11.345 1.00 0.00 C ATOM 869 C LEU A 55 -8.697 2.851 12.271 1.00 0.00 C ATOM 870 O LEU A 55 -9.352 3.820 11.883 1.00 0.00 O ATOM 871 CB LEU A 55 -9.241 0.442 11.812 1.00 0.00 C ATOM 872 CG LEU A 55 -9.638 -0.506 10.685 1.00 0.00 C ATOM 873 CD1 LEU A 55 -10.807 0.049 9.901 1.00 0.00 C ATOM 874 CD2 LEU A 55 -8.459 -0.767 9.765 1.00 0.00 C ATOM 0 H LEU A 55 -6.837 0.335 11.267 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.819 1.959 10.360 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.641 -0.105 12.540 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.142 0.775 12.327 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.944 -1.452 11.131 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -11.072 -0.644 9.103 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.661 0.181 10.565 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.531 1.011 9.469 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.763 -1.445 8.968 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.121 0.174 9.331 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.646 -1.217 10.334 1.00 0.00 H new ATOM 886 N PRO A 56 -8.169 2.815 13.507 1.00 0.00 N ATOM 887 CA PRO A 56 -8.336 3.913 14.459 1.00 0.00 C ATOM 888 C PRO A 56 -7.580 5.172 14.035 1.00 0.00 C ATOM 889 O PRO A 56 -7.553 6.161 14.769 1.00 0.00 O ATOM 890 CB PRO A 56 -7.754 3.358 15.770 1.00 0.00 C ATOM 891 CG PRO A 56 -7.599 1.891 15.547 1.00 0.00 C ATOM 892 CD PRO A 56 -7.373 1.723 14.074 1.00 0.00 C ATOM 0 HA PRO A 56 -9.380 4.217 14.539 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -6.796 3.823 16.002 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -8.418 3.559 16.611 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.760 1.495 16.119 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -8.488 1.350 15.870 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.319 1.811 13.812 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -7.710 0.749 13.720 1.00 0.00 H new ATOM 900 N LYS A 57 -6.970 5.139 12.848 1.00 0.00 N ATOM 901 CA LYS A 57 -6.225 6.287 12.347 1.00 0.00 C ATOM 902 C LYS A 57 -6.260 6.325 10.825 1.00 0.00 C ATOM 903 O LYS A 57 -5.369 6.882 10.184 1.00 0.00 O ATOM 904 CB LYS A 57 -4.776 6.236 12.832 1.00 0.00 C ATOM 905 CG LYS A 57 -4.598 6.694 14.270 1.00 0.00 C ATOM 906 CD LYS A 57 -4.799 8.195 14.406 1.00 0.00 C ATOM 907 CE LYS A 57 -4.871 8.617 15.864 1.00 0.00 C ATOM 908 NZ LYS A 57 -4.819 10.098 16.016 1.00 0.00 N ATOM 0 H LYS A 57 -6.979 4.334 12.222 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.695 7.192 12.732 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.406 5.215 12.736 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.162 6.860 12.182 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -5.309 6.171 14.910 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.600 6.427 14.617 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.979 8.719 13.914 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.716 8.488 13.895 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.792 8.239 16.307 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.045 8.166 16.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.871 10.345 17.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.928 10.457 15.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.622 10.527 15.513 1.00 0.00 H new ATOM 922 N VAL A 58 -7.297 5.723 10.251 1.00 0.00 N ATOM 923 CA VAL A 58 -7.451 5.682 8.806 1.00 0.00 C ATOM 924 C VAL A 58 -8.175 6.919 8.302 1.00 0.00 C ATOM 925 O VAL A 58 -8.780 7.661 9.073 1.00 0.00 O ATOM 926 CB VAL A 58 -8.227 4.423 8.361 1.00 0.00 C ATOM 927 CG1 VAL A 58 -9.720 4.588 8.599 1.00 0.00 C ATOM 928 CG2 VAL A 58 -7.958 4.111 6.898 1.00 0.00 C ATOM 0 H VAL A 58 -8.043 5.257 10.768 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.450 5.651 8.377 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.875 3.586 8.964 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.242 3.687 8.277 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -9.903 4.753 9.661 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -10.087 5.443 8.030 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.515 3.220 6.607 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -8.274 4.953 6.282 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.892 3.935 6.753 1.00 0.00 H new ATOM 938 N VAL A 59 -8.117 7.126 6.997 1.00 0.00 N ATOM 939 CA VAL A 59 -8.771 8.259 6.378 1.00 0.00 C ATOM 940 C VAL A 59 -9.297 7.879 5.004 1.00 0.00 C ATOM 941 O VAL A 59 -8.726 7.023 4.328 1.00 0.00 O ATOM 942 CB VAL A 59 -7.817 9.454 6.238 1.00 0.00 C ATOM 943 CG1 VAL A 59 -7.403 9.972 7.606 1.00 0.00 C ATOM 944 CG2 VAL A 59 -6.597 9.075 5.410 1.00 0.00 C ATOM 0 H VAL A 59 -7.620 6.519 6.346 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.599 8.549 7.025 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.344 10.254 5.717 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.727 10.819 7.485 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.288 10.290 8.158 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.897 9.179 8.157 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.934 9.936 5.323 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.067 8.257 5.897 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.915 8.761 4.416 1.00 0.00 H new ATOM 1052 N VAL A 66 -3.812 5.352 -1.021 1.00 0.00 N ATOM 1053 CA VAL A 66 -2.830 4.363 -0.582 1.00 0.00 C ATOM 1054 C VAL A 66 -1.726 5.027 0.237 1.00 0.00 C ATOM 1055 O VAL A 66 -0.593 5.161 -0.228 1.00 0.00 O ATOM 1056 CB VAL A 66 -2.180 3.651 -1.776 1.00 0.00 C ATOM 1057 CG1 VAL A 66 -1.454 2.392 -1.319 1.00 0.00 C ATOM 1058 CG2 VAL A 66 -3.209 3.328 -2.850 1.00 0.00 C ATOM 0 HA VAL A 66 -3.364 3.634 0.028 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.446 4.328 -2.214 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.000 1.901 -2.180 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.678 2.660 -0.602 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.165 1.713 -0.847 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.719 2.824 -3.683 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.978 2.677 -2.433 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.668 4.251 -3.204 1.00 0.00 H new ATOM 1068 N THR A 67 -2.055 5.453 1.450 1.00 0.00 N ATOM 1069 CA THR A 67 -1.079 6.109 2.310 1.00 0.00 C ATOM 1070 C THR A 67 -0.564 5.160 3.387 1.00 0.00 C ATOM 1071 O THR A 67 -1.330 4.395 3.973 1.00 0.00 O ATOM 1072 CB THR A 67 -1.689 7.362 2.950 1.00 0.00 C ATOM 1073 OG1 THR A 67 -0.676 8.257 3.365 1.00 0.00 O ATOM 1074 CG2 THR A 67 -2.558 7.066 4.153 1.00 0.00 C ATOM 0 H THR A 67 -2.985 5.357 1.859 1.00 0.00 H new ATOM 0 HA THR A 67 -0.232 6.405 1.691 1.00 0.00 H new ATOM 0 HB THR A 67 -2.314 7.802 2.173 1.00 0.00 H new ATOM 0 HG1 THR A 67 -1.086 9.050 3.769 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.955 7.999 4.553 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.383 6.418 3.856 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.963 6.567 4.918 1.00 0.00 H new ATOM 1082 N LYS A 68 0.738 5.221 3.649 1.00 0.00 N ATOM 1083 CA LYS A 68 1.347 4.373 4.663 1.00 0.00 C ATOM 1084 C LYS A 68 1.095 4.939 6.053 1.00 0.00 C ATOM 1085 O LYS A 68 1.226 6.142 6.277 1.00 0.00 O ATOM 1086 CB LYS A 68 2.851 4.229 4.419 1.00 0.00 C ATOM 1087 CG LYS A 68 3.412 2.892 4.882 1.00 0.00 C ATOM 1088 CD LYS A 68 4.925 2.943 5.038 1.00 0.00 C ATOM 1089 CE LYS A 68 5.356 2.598 6.455 1.00 0.00 C ATOM 1090 NZ LYS A 68 5.899 1.215 6.551 1.00 0.00 N ATOM 0 H LYS A 68 1.388 5.847 3.174 1.00 0.00 H new ATOM 0 HA LYS A 68 0.890 3.386 4.597 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.052 4.350 3.355 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.374 5.033 4.936 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.957 2.615 5.833 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.146 2.117 4.164 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.387 2.247 4.338 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.284 3.940 4.781 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.113 3.309 6.787 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.505 2.701 7.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.547 1.152 7.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.116 0.543 6.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.414 0.983 5.678 1.00 0.00 H new ATOM 1104 N MET A 69 0.724 4.067 6.983 1.00 0.00 N ATOM 1105 CA MET A 69 0.443 4.480 8.354 1.00 0.00 C ATOM 1106 C MET A 69 1.586 5.307 8.931 1.00 0.00 C ATOM 1107 O MET A 69 1.377 6.152 9.799 1.00 0.00 O ATOM 1108 CB MET A 69 0.192 3.254 9.232 1.00 0.00 C ATOM 1109 CG MET A 69 -1.225 3.185 9.774 1.00 0.00 C ATOM 1110 SD MET A 69 -1.288 2.779 11.528 1.00 0.00 S ATOM 1111 CE MET A 69 -2.203 4.184 12.148 1.00 0.00 C ATOM 0 H MET A 69 0.610 3.068 6.813 1.00 0.00 H new ATOM 0 HA MET A 69 -0.451 5.103 8.339 1.00 0.00 H new ATOM 0 HB2 MET A 69 0.397 2.353 8.654 1.00 0.00 H new ATOM 0 HB3 MET A 69 0.893 3.263 10.067 1.00 0.00 H new ATOM 0 HG2 MET A 69 -1.718 4.143 9.611 1.00 0.00 H new ATOM 0 HG3 MET A 69 -1.787 2.438 9.213 1.00 0.00 H new ATOM 0 HE1 MET A 69 -2.530 3.984 13.168 1.00 0.00 H new ATOM 0 HE2 MET A 69 -1.564 5.067 12.138 1.00 0.00 H new ATOM 0 HE3 MET A 69 -3.074 4.359 11.516 1.00 0.00 H new ATOM 1121 N SER A 70 2.800 5.048 8.453 1.00 0.00 N ATOM 1122 CA SER A 70 3.977 5.763 8.936 1.00 0.00 C ATOM 1123 C SER A 70 4.062 5.684 10.455 1.00 0.00 C ATOM 1124 O SER A 70 4.656 6.544 11.105 1.00 0.00 O ATOM 1125 CB SER A 70 3.941 7.223 8.482 1.00 0.00 C ATOM 1126 OG SER A 70 5.250 7.755 8.369 1.00 0.00 O ATOM 0 H SER A 70 2.994 4.351 7.734 1.00 0.00 H new ATOM 0 HA SER A 70 4.863 5.290 8.513 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.431 7.296 7.521 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.365 7.814 9.194 1.00 0.00 H new ATOM 0 HG SER A 70 5.199 8.689 8.076 1.00 0.00 H new ATOM 1132 N MET A 71 3.463 4.637 11.007 1.00 0.00 N ATOM 1133 CA MET A 71 3.460 4.415 12.447 1.00 0.00 C ATOM 1134 C MET A 71 4.330 3.212 12.811 1.00 0.00 C ATOM 1135 O MET A 71 4.527 2.912 13.987 1.00 0.00 O ATOM 1136 CB MET A 71 2.021 4.202 12.936 1.00 0.00 C ATOM 1137 CG MET A 71 1.921 3.681 14.362 1.00 0.00 C ATOM 1138 SD MET A 71 2.779 4.728 15.550 1.00 0.00 S ATOM 1139 CE MET A 71 1.570 6.028 15.790 1.00 0.00 C ATOM 0 H MET A 71 2.969 3.922 10.473 1.00 0.00 H new ATOM 0 HA MET A 71 3.877 5.295 12.938 1.00 0.00 H new ATOM 0 HB2 MET A 71 1.481 5.147 12.867 1.00 0.00 H new ATOM 0 HB3 MET A 71 1.522 3.500 12.268 1.00 0.00 H new ATOM 0 HG2 MET A 71 0.871 3.605 14.643 1.00 0.00 H new ATOM 0 HG3 MET A 71 2.336 2.674 14.406 1.00 0.00 H new ATOM 0 HE1 MET A 71 1.956 6.757 16.502 1.00 0.00 H new ATOM 0 HE2 MET A 71 1.372 6.521 14.838 1.00 0.00 H new ATOM 0 HE3 MET A 71 0.645 5.598 16.176 1.00 0.00 H new ATOM 1149 N ASN A 72 4.844 2.522 11.794 1.00 0.00 N ATOM 1150 CA ASN A 72 5.682 1.352 12.012 1.00 0.00 C ATOM 1151 C ASN A 72 4.921 0.292 12.801 1.00 0.00 C ATOM 1152 O ASN A 72 5.358 -0.145 13.866 1.00 0.00 O ATOM 1153 CB ASN A 72 6.966 1.741 12.746 1.00 0.00 C ATOM 1154 CG ASN A 72 8.176 0.979 12.239 1.00 0.00 C ATOM 1155 OD1 ASN A 72 7.988 -0.299 11.921 1.00 0.00 O flip ATOM 1156 ND2 ASN A 72 9.270 1.532 12.133 1.00 0.00 N flip ATOM 0 H ASN A 72 4.693 2.756 10.813 1.00 0.00 H new ATOM 0 HA ASN A 72 5.951 0.936 11.041 1.00 0.00 H new ATOM 0 HB2 ASN A 72 7.138 2.811 12.629 1.00 0.00 H new ATOM 0 HB3 ASN A 72 6.843 1.553 13.813 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.372 2.514 12.388 1.00 0.00 H new ATOM 0 HD22 ASN A 72 10.075 1.008 11.790 1.00 0.00 H new ATOM 1163 N LEU A 73 3.777 -0.114 12.262 1.00 0.00 N ATOM 1164 CA LEU A 73 2.936 -1.124 12.897 1.00 0.00 C ATOM 1165 C LEU A 73 3.748 -2.375 13.204 1.00 0.00 C ATOM 1166 O LEU A 73 3.700 -2.910 14.311 1.00 0.00 O ATOM 1167 CB LEU A 73 1.758 -1.476 11.987 1.00 0.00 C ATOM 1168 CG LEU A 73 0.658 -0.414 11.889 1.00 0.00 C ATOM 1169 CD1 LEU A 73 1.119 0.767 11.047 1.00 0.00 C ATOM 1170 CD2 LEU A 73 -0.609 -1.013 11.304 1.00 0.00 C ATOM 0 H LEU A 73 3.408 0.243 11.381 1.00 0.00 H new ATOM 0 HA LEU A 73 2.553 -0.718 13.833 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.141 -1.670 10.985 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.311 -2.404 12.343 1.00 0.00 H new ATOM 0 HG LEU A 73 0.443 -0.055 12.896 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.321 1.508 10.992 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.001 1.217 11.503 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.365 0.423 10.042 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.380 -0.245 11.242 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.401 -1.400 10.307 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.957 -1.824 11.943 1.00 0.00 H new ATOM 1182 N ILE A 74 4.496 -2.828 12.209 1.00 0.00 N ATOM 1183 CA ILE A 74 5.331 -4.012 12.347 1.00 0.00 C ATOM 1184 C ILE A 74 6.643 -3.829 11.590 1.00 0.00 C ATOM 1185 O ILE A 74 6.752 -2.974 10.712 1.00 0.00 O ATOM 1186 CB ILE A 74 4.595 -5.276 11.830 1.00 0.00 C ATOM 1187 CG1 ILE A 74 4.131 -6.141 13.002 1.00 0.00 C ATOM 1188 CG2 ILE A 74 5.469 -6.100 10.891 1.00 0.00 C ATOM 1189 CD1 ILE A 74 3.490 -7.442 12.566 1.00 0.00 C ATOM 0 H ILE A 74 4.542 -2.389 11.289 1.00 0.00 H new ATOM 0 HA ILE A 74 5.547 -4.148 13.407 1.00 0.00 H new ATOM 0 HB ILE A 74 3.727 -4.936 11.265 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.985 -6.361 13.643 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.418 -5.576 13.603 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.915 -6.976 10.553 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.750 -5.494 10.030 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.368 -6.421 11.418 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.183 -8.009 13.445 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.617 -7.229 11.949 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.208 -8.026 11.990 1.00 0.00 H new ATOM 1201 N ASP A 75 7.627 -4.652 11.923 1.00 0.00 N ATOM 1202 CA ASP A 75 8.919 -4.594 11.262 1.00 0.00 C ATOM 1203 C ASP A 75 9.061 -5.750 10.286 1.00 0.00 C ATOM 1204 O ASP A 75 8.682 -6.882 10.585 1.00 0.00 O ATOM 1205 CB ASP A 75 10.052 -4.629 12.285 1.00 0.00 C ATOM 1206 CG ASP A 75 11.361 -4.116 11.718 1.00 0.00 C ATOM 1207 OD1 ASP A 75 11.462 -2.898 11.465 1.00 0.00 O ATOM 1208 OD2 ASP A 75 12.286 -4.935 11.528 1.00 0.00 O ATOM 0 H ASP A 75 7.554 -5.367 12.647 1.00 0.00 H new ATOM 0 HA ASP A 75 8.981 -3.655 10.712 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.774 -4.028 13.151 1.00 0.00 H new ATOM 0 HB3 ASP A 75 10.188 -5.652 12.637 1.00 0.00 H new ATOM 1213 N GLY A 76 9.598 -5.452 9.114 1.00 0.00 N ATOM 1214 CA GLY A 76 9.772 -6.471 8.098 1.00 0.00 C ATOM 1215 C GLY A 76 8.940 -6.197 6.863 1.00 0.00 C ATOM 1216 O GLY A 76 9.347 -6.525 5.749 1.00 0.00 O ATOM 0 H GLY A 76 9.918 -4.521 8.846 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.824 -6.528 7.820 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.498 -7.442 8.510 1.00 0.00 H new ATOM 1220 N PHE A 77 7.767 -5.594 7.054 1.00 0.00 N ATOM 1221 CA PHE A 77 6.885 -5.283 5.929 1.00 0.00 C ATOM 1222 C PHE A 77 6.369 -3.847 6.012 1.00 0.00 C ATOM 1223 O PHE A 77 6.410 -3.218 7.069 1.00 0.00 O ATOM 1224 CB PHE A 77 5.694 -6.250 5.878 1.00 0.00 C ATOM 1225 CG PHE A 77 5.869 -7.491 6.701 1.00 0.00 C ATOM 1226 CD1 PHE A 77 5.793 -7.430 8.078 1.00 0.00 C ATOM 1227 CD2 PHE A 77 6.102 -8.713 6.097 1.00 0.00 C ATOM 1228 CE1 PHE A 77 5.946 -8.567 8.845 1.00 0.00 C ATOM 1229 CE2 PHE A 77 6.258 -9.855 6.856 1.00 0.00 C ATOM 1230 CZ PHE A 77 6.179 -9.784 8.234 1.00 0.00 C ATOM 0 H PHE A 77 7.408 -5.314 7.967 1.00 0.00 H new ATOM 0 HA PHE A 77 7.474 -5.395 5.018 1.00 0.00 H new ATOM 0 HB2 PHE A 77 4.801 -5.726 6.218 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.519 -6.538 4.841 1.00 0.00 H new ATOM 0 HD1 PHE A 77 5.612 -6.481 8.561 1.00 0.00 H new ATOM 0 HD2 PHE A 77 6.162 -8.774 5.020 1.00 0.00 H new ATOM 0 HE1 PHE A 77 5.884 -8.506 9.921 1.00 0.00 H new ATOM 0 HE2 PHE A 77 6.442 -10.804 6.373 1.00 0.00 H new ATOM 0 HZ PHE A 77 6.299 -10.676 8.831 1.00 0.00 H new ATOM 1240 N ASP A 78 5.867 -3.346 4.887 1.00 0.00 N ATOM 1241 CA ASP A 78 5.320 -1.995 4.818 1.00 0.00 C ATOM 1242 C ASP A 78 3.793 -2.053 4.813 1.00 0.00 C ATOM 1243 O ASP A 78 3.201 -2.863 4.095 1.00 0.00 O ATOM 1244 CB ASP A 78 5.825 -1.274 3.568 1.00 0.00 C ATOM 1245 CG ASP A 78 7.196 -0.659 3.770 1.00 0.00 C ATOM 1246 OD1 ASP A 78 7.891 -0.418 2.762 1.00 0.00 O ATOM 1247 OD2 ASP A 78 7.573 -0.417 4.936 1.00 0.00 O ATOM 0 H ASP A 78 5.828 -3.859 4.006 1.00 0.00 H new ATOM 0 HA ASP A 78 5.653 -1.438 5.694 1.00 0.00 H new ATOM 0 HB2 ASP A 78 5.864 -1.978 2.737 1.00 0.00 H new ATOM 0 HB3 ASP A 78 5.117 -0.493 3.291 1.00 0.00 H new ATOM 1252 N CYS A 79 3.156 -1.211 5.630 1.00 0.00 N ATOM 1253 CA CYS A 79 1.695 -1.205 5.732 1.00 0.00 C ATOM 1254 C CYS A 79 1.070 0.132 5.331 1.00 0.00 C ATOM 1255 O CYS A 79 1.348 1.174 5.927 1.00 0.00 O ATOM 1256 CB CYS A 79 1.259 -1.565 7.156 1.00 0.00 C ATOM 1257 SG CYS A 79 2.446 -1.116 8.445 1.00 0.00 S ATOM 0 H CYS A 79 3.625 -0.529 6.227 1.00 0.00 H new ATOM 0 HA CYS A 79 1.336 -1.955 5.027 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.310 -1.072 7.367 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.078 -2.639 7.206 1.00 0.00 H new ATOM 0 HG CYS A 79 2.806 0.124 8.291 1.00 0.00 H new ATOM 1263 N PHE A 80 0.189 0.076 4.332 1.00 0.00 N ATOM 1264 CA PHE A 80 -0.529 1.253 3.849 1.00 0.00 C ATOM 1265 C PHE A 80 -2.029 0.977 3.850 1.00 0.00 C ATOM 1266 O PHE A 80 -2.452 -0.176 3.947 1.00 0.00 O ATOM 1267 CB PHE A 80 -0.085 1.638 2.432 1.00 0.00 C ATOM 1268 CG PHE A 80 1.372 1.404 2.149 1.00 0.00 C ATOM 1269 CD1 PHE A 80 2.224 2.474 1.919 1.00 0.00 C ATOM 1270 CD2 PHE A 80 1.887 0.119 2.106 1.00 0.00 C ATOM 1271 CE1 PHE A 80 3.563 2.265 1.650 1.00 0.00 C ATOM 1272 CE2 PHE A 80 3.226 -0.094 1.839 1.00 0.00 C ATOM 1273 CZ PHE A 80 4.064 0.979 1.611 1.00 0.00 C ATOM 0 H PHE A 80 -0.046 -0.784 3.837 1.00 0.00 H new ATOM 0 HA PHE A 80 -0.300 2.083 4.517 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.677 1.072 1.713 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.309 2.692 2.269 1.00 0.00 H new ATOM 0 HD1 PHE A 80 1.837 3.482 1.951 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.236 -0.724 2.283 1.00 0.00 H new ATOM 0 HE1 PHE A 80 4.216 3.106 1.471 1.00 0.00 H new ATOM 0 HE2 PHE A 80 3.617 -1.100 1.809 1.00 0.00 H new ATOM 0 HZ PHE A 80 5.111 0.813 1.402 1.00 0.00 H new ATOM 1283 N TYR A 81 -2.833 2.028 3.738 1.00 0.00 N ATOM 1284 CA TYR A 81 -4.284 1.869 3.722 1.00 0.00 C ATOM 1285 C TYR A 81 -4.932 2.781 2.685 1.00 0.00 C ATOM 1286 O TYR A 81 -4.675 3.983 2.646 1.00 0.00 O ATOM 1287 CB TYR A 81 -4.872 2.139 5.109 1.00 0.00 C ATOM 1288 CG TYR A 81 -4.472 3.471 5.706 1.00 0.00 C ATOM 1289 CD1 TYR A 81 -5.050 4.655 5.266 1.00 0.00 C ATOM 1290 CD2 TYR A 81 -3.522 3.542 6.716 1.00 0.00 C ATOM 1291 CE1 TYR A 81 -4.692 5.870 5.813 1.00 0.00 C ATOM 1292 CE2 TYR A 81 -3.158 4.757 7.267 1.00 0.00 C ATOM 1293 CZ TYR A 81 -3.745 5.917 6.813 1.00 0.00 C ATOM 1294 OH TYR A 81 -3.387 7.126 7.361 1.00 0.00 O ATOM 0 H TYR A 81 -2.509 2.992 3.658 1.00 0.00 H new ATOM 0 HA TYR A 81 -4.500 0.837 3.445 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -5.959 2.095 5.045 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -4.560 1.343 5.785 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -5.792 4.624 4.482 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -3.060 2.635 7.077 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -5.152 6.781 5.459 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -2.416 4.796 8.051 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.709 6.983 8.054 1.00 0.00 H new ATOM 1304 N SER A 82 -5.777 2.190 1.845 1.00 0.00 N ATOM 1305 CA SER A 82 -6.473 2.932 0.800 1.00 0.00 C ATOM 1306 C SER A 82 -7.968 2.632 0.834 1.00 0.00 C ATOM 1307 O SER A 82 -8.389 1.513 0.548 1.00 0.00 O ATOM 1308 CB SER A 82 -5.906 2.570 -0.574 1.00 0.00 C ATOM 1309 OG SER A 82 -6.223 3.565 -1.533 1.00 0.00 O ATOM 0 H SER A 82 -5.997 1.194 1.869 1.00 0.00 H new ATOM 0 HA SER A 82 -6.323 3.997 0.980 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.824 2.457 -0.506 1.00 0.00 H new ATOM 0 HB3 SER A 82 -6.308 1.609 -0.895 1.00 0.00 H new ATOM 0 HG SER A 82 -5.527 4.255 -1.531 1.00 0.00 H new ATOM 1315 N THR A 83 -8.772 3.629 1.192 1.00 0.00 N ATOM 1316 CA THR A 83 -10.217 3.450 1.257 1.00 0.00 C ATOM 1317 C THR A 83 -10.829 3.401 -0.138 1.00 0.00 C ATOM 1318 O THR A 83 -10.253 3.909 -1.100 1.00 0.00 O ATOM 1319 CB THR A 83 -10.865 4.566 2.070 1.00 0.00 C ATOM 1320 OG1 THR A 83 -10.783 5.802 1.384 1.00 0.00 O ATOM 1321 CG2 THR A 83 -10.243 4.751 3.436 1.00 0.00 C ATOM 0 H THR A 83 -8.449 4.564 1.440 1.00 0.00 H new ATOM 0 HA THR A 83 -10.408 2.498 1.751 1.00 0.00 H new ATOM 0 HB THR A 83 -11.903 4.260 2.203 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.206 6.503 1.922 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.751 5.560 3.961 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.342 3.829 4.009 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.187 4.998 3.325 1.00 0.00 H new ATOM 1329 N ASP A 84 -12.005 2.783 -0.239 1.00 0.00 N ATOM 1330 CA ASP A 84 -12.702 2.666 -1.517 1.00 0.00 C ATOM 1331 C ASP A 84 -12.855 4.033 -2.179 1.00 0.00 C ATOM 1332 O ASP A 84 -12.883 5.061 -1.504 1.00 0.00 O ATOM 1333 CB ASP A 84 -14.076 2.025 -1.314 1.00 0.00 C ATOM 1334 CG ASP A 84 -14.714 1.592 -2.622 1.00 0.00 C ATOM 1335 OD1 ASP A 84 -14.046 1.693 -3.672 1.00 0.00 O ATOM 1336 OD2 ASP A 84 -15.883 1.154 -2.594 1.00 0.00 O ATOM 0 H ASP A 84 -12.494 2.356 0.548 1.00 0.00 H new ATOM 0 HA ASP A 84 -12.107 2.030 -2.173 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -13.977 1.160 -0.658 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -14.733 2.734 -0.810 1.00 0.00 H new ATOM 1341 N ASP A 85 -12.948 4.036 -3.503 1.00 0.00 N ATOM 1342 CA ASP A 85 -13.090 5.277 -4.257 1.00 0.00 C ATOM 1343 C ASP A 85 -14.476 5.895 -4.073 1.00 0.00 C ATOM 1344 O ASP A 85 -14.717 7.024 -4.501 1.00 0.00 O ATOM 1345 CB ASP A 85 -12.825 5.023 -5.742 1.00 0.00 C ATOM 1346 CG ASP A 85 -11.436 5.460 -6.164 1.00 0.00 C ATOM 1347 OD1 ASP A 85 -11.221 5.665 -7.378 1.00 0.00 O ATOM 1348 OD2 ASP A 85 -10.564 5.599 -5.282 1.00 0.00 O ATOM 0 H ASP A 85 -12.928 3.193 -4.078 1.00 0.00 H new ATOM 0 HA ASP A 85 -12.355 5.984 -3.872 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -12.949 3.961 -5.954 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -13.567 5.555 -6.337 1.00 0.00 H new ATOM 1353 N HIS A 86 -15.387 5.158 -3.441 1.00 0.00 N ATOM 1354 CA HIS A 86 -16.742 5.657 -3.218 1.00 0.00 C ATOM 1355 C HIS A 86 -17.439 4.914 -2.079 1.00 0.00 C ATOM 1356 O HIS A 86 -18.667 4.879 -2.013 1.00 0.00 O ATOM 1357 CB HIS A 86 -17.565 5.520 -4.500 1.00 0.00 C ATOM 1358 CG HIS A 86 -17.748 4.100 -4.941 1.00 0.00 C ATOM 1359 ND1 HIS A 86 -17.191 3.029 -4.273 1.00 0.00 N ATOM 1360 CD2 HIS A 86 -18.429 3.575 -5.987 1.00 0.00 C ATOM 1361 CE1 HIS A 86 -17.521 1.910 -4.888 1.00 0.00 C ATOM 1362 NE2 HIS A 86 -18.272 2.212 -5.929 1.00 0.00 N ATOM 0 H HIS A 86 -15.214 4.221 -3.077 1.00 0.00 H new ATOM 0 HA HIS A 86 -16.666 6.707 -2.937 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -18.544 5.973 -4.345 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -17.077 6.080 -5.298 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -18.990 4.125 -6.728 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -17.226 0.915 -4.590 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -18.672 1.541 -6.585 1.00 0.00 H new ATOM 1371 N ASP A 87 -16.654 4.322 -1.183 1.00 0.00 N ATOM 1372 CA ASP A 87 -17.212 3.586 -0.053 1.00 0.00 C ATOM 1373 C ASP A 87 -16.246 3.588 1.128 1.00 0.00 C ATOM 1374 O ASP A 87 -15.437 2.672 1.282 1.00 0.00 O ATOM 1375 CB ASP A 87 -17.535 2.147 -0.465 1.00 0.00 C ATOM 1376 CG ASP A 87 -18.826 1.645 0.150 1.00 0.00 C ATOM 1377 OD1 ASP A 87 -19.029 1.862 1.363 1.00 0.00 O ATOM 1378 OD2 ASP A 87 -19.636 1.037 -0.582 1.00 0.00 O ATOM 0 H ASP A 87 -15.635 4.337 -1.217 1.00 0.00 H new ATOM 0 HA ASP A 87 -18.132 4.083 0.255 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -17.607 2.091 -1.551 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -16.715 1.494 -0.166 1.00 0.00 H new ATOM 1383 N PRO A 88 -16.319 4.624 1.982 1.00 0.00 N ATOM 1384 CA PRO A 88 -15.448 4.744 3.157 1.00 0.00 C ATOM 1385 C PRO A 88 -15.500 3.509 4.054 1.00 0.00 C ATOM 1386 O PRO A 88 -14.591 3.270 4.848 1.00 0.00 O ATOM 1387 CB PRO A 88 -16.008 5.962 3.894 1.00 0.00 C ATOM 1388 CG PRO A 88 -16.702 6.756 2.844 1.00 0.00 C ATOM 1389 CD PRO A 88 -17.256 5.755 1.870 1.00 0.00 C ATOM 0 HA PRO A 88 -14.400 4.843 2.874 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -16.697 5.664 4.684 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -15.213 6.539 4.365 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -17.498 7.363 3.275 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -16.011 7.440 2.351 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -18.274 5.462 2.128 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -17.287 6.154 0.856 1.00 0.00 H new ATOM 1397 N LYS A 89 -16.567 2.721 3.919 1.00 0.00 N ATOM 1398 CA LYS A 89 -16.726 1.510 4.711 1.00 0.00 C ATOM 1399 C LYS A 89 -16.187 0.299 3.952 1.00 0.00 C ATOM 1400 O LYS A 89 -16.653 -0.824 4.138 1.00 0.00 O ATOM 1401 CB LYS A 89 -18.196 1.302 5.070 1.00 0.00 C ATOM 1402 CG LYS A 89 -18.630 2.067 6.309 1.00 0.00 C ATOM 1403 CD LYS A 89 -20.088 1.799 6.654 1.00 0.00 C ATOM 1404 CE LYS A 89 -20.260 1.467 8.127 1.00 0.00 C ATOM 1405 NZ LYS A 89 -21.638 0.988 8.431 1.00 0.00 N ATOM 0 H LYS A 89 -17.331 2.903 3.268 1.00 0.00 H new ATOM 0 HA LYS A 89 -16.154 1.621 5.632 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -18.815 1.610 4.227 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -18.377 0.239 5.227 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -17.999 1.784 7.151 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -18.485 3.135 6.147 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -20.689 2.674 6.405 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -20.461 0.973 6.048 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -19.538 0.702 8.413 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -20.042 2.351 8.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -21.606 0.325 9.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -22.241 1.799 8.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -22.030 0.505 7.597 1.00 0.00 H new ATOM 1419 N THR A 90 -15.192 0.545 3.107 1.00 0.00 N ATOM 1420 CA THR A 90 -14.561 -0.504 2.319 1.00 0.00 C ATOM 1421 C THR A 90 -13.108 -0.139 2.067 1.00 0.00 C ATOM 1422 O THR A 90 -12.729 0.254 0.964 1.00 0.00 O ATOM 1423 CB THR A 90 -15.301 -0.699 0.994 1.00 0.00 C ATOM 1424 OG1 THR A 90 -16.620 -1.163 1.221 1.00 0.00 O ATOM 1425 CG2 THR A 90 -14.624 -1.680 0.062 1.00 0.00 C ATOM 0 H THR A 90 -14.802 1.474 2.950 1.00 0.00 H new ATOM 0 HA THR A 90 -14.605 -1.443 2.871 1.00 0.00 H new ATOM 0 HB THR A 90 -15.301 0.282 0.520 1.00 0.00 H new ATOM 0 HG1 THR A 90 -17.078 -1.280 0.362 1.00 0.00 H new ATOM 0 HG21 THR A 90 -15.204 -1.768 -0.857 1.00 0.00 H new ATOM 0 HG22 THR A 90 -13.621 -1.324 -0.174 1.00 0.00 H new ATOM 0 HG23 THR A 90 -14.559 -2.655 0.545 1.00 0.00 H new ATOM 1433 N VAL A 91 -12.307 -0.258 3.114 1.00 0.00 N ATOM 1434 CA VAL A 91 -10.896 0.071 3.041 1.00 0.00 C ATOM 1435 C VAL A 91 -10.105 -0.999 2.298 1.00 0.00 C ATOM 1436 O VAL A 91 -10.621 -2.070 1.982 1.00 0.00 O ATOM 1437 CB VAL A 91 -10.275 0.273 4.443 1.00 0.00 C ATOM 1438 CG1 VAL A 91 -9.180 1.326 4.394 1.00 0.00 C ATOM 1439 CG2 VAL A 91 -11.341 0.658 5.463 1.00 0.00 C ATOM 0 H VAL A 91 -12.615 -0.583 4.030 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.835 1.009 2.489 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.833 -0.673 4.756 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -8.754 1.455 5.389 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.399 1.007 3.704 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.600 2.272 4.054 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -10.877 0.794 6.440 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -11.819 1.588 5.156 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.089 -0.132 5.523 1.00 0.00 H new ATOM 1449 N TYR A 92 -8.846 -0.687 2.031 1.00 0.00 N ATOM 1450 CA TYR A 92 -7.941 -1.594 1.334 1.00 0.00 C ATOM 1451 C TYR A 92 -6.534 -1.443 1.899 1.00 0.00 C ATOM 1452 O TYR A 92 -5.776 -0.573 1.473 1.00 0.00 O ATOM 1453 CB TYR A 92 -7.921 -1.306 -0.169 1.00 0.00 C ATOM 1454 CG TYR A 92 -9.255 -1.487 -0.857 1.00 0.00 C ATOM 1455 CD1 TYR A 92 -10.274 -0.557 -0.699 1.00 0.00 C ATOM 1456 CD2 TYR A 92 -9.490 -2.586 -1.673 1.00 0.00 C ATOM 1457 CE1 TYR A 92 -11.492 -0.719 -1.331 1.00 0.00 C ATOM 1458 CE2 TYR A 92 -10.706 -2.756 -2.308 1.00 0.00 C ATOM 1459 CZ TYR A 92 -11.704 -1.819 -2.133 1.00 0.00 C ATOM 1460 OH TYR A 92 -12.915 -1.985 -2.764 1.00 0.00 O ATOM 0 H TYR A 92 -8.421 0.203 2.291 1.00 0.00 H new ATOM 0 HA TYR A 92 -8.295 -2.614 1.484 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -7.581 -0.282 -0.326 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.190 -1.961 -0.643 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.112 0.307 -0.072 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -8.710 -3.320 -1.814 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -12.274 0.013 -1.197 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -10.874 -3.617 -2.938 1.00 0.00 H new ATOM 0 HH TYR A 92 -12.899 -2.811 -3.292 1.00 0.00 H new ATOM 1470 N VAL A 93 -6.194 -2.279 2.870 1.00 0.00 N ATOM 1471 CA VAL A 93 -4.884 -2.211 3.497 1.00 0.00 C ATOM 1472 C VAL A 93 -3.928 -3.243 2.913 1.00 0.00 C ATOM 1473 O VAL A 93 -4.236 -4.433 2.848 1.00 0.00 O ATOM 1474 CB VAL A 93 -5.000 -2.395 5.023 1.00 0.00 C ATOM 1475 CG1 VAL A 93 -3.641 -2.652 5.665 1.00 0.00 C ATOM 1476 CG2 VAL A 93 -5.659 -1.171 5.637 1.00 0.00 C ATOM 0 H VAL A 93 -6.804 -3.008 3.238 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.475 -1.222 3.291 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.618 -3.272 5.214 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.765 -2.776 6.741 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.204 -3.557 5.243 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.981 -1.806 5.471 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.740 -1.304 6.716 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.056 -0.288 5.424 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -6.654 -1.042 5.212 1.00 0.00 H new ATOM 1486 N CYS A 94 -2.764 -2.767 2.492 1.00 0.00 N ATOM 1487 CA CYS A 94 -1.745 -3.631 1.917 1.00 0.00 C ATOM 1488 C CYS A 94 -0.556 -3.759 2.858 1.00 0.00 C ATOM 1489 O CYS A 94 -0.279 -2.865 3.657 1.00 0.00 O ATOM 1490 CB CYS A 94 -1.285 -3.084 0.564 1.00 0.00 C ATOM 1491 SG CYS A 94 -0.851 -1.329 0.587 1.00 0.00 S ATOM 0 H CYS A 94 -2.502 -1.782 2.539 1.00 0.00 H new ATOM 0 HA CYS A 94 -2.180 -4.620 1.769 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -0.421 -3.657 0.227 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -2.077 -3.242 -0.168 1.00 0.00 H new ATOM 0 HG CYS A 94 -0.671 -0.943 1.815 1.00 0.00 H new ATOM 1497 N PHE A 95 0.141 -4.879 2.751 1.00 0.00 N ATOM 1498 CA PHE A 95 1.305 -5.144 3.582 1.00 0.00 C ATOM 1499 C PHE A 95 2.465 -5.600 2.709 1.00 0.00 C ATOM 1500 O PHE A 95 2.805 -6.782 2.677 1.00 0.00 O ATOM 1501 CB PHE A 95 0.982 -6.215 4.626 1.00 0.00 C ATOM 1502 CG PHE A 95 0.772 -5.669 6.006 1.00 0.00 C ATOM 1503 CD1 PHE A 95 -0.508 -5.462 6.493 1.00 0.00 C ATOM 1504 CD2 PHE A 95 1.854 -5.372 6.820 1.00 0.00 C ATOM 1505 CE1 PHE A 95 -0.707 -4.970 7.767 1.00 0.00 C ATOM 1506 CE2 PHE A 95 1.660 -4.878 8.095 1.00 0.00 C ATOM 1507 CZ PHE A 95 0.379 -4.678 8.569 1.00 0.00 C ATOM 0 H PHE A 95 -0.081 -5.625 2.091 1.00 0.00 H new ATOM 0 HA PHE A 95 1.584 -4.227 4.101 1.00 0.00 H new ATOM 0 HB2 PHE A 95 0.085 -6.752 4.317 1.00 0.00 H new ATOM 0 HB3 PHE A 95 1.795 -6.941 4.652 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -1.360 -5.688 5.869 1.00 0.00 H new ATOM 0 HD2 PHE A 95 2.858 -5.528 6.454 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -1.710 -4.814 8.136 1.00 0.00 H new ATOM 0 HE2 PHE A 95 2.510 -4.648 8.721 1.00 0.00 H new ATOM 0 HZ PHE A 95 0.226 -4.293 9.567 1.00 0.00 H new ATOM 1517 N THR A 96 3.062 -4.659 1.996 1.00 0.00 N ATOM 1518 CA THR A 96 4.178 -4.974 1.117 1.00 0.00 C ATOM 1519 C THR A 96 5.439 -5.215 1.929 1.00 0.00 C ATOM 1520 O THR A 96 5.385 -5.326 3.151 1.00 0.00 O ATOM 1521 CB THR A 96 4.400 -3.845 0.109 1.00 0.00 C ATOM 1522 OG1 THR A 96 4.802 -2.656 0.766 1.00 0.00 O ATOM 1523 CG2 THR A 96 3.168 -3.529 -0.709 1.00 0.00 C ATOM 0 H THR A 96 2.795 -3.675 2.008 1.00 0.00 H new ATOM 0 HA THR A 96 3.940 -5.885 0.568 1.00 0.00 H new ATOM 0 HB THR A 96 5.180 -4.203 -0.563 1.00 0.00 H new ATOM 0 HG1 THR A 96 4.940 -1.947 0.104 1.00 0.00 H new ATOM 0 HG21 THR A 96 3.391 -2.720 -1.405 1.00 0.00 H new ATOM 0 HG22 THR A 96 2.865 -4.415 -1.267 1.00 0.00 H new ATOM 0 HG23 THR A 96 2.359 -3.224 -0.045 1.00 0.00 H new ATOM 1531 N LEU A 97 6.569 -5.299 1.248 1.00 0.00 N ATOM 1532 CA LEU A 97 7.839 -5.528 1.917 1.00 0.00 C ATOM 1533 C LEU A 97 8.630 -4.230 2.021 1.00 0.00 C ATOM 1534 O LEU A 97 8.676 -3.448 1.075 1.00 0.00 O ATOM 1535 CB LEU A 97 8.626 -6.591 1.170 1.00 0.00 C ATOM 1536 CG LEU A 97 7.854 -7.891 0.957 1.00 0.00 C ATOM 1537 CD1 LEU A 97 8.539 -8.740 -0.082 1.00 0.00 C ATOM 1538 CD2 LEU A 97 7.708 -8.656 2.266 1.00 0.00 C ATOM 0 H LEU A 97 6.634 -5.212 0.234 1.00 0.00 H new ATOM 0 HA LEU A 97 7.651 -5.883 2.930 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.926 -6.194 0.200 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.540 -6.808 1.722 1.00 0.00 H new ATOM 0 HG LEU A 97 6.855 -7.643 0.599 1.00 0.00 H new ATOM 0 HD11 LEU A 97 7.978 -9.664 -0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 97 8.585 -8.195 -1.025 1.00 0.00 H new ATOM 0 HD13 LEU A 97 9.550 -8.977 0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 97 7.155 -9.578 2.089 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.696 -8.895 2.660 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.169 -8.042 2.988 1.00 0.00 H new ATOM 1550 N VAL A 98 9.233 -3.993 3.185 1.00 0.00 N ATOM 1551 CA VAL A 98 10.008 -2.769 3.416 1.00 0.00 C ATOM 1552 C VAL A 98 10.910 -2.436 2.229 1.00 0.00 C ATOM 1553 O VAL A 98 11.178 -1.264 1.956 1.00 0.00 O ATOM 1554 CB VAL A 98 10.873 -2.859 4.695 1.00 0.00 C ATOM 1555 CG1 VAL A 98 10.148 -2.226 5.874 1.00 0.00 C ATOM 1556 CG2 VAL A 98 11.246 -4.301 5.008 1.00 0.00 C ATOM 0 H VAL A 98 9.202 -4.629 3.982 1.00 0.00 H new ATOM 0 HA VAL A 98 9.274 -1.973 3.543 1.00 0.00 H new ATOM 0 HB VAL A 98 11.795 -2.307 4.516 1.00 0.00 H new ATOM 0 HG11 VAL A 98 10.771 -2.298 6.766 1.00 0.00 H new ATOM 0 HG12 VAL A 98 9.946 -1.177 5.656 1.00 0.00 H new ATOM 0 HG13 VAL A 98 9.207 -2.749 6.046 1.00 0.00 H new ATOM 0 HG21 VAL A 98 11.854 -4.332 5.912 1.00 0.00 H new ATOM 0 HG22 VAL A 98 10.339 -4.887 5.160 1.00 0.00 H new ATOM 0 HG23 VAL A 98 11.812 -4.719 4.176 1.00 0.00 H new ATOM 1566 N ASP A 99 11.368 -3.463 1.523 1.00 0.00 N ATOM 1567 CA ASP A 99 12.230 -3.263 0.363 1.00 0.00 C ATOM 1568 C ASP A 99 11.450 -2.624 -0.780 1.00 0.00 C ATOM 1569 O ASP A 99 11.991 -1.837 -1.554 1.00 0.00 O ATOM 1570 CB ASP A 99 12.831 -4.596 -0.089 1.00 0.00 C ATOM 1571 CG ASP A 99 13.700 -5.228 0.979 1.00 0.00 C ATOM 1572 OD1 ASP A 99 13.141 -5.743 1.972 1.00 0.00 O ATOM 1573 OD2 ASP A 99 14.939 -5.212 0.823 1.00 0.00 O ATOM 0 H ASP A 99 11.158 -4.439 1.732 1.00 0.00 H new ATOM 0 HA ASP A 99 13.040 -2.591 0.648 1.00 0.00 H new ATOM 0 HB2 ASP A 99 12.027 -5.283 -0.353 1.00 0.00 H new ATOM 0 HB3 ASP A 99 13.424 -4.438 -0.990 1.00 0.00 H new ATOM 1578 N ILE A 100 10.169 -2.968 -0.869 1.00 0.00 N ATOM 1579 CA ILE A 100 9.296 -2.431 -1.905 1.00 0.00 C ATOM 1580 C ILE A 100 9.060 -0.934 -1.700 1.00 0.00 C ATOM 1581 O ILE A 100 8.654 -0.509 -0.618 1.00 0.00 O ATOM 1582 CB ILE A 100 7.932 -3.157 -1.906 1.00 0.00 C ATOM 1583 CG1 ILE A 100 8.129 -4.660 -2.159 1.00 0.00 C ATOM 1584 CG2 ILE A 100 6.992 -2.538 -2.935 1.00 0.00 C ATOM 1585 CD1 ILE A 100 7.744 -5.115 -3.553 1.00 0.00 C ATOM 0 H ILE A 100 9.711 -3.620 -0.232 1.00 0.00 H new ATOM 0 HA ILE A 100 9.793 -2.590 -2.862 1.00 0.00 H new ATOM 0 HB ILE A 100 7.471 -3.037 -0.926 1.00 0.00 H new ATOM 0 HG12 ILE A 100 9.175 -4.912 -1.983 1.00 0.00 H new ATOM 0 HG13 ILE A 100 7.540 -5.219 -1.432 1.00 0.00 H new ATOM 0 HG21 ILE A 100 6.038 -3.064 -2.919 1.00 0.00 H new ATOM 0 HG22 ILE A 100 6.831 -1.487 -2.695 1.00 0.00 H new ATOM 0 HG23 ILE A 100 7.435 -2.620 -3.928 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.914 -6.188 -3.646 1.00 0.00 H new ATOM 0 HD12 ILE A 100 6.690 -4.898 -3.728 1.00 0.00 H new ATOM 0 HD13 ILE A 100 8.350 -4.587 -4.289 1.00 0.00 H new ATOM 1597 N PRO A 101 9.302 -0.112 -2.737 1.00 0.00 N ATOM 1598 CA PRO A 101 9.101 1.337 -2.652 1.00 0.00 C ATOM 1599 C PRO A 101 7.655 1.692 -2.321 1.00 0.00 C ATOM 1600 O PRO A 101 6.860 0.826 -1.958 1.00 0.00 O ATOM 1601 CB PRO A 101 9.470 1.847 -4.053 1.00 0.00 C ATOM 1602 CG PRO A 101 9.422 0.646 -4.936 1.00 0.00 C ATOM 1603 CD PRO A 101 9.778 -0.525 -4.066 1.00 0.00 C ATOM 0 HA PRO A 101 9.702 1.783 -1.859 1.00 0.00 H new ATOM 0 HB2 PRO A 101 8.770 2.611 -4.390 1.00 0.00 H new ATOM 0 HB3 PRO A 101 10.462 2.299 -4.058 1.00 0.00 H new ATOM 0 HG2 PRO A 101 8.430 0.521 -5.371 1.00 0.00 H new ATOM 0 HG3 PRO A 101 10.123 0.743 -5.765 1.00 0.00 H new ATOM 0 HD2 PRO A 101 9.290 -1.440 -4.402 1.00 0.00 H new ATOM 0 HD3 PRO A 101 10.851 -0.717 -4.068 1.00 0.00 H new ATOM 1611 N LYS A 102 7.319 2.971 -2.451 1.00 0.00 N ATOM 1612 CA LYS A 102 5.965 3.437 -2.169 1.00 0.00 C ATOM 1613 C LYS A 102 5.230 3.766 -3.462 1.00 0.00 C ATOM 1614 O LYS A 102 4.916 4.925 -3.734 1.00 0.00 O ATOM 1615 CB LYS A 102 6.008 4.667 -1.260 1.00 0.00 C ATOM 1616 CG LYS A 102 4.635 5.162 -0.840 1.00 0.00 C ATOM 1617 CD LYS A 102 4.731 6.411 0.025 1.00 0.00 C ATOM 1618 CE LYS A 102 3.725 7.465 -0.402 1.00 0.00 C ATOM 1619 NZ LYS A 102 4.058 8.046 -1.733 1.00 0.00 N ATOM 0 H LYS A 102 7.964 3.703 -2.749 1.00 0.00 H new ATOM 0 HA LYS A 102 5.426 2.639 -1.659 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.588 4.429 -0.368 1.00 0.00 H new ATOM 0 HB3 LYS A 102 6.533 5.471 -1.776 1.00 0.00 H new ATOM 0 HG2 LYS A 102 4.038 5.377 -1.726 1.00 0.00 H new ATOM 0 HG3 LYS A 102 4.117 4.377 -0.290 1.00 0.00 H new ATOM 0 HD2 LYS A 102 4.560 6.146 1.068 1.00 0.00 H new ATOM 0 HD3 LYS A 102 5.739 6.822 -0.039 1.00 0.00 H new ATOM 0 HE2 LYS A 102 2.729 7.023 -0.438 1.00 0.00 H new ATOM 0 HE3 LYS A 102 3.694 8.260 0.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 3.552 8.947 -1.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 5.083 8.214 -1.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 3.772 7.384 -2.482 1.00 0.00 H new ATOM 1633 N ILE A 103 4.962 2.739 -4.263 1.00 0.00 N ATOM 1634 CA ILE A 103 4.269 2.929 -5.532 1.00 0.00 C ATOM 1635 C ILE A 103 3.463 1.692 -5.930 1.00 0.00 C ATOM 1636 O ILE A 103 2.366 1.820 -6.473 1.00 0.00 O ATOM 1637 CB ILE A 103 5.260 3.318 -6.653 1.00 0.00 C ATOM 1638 CG1 ILE A 103 4.547 3.458 -8.002 1.00 0.00 C ATOM 1639 CG2 ILE A 103 6.389 2.301 -6.740 1.00 0.00 C ATOM 1640 CD1 ILE A 103 3.888 4.805 -8.200 1.00 0.00 C ATOM 0 H ILE A 103 5.213 1.772 -4.057 1.00 0.00 H new ATOM 0 HA ILE A 103 3.565 3.750 -5.394 1.00 0.00 H new ATOM 0 HB ILE A 103 5.687 4.289 -6.404 1.00 0.00 H new ATOM 0 HG12 ILE A 103 5.267 3.294 -8.803 1.00 0.00 H new ATOM 0 HG13 ILE A 103 3.792 2.677 -8.087 1.00 0.00 H new ATOM 0 HG21 ILE A 103 7.078 2.589 -7.534 1.00 0.00 H new ATOM 0 HG22 ILE A 103 6.923 2.268 -5.790 1.00 0.00 H new ATOM 0 HG23 ILE A 103 5.976 1.316 -6.958 1.00 0.00 H new ATOM 0 HD11 ILE A 103 3.403 4.833 -9.176 1.00 0.00 H new ATOM 0 HD12 ILE A 103 3.143 4.964 -7.420 1.00 0.00 H new ATOM 0 HD13 ILE A 103 4.642 5.590 -8.147 1.00 0.00 H new ATOM 1652 N LEU A 104 3.978 0.499 -5.645 1.00 0.00 N ATOM 1653 CA LEU A 104 3.239 -0.717 -5.973 1.00 0.00 C ATOM 1654 C LEU A 104 1.950 -0.754 -5.163 1.00 0.00 C ATOM 1655 O LEU A 104 0.859 -0.698 -5.729 1.00 0.00 O ATOM 1656 CB LEU A 104 4.064 -1.993 -5.723 1.00 0.00 C ATOM 1657 CG LEU A 104 3.248 -3.302 -5.715 1.00 0.00 C ATOM 1658 CD1 LEU A 104 3.468 -4.096 -6.996 1.00 0.00 C ATOM 1659 CD2 LEU A 104 3.592 -4.153 -4.500 1.00 0.00 C ATOM 0 H LEU A 104 4.883 0.349 -5.198 1.00 0.00 H new ATOM 0 HA LEU A 104 3.012 -0.694 -7.039 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.834 -2.067 -6.491 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.576 -1.895 -4.766 1.00 0.00 H new ATOM 0 HG LEU A 104 2.194 -3.031 -5.658 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.880 -5.013 -6.961 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.157 -3.498 -7.853 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.525 -4.346 -7.092 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.003 -5.070 -4.519 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.653 -4.403 -4.520 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.367 -3.596 -3.590 1.00 0.00 H new ATOM 1671 N PRO A 105 2.050 -0.819 -3.817 1.00 0.00 N ATOM 1672 CA PRO A 105 0.881 -0.838 -2.939 1.00 0.00 C ATOM 1673 C PRO A 105 -0.146 0.205 -3.361 1.00 0.00 C ATOM 1674 O PRO A 105 -1.348 0.024 -3.170 1.00 0.00 O ATOM 1675 CB PRO A 105 1.453 -0.508 -1.549 1.00 0.00 C ATOM 1676 CG PRO A 105 2.893 -0.166 -1.770 1.00 0.00 C ATOM 1677 CD PRO A 105 3.295 -0.851 -3.043 1.00 0.00 C ATOM 0 HA PRO A 105 0.360 -1.795 -2.966 1.00 0.00 H new ATOM 0 HB2 PRO A 105 0.919 0.326 -1.094 1.00 0.00 H new ATOM 0 HB3 PRO A 105 1.352 -1.357 -0.873 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.029 0.913 -1.848 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.506 -0.505 -0.935 1.00 0.00 H new ATOM 0 HD2 PRO A 105 4.104 -0.325 -3.551 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.639 -1.870 -2.866 1.00 0.00 H new ATOM 1685 N ILE A 106 0.345 1.284 -3.956 1.00 0.00 N ATOM 1686 CA ILE A 106 -0.517 2.350 -4.434 1.00 0.00 C ATOM 1687 C ILE A 106 -1.321 1.863 -5.636 1.00 0.00 C ATOM 1688 O ILE A 106 -2.533 2.072 -5.717 1.00 0.00 O ATOM 1689 CB ILE A 106 0.308 3.597 -4.814 1.00 0.00 C ATOM 1690 CG1 ILE A 106 0.957 4.214 -3.570 1.00 0.00 C ATOM 1691 CG2 ILE A 106 -0.542 4.629 -5.533 1.00 0.00 C ATOM 1692 CD1 ILE A 106 2.124 3.417 -3.030 1.00 0.00 C ATOM 0 H ILE A 106 1.340 1.442 -4.118 1.00 0.00 H new ATOM 0 HA ILE A 106 -1.201 2.629 -3.632 1.00 0.00 H new ATOM 0 HB ILE A 106 1.094 3.276 -5.498 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.298 5.221 -3.811 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.203 4.311 -2.789 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.072 5.494 -5.786 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -0.948 4.193 -6.446 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -1.360 4.942 -4.885 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.530 3.917 -2.151 1.00 0.00 H new ATOM 0 HD12 ILE A 106 1.786 2.418 -2.756 1.00 0.00 H new ATOM 0 HD13 ILE A 106 2.898 3.342 -3.794 1.00 0.00 H new ATOM 1704 N ARG A 107 -0.633 1.190 -6.551 1.00 0.00 N ATOM 1705 CA ARG A 107 -1.269 0.646 -7.740 1.00 0.00 C ATOM 1706 C ARG A 107 -2.056 -0.619 -7.398 1.00 0.00 C ATOM 1707 O ARG A 107 -2.978 -0.995 -8.119 1.00 0.00 O ATOM 1708 CB ARG A 107 -0.222 0.339 -8.813 1.00 0.00 C ATOM 1709 CG ARG A 107 -0.026 1.470 -9.810 1.00 0.00 C ATOM 1710 CD ARG A 107 -0.836 1.246 -11.076 1.00 0.00 C ATOM 1711 NE ARG A 107 -1.127 2.500 -11.770 1.00 0.00 N ATOM 1712 CZ ARG A 107 -2.087 3.345 -11.401 1.00 0.00 C ATOM 1713 NH1 ARG A 107 -2.848 3.075 -10.346 1.00 0.00 N ATOM 1714 NH2 ARG A 107 -2.286 4.461 -12.086 1.00 0.00 N ATOM 0 H ARG A 107 0.369 1.009 -6.490 1.00 0.00 H new ATOM 0 HA ARG A 107 -1.962 1.393 -8.128 1.00 0.00 H new ATOM 0 HB2 ARG A 107 0.730 0.123 -8.329 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -0.518 -0.562 -9.351 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -0.319 2.415 -9.352 1.00 0.00 H new ATOM 0 HG3 ARG A 107 1.031 1.553 -10.063 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -0.288 0.581 -11.744 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -1.771 0.746 -10.824 1.00 0.00 H new ATOM 0 HE ARG A 107 -0.562 2.741 -12.584 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -2.698 2.217 -9.815 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -3.582 3.726 -10.067 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -1.704 4.673 -12.896 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -3.022 5.109 -11.803 1.00 0.00 H new ATOM 1728 N ILE A 108 -1.692 -1.268 -6.291 1.00 0.00 N ATOM 1729 CA ILE A 108 -2.380 -2.481 -5.864 1.00 0.00 C ATOM 1730 C ILE A 108 -3.806 -2.160 -5.448 1.00 0.00 C ATOM 1731 O ILE A 108 -4.758 -2.671 -6.031 1.00 0.00 O ATOM 1732 CB ILE A 108 -1.651 -3.175 -4.696 1.00 0.00 C ATOM 1733 CG1 ILE A 108 -0.190 -3.406 -5.062 1.00 0.00 C ATOM 1734 CG2 ILE A 108 -2.321 -4.498 -4.350 1.00 0.00 C ATOM 1735 CD1 ILE A 108 -0.011 -4.368 -6.212 1.00 0.00 C ATOM 0 H ILE A 108 -0.930 -0.975 -5.680 1.00 0.00 H new ATOM 0 HA ILE A 108 -2.387 -3.163 -6.714 1.00 0.00 H new ATOM 0 HB ILE A 108 -1.703 -2.527 -3.821 1.00 0.00 H new ATOM 0 HG12 ILE A 108 0.269 -2.452 -5.320 1.00 0.00 H new ATOM 0 HG13 ILE A 108 0.340 -3.789 -4.190 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -1.790 -4.970 -3.523 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -3.356 -4.317 -4.060 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -2.298 -5.156 -5.219 1.00 0.00 H new ATOM 0 HD11 ILE A 108 1.052 -4.489 -6.423 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -0.441 -5.334 -5.948 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -0.514 -3.976 -7.096 1.00 0.00 H new ATOM 1747 N LEU A 109 -3.950 -1.291 -4.452 1.00 0.00 N ATOM 1748 CA LEU A 109 -5.272 -0.891 -3.986 1.00 0.00 C ATOM 1749 C LEU A 109 -6.012 -0.178 -5.102 1.00 0.00 C ATOM 1750 O LEU A 109 -7.095 -0.599 -5.509 1.00 0.00 O ATOM 1751 CB LEU A 109 -5.159 0.008 -2.751 1.00 0.00 C ATOM 1752 CG LEU A 109 -4.875 -0.719 -1.428 1.00 0.00 C ATOM 1753 CD1 LEU A 109 -4.848 -2.230 -1.625 1.00 0.00 C ATOM 1754 CD2 LEU A 109 -3.563 -0.237 -0.826 1.00 0.00 C ATOM 0 H LEU A 109 -3.174 -0.854 -3.956 1.00 0.00 H new ATOM 0 HA LEU A 109 -5.833 -1.782 -3.703 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -4.365 0.735 -2.924 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -6.088 0.569 -2.645 1.00 0.00 H new ATOM 0 HG LEU A 109 -5.684 -0.485 -0.736 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.645 -2.718 -0.672 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -5.813 -2.565 -2.005 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -4.067 -2.490 -2.339 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.378 -0.763 0.111 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.748 -0.437 -1.522 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.622 0.835 -0.635 1.00 0.00 H new ATOM 1766 N SER A 110 -5.407 0.887 -5.618 1.00 0.00 N ATOM 1767 CA SER A 110 -6.006 1.626 -6.719 1.00 0.00 C ATOM 1768 C SER A 110 -6.245 0.678 -7.890 1.00 0.00 C ATOM 1769 O SER A 110 -7.136 0.895 -8.713 1.00 0.00 O ATOM 1770 CB SER A 110 -5.102 2.782 -7.148 1.00 0.00 C ATOM 1771 OG SER A 110 -4.062 2.331 -7.997 1.00 0.00 O ATOM 0 H SER A 110 -4.512 1.253 -5.294 1.00 0.00 H new ATOM 0 HA SER A 110 -6.957 2.046 -6.391 1.00 0.00 H new ATOM 0 HB2 SER A 110 -5.694 3.538 -7.664 1.00 0.00 H new ATOM 0 HB3 SER A 110 -4.674 3.259 -6.266 1.00 0.00 H new ATOM 0 HG SER A 110 -3.269 2.892 -7.869 1.00 0.00 H new ATOM 1777 N GLY A 111 -5.453 -0.391 -7.937 1.00 0.00 N ATOM 1778 CA GLY A 111 -5.592 -1.379 -8.982 1.00 0.00 C ATOM 1779 C GLY A 111 -6.800 -2.261 -8.754 1.00 0.00 C ATOM 1780 O GLY A 111 -7.580 -2.501 -9.673 1.00 0.00 O ATOM 0 H GLY A 111 -4.714 -0.587 -7.262 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -5.682 -0.880 -9.947 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -4.693 -1.995 -9.024 1.00 0.00 H new ATOM 1784 N LEU A 112 -6.976 -2.727 -7.514 1.00 0.00 N ATOM 1785 CA LEU A 112 -8.128 -3.556 -7.180 1.00 0.00 C ATOM 1786 C LEU A 112 -9.399 -2.798 -7.535 1.00 0.00 C ATOM 1787 O LEU A 112 -10.427 -3.393 -7.865 1.00 0.00 O ATOM 1788 CB LEU A 112 -8.140 -3.927 -5.686 1.00 0.00 C ATOM 1789 CG LEU A 112 -6.932 -4.732 -5.185 1.00 0.00 C ATOM 1790 CD1 LEU A 112 -6.777 -4.578 -3.679 1.00 0.00 C ATOM 1791 CD2 LEU A 112 -7.069 -6.206 -5.546 1.00 0.00 C ATOM 0 H LEU A 112 -6.342 -2.545 -6.736 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.069 -4.483 -7.750 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -8.206 -3.008 -5.104 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -9.044 -4.500 -5.481 1.00 0.00 H new ATOM 0 HG LEU A 112 -6.041 -4.339 -5.675 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -5.916 -5.155 -3.341 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.628 -3.526 -3.434 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -7.676 -4.942 -3.182 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.200 -6.753 -5.179 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.972 -6.610 -5.088 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.133 -6.311 -6.629 1.00 0.00 H new ATOM 1803 N GLN A 113 -9.306 -1.469 -7.490 1.00 0.00 N ATOM 1804 CA GLN A 113 -10.426 -0.611 -7.831 1.00 0.00 C ATOM 1805 C GLN A 113 -10.664 -0.626 -9.338 1.00 0.00 C ATOM 1806 O GLN A 113 -11.731 -0.230 -9.809 1.00 0.00 O ATOM 1807 CB GLN A 113 -10.165 0.820 -7.355 1.00 0.00 C ATOM 1808 CG GLN A 113 -10.326 0.999 -5.855 1.00 0.00 C ATOM 1809 CD GLN A 113 -9.842 2.353 -5.373 1.00 0.00 C ATOM 1810 OE1 GLN A 113 -9.518 3.229 -6.175 1.00 0.00 O ATOM 1811 NE2 GLN A 113 -9.792 2.530 -4.059 1.00 0.00 N ATOM 0 H GLN A 113 -8.460 -0.968 -7.219 1.00 0.00 H new ATOM 0 HA GLN A 113 -11.317 -0.990 -7.330 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -9.154 1.111 -7.641 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -10.849 1.496 -7.869 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -11.376 0.877 -5.589 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -9.773 0.215 -5.338 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -10.070 1.775 -3.432 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -9.475 3.421 -3.676 1.00 0.00 H new ATOM 1820 N GLU A 114 -9.674 -1.107 -10.095 1.00 0.00 N ATOM 1821 CA GLU A 114 -9.802 -1.189 -11.539 1.00 0.00 C ATOM 1822 C GLU A 114 -10.808 -2.271 -11.897 1.00 0.00 C ATOM 1823 O GLU A 114 -11.460 -2.209 -12.939 1.00 0.00 O ATOM 1824 CB GLU A 114 -8.447 -1.491 -12.183 1.00 0.00 C ATOM 1825 CG GLU A 114 -8.223 -0.765 -13.498 1.00 0.00 C ATOM 1826 CD GLU A 114 -6.781 -0.340 -13.692 1.00 0.00 C ATOM 1827 OE1 GLU A 114 -6.240 0.350 -12.804 1.00 0.00 O ATOM 1828 OE2 GLU A 114 -6.192 -0.700 -14.735 1.00 0.00 O ATOM 0 H GLU A 114 -8.783 -1.442 -9.728 1.00 0.00 H new ATOM 0 HA GLU A 114 -10.153 -0.230 -11.919 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -7.654 -1.217 -11.487 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -8.366 -2.565 -12.352 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -8.521 -1.414 -14.322 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -8.865 0.115 -13.537 1.00 0.00 H new ATOM 1835 N TYR A 115 -10.936 -3.258 -11.013 1.00 0.00 N ATOM 1836 CA TYR A 115 -11.872 -4.346 -11.227 1.00 0.00 C ATOM 1837 C TYR A 115 -13.160 -4.104 -10.446 1.00 0.00 C ATOM 1838 O TYR A 115 -13.387 -3.013 -9.923 1.00 0.00 O ATOM 1839 CB TYR A 115 -11.259 -5.679 -10.799 1.00 0.00 C ATOM 1840 CG TYR A 115 -9.898 -5.969 -11.390 1.00 0.00 C ATOM 1841 CD1 TYR A 115 -9.731 -6.990 -12.319 1.00 0.00 C ATOM 1842 CD2 TYR A 115 -8.780 -5.239 -11.011 1.00 0.00 C ATOM 1843 CE1 TYR A 115 -8.489 -7.273 -12.852 1.00 0.00 C ATOM 1844 CE2 TYR A 115 -7.534 -5.516 -11.542 1.00 0.00 C ATOM 1845 CZ TYR A 115 -7.394 -6.534 -12.462 1.00 0.00 C ATOM 1846 OH TYR A 115 -6.154 -6.813 -12.991 1.00 0.00 O ATOM 0 H TYR A 115 -10.403 -3.322 -10.146 1.00 0.00 H new ATOM 0 HA TYR A 115 -12.101 -4.387 -12.292 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -11.178 -5.694 -9.712 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -11.940 -6.483 -11.079 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -10.587 -7.571 -12.629 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -8.885 -4.442 -10.290 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -8.377 -8.070 -13.572 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -6.674 -4.938 -11.238 1.00 0.00 H new ATOM 0 HH TYR A 115 -5.544 -6.069 -12.806 1.00 0.00 H new ATOM 1856 N GLU A 116 -13.996 -5.135 -10.357 1.00 0.00 N ATOM 1857 CA GLU A 116 -15.256 -5.046 -9.627 1.00 0.00 C ATOM 1858 C GLU A 116 -15.315 -6.092 -8.513 1.00 0.00 C ATOM 1859 O GLU A 116 -16.299 -6.176 -7.776 1.00 0.00 O ATOM 1860 CB GLU A 116 -16.437 -5.238 -10.580 1.00 0.00 C ATOM 1861 CG GLU A 116 -16.266 -4.527 -11.912 1.00 0.00 C ATOM 1862 CD GLU A 116 -17.583 -4.045 -12.489 1.00 0.00 C ATOM 1863 OE1 GLU A 116 -17.664 -2.858 -12.871 1.00 0.00 O ATOM 1864 OE2 GLU A 116 -18.531 -4.854 -12.560 1.00 0.00 O ATOM 0 H GLU A 116 -13.822 -6.045 -10.783 1.00 0.00 H new ATOM 0 HA GLU A 116 -15.316 -4.055 -9.177 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -16.577 -6.304 -10.762 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -17.345 -4.875 -10.098 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -15.597 -3.676 -11.782 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -15.788 -5.203 -12.622 1.00 0.00 H new ATOM 1871 N SER A 117 -14.257 -6.891 -8.402 1.00 0.00 N ATOM 1872 CA SER A 117 -14.179 -7.937 -7.386 1.00 0.00 C ATOM 1873 C SER A 117 -12.923 -7.790 -6.545 1.00 0.00 C ATOM 1874 O SER A 117 -11.835 -7.522 -7.049 1.00 0.00 O ATOM 1875 CB SER A 117 -14.205 -9.315 -8.048 1.00 0.00 C ATOM 1876 OG SER A 117 -15.071 -9.326 -9.171 1.00 0.00 O ATOM 0 H SER A 117 -13.438 -6.833 -9.007 1.00 0.00 H new ATOM 0 HA SER A 117 -15.043 -7.836 -6.729 1.00 0.00 H new ATOM 0 HB2 SER A 117 -13.198 -9.591 -8.359 1.00 0.00 H new ATOM 0 HB3 SER A 117 -14.532 -10.063 -7.325 1.00 0.00 H new ATOM 0 HG SER A 117 -15.068 -10.218 -9.577 1.00 0.00 H new ATOM 1882 N ASN A 118 -13.101 -7.975 -5.251 1.00 0.00 N ATOM 1883 CA ASN A 118 -12.015 -7.883 -4.289 1.00 0.00 C ATOM 1884 C ASN A 118 -12.581 -8.001 -2.886 1.00 0.00 C ATOM 1885 O ASN A 118 -12.121 -7.332 -1.963 1.00 0.00 O ATOM 1886 CB ASN A 118 -11.261 -6.558 -4.444 1.00 0.00 C ATOM 1887 CG ASN A 118 -12.189 -5.361 -4.464 1.00 0.00 C ATOM 1888 OD1 ASN A 118 -13.189 -5.324 -3.747 1.00 0.00 O ATOM 1889 ND2 ASN A 118 -11.864 -4.373 -5.289 1.00 0.00 N ATOM 0 H ASN A 118 -14.006 -8.194 -4.834 1.00 0.00 H new ATOM 0 HA ASN A 118 -11.311 -8.695 -4.470 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -10.551 -6.450 -3.624 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -10.681 -6.580 -5.367 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -12.453 -3.542 -5.346 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -11.026 -4.445 -5.866 1.00 0.00 H new ATOM 1896 N ALA A 119 -13.607 -8.834 -2.745 1.00 0.00 N ATOM 1897 CA ALA A 119 -14.270 -9.019 -1.457 1.00 0.00 C ATOM 1898 C ALA A 119 -14.091 -10.428 -0.884 1.00 0.00 C ATOM 1899 O ALA A 119 -14.989 -10.937 -0.214 1.00 0.00 O ATOM 1900 CB ALA A 119 -15.749 -8.703 -1.595 1.00 0.00 C ATOM 0 H ALA A 119 -13.998 -9.391 -3.505 1.00 0.00 H new ATOM 0 HA ALA A 119 -13.797 -8.332 -0.755 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -16.242 -8.842 -0.633 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -15.872 -7.670 -1.920 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -16.196 -9.370 -2.331 1.00 0.00 H new ATOM 1906 N THR A 120 -12.939 -11.056 -1.120 1.00 0.00 N ATOM 1907 CA THR A 120 -12.700 -12.393 -0.584 1.00 0.00 C ATOM 1908 C THR A 120 -11.233 -12.582 -0.225 1.00 0.00 C ATOM 1909 O THR A 120 -10.356 -11.920 -0.780 1.00 0.00 O ATOM 1910 CB THR A 120 -13.151 -13.477 -1.573 1.00 0.00 C ATOM 1911 OG1 THR A 120 -12.037 -14.122 -2.167 1.00 0.00 O ATOM 1912 CG2 THR A 120 -14.030 -12.957 -2.691 1.00 0.00 C ATOM 0 H THR A 120 -12.171 -10.669 -1.668 1.00 0.00 H new ATOM 0 HA THR A 120 -13.293 -12.493 0.325 1.00 0.00 H new ATOM 0 HB THR A 120 -13.736 -14.173 -0.972 1.00 0.00 H new ATOM 0 HG1 THR A 120 -12.350 -14.764 -2.838 1.00 0.00 H new ATOM 0 HG21 THR A 120 -14.308 -13.781 -3.348 1.00 0.00 H new ATOM 0 HG22 THR A 120 -14.930 -12.510 -2.268 1.00 0.00 H new ATOM 0 HG23 THR A 120 -13.486 -12.205 -3.262 1.00 0.00 H new ATOM 1920 N ASN A 121 -10.965 -13.500 0.698 1.00 0.00 N ATOM 1921 CA ASN A 121 -9.597 -13.778 1.117 1.00 0.00 C ATOM 1922 C ASN A 121 -8.855 -14.597 0.074 1.00 0.00 C ATOM 1923 O ASN A 121 -7.883 -15.285 0.387 1.00 0.00 O ATOM 1924 CB ASN A 121 -9.585 -14.503 2.464 1.00 0.00 C ATOM 1925 CG ASN A 121 -10.379 -13.764 3.525 1.00 0.00 C ATOM 1926 OD1 ASN A 121 -9.828 -12.960 4.280 1.00 0.00 O ATOM 1927 ND2 ASN A 121 -11.676 -14.033 3.592 1.00 0.00 N ATOM 0 H ASN A 121 -11.675 -14.062 1.168 1.00 0.00 H new ATOM 0 HA ASN A 121 -9.083 -12.823 1.225 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -9.996 -15.505 2.338 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -8.555 -14.621 2.801 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -12.258 -13.567 4.288 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -12.091 -14.706 2.947 1.00 0.00 H new ATOM 1934 N GLU A 122 -9.303 -14.503 -1.171 1.00 0.00 N ATOM 1935 CA GLU A 122 -8.673 -15.213 -2.258 1.00 0.00 C ATOM 1936 C GLU A 122 -9.151 -14.639 -3.577 1.00 0.00 C ATOM 1937 O GLU A 122 -9.161 -15.326 -4.598 1.00 0.00 O ATOM 1938 CB GLU A 122 -8.986 -16.709 -2.185 1.00 0.00 C ATOM 1939 CG GLU A 122 -7.832 -17.594 -2.626 1.00 0.00 C ATOM 1940 CD GLU A 122 -8.237 -18.594 -3.694 1.00 0.00 C ATOM 1941 OE1 GLU A 122 -8.797 -19.652 -3.336 1.00 0.00 O ATOM 1942 OE2 GLU A 122 -7.995 -18.317 -4.888 1.00 0.00 O ATOM 0 H GLU A 122 -10.105 -13.937 -1.446 1.00 0.00 H new ATOM 0 HA GLU A 122 -7.593 -15.092 -2.180 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -9.259 -16.965 -1.161 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -9.854 -16.921 -2.809 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -7.025 -16.969 -3.007 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -7.440 -18.130 -1.762 1.00 0.00 H new ATOM 1949 N LEU A 123 -9.558 -13.370 -3.551 1.00 0.00 N ATOM 1950 CA LEU A 123 -10.042 -12.719 -4.743 1.00 0.00 C ATOM 1951 C LEU A 123 -9.238 -11.467 -5.007 1.00 0.00 C ATOM 1952 O LEU A 123 -8.623 -11.320 -6.060 1.00 0.00 O ATOM 1953 CB LEU A 123 -11.511 -12.388 -4.577 1.00 0.00 C ATOM 1954 CG LEU A 123 -12.236 -12.083 -5.869 1.00 0.00 C ATOM 1955 CD1 LEU A 123 -13.713 -12.371 -5.705 1.00 0.00 C ATOM 1956 CD2 LEU A 123 -11.992 -10.641 -6.268 1.00 0.00 C ATOM 0 H LEU A 123 -9.558 -12.784 -2.716 1.00 0.00 H new ATOM 0 HA LEU A 123 -9.928 -13.387 -5.597 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -12.006 -13.226 -4.087 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -11.604 -11.530 -3.912 1.00 0.00 H new ATOM 0 HG LEU A 123 -11.854 -12.721 -6.666 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -14.232 -12.150 -6.637 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -13.853 -13.422 -5.452 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -14.119 -11.748 -4.908 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -12.517 -10.427 -7.199 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -12.360 -9.979 -5.484 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -10.923 -10.478 -6.408 1.00 0.00 H new ATOM 1968 N LEU A 124 -9.211 -10.575 -4.027 1.00 0.00 N ATOM 1969 CA LEU A 124 -8.437 -9.356 -4.152 1.00 0.00 C ATOM 1970 C LEU A 124 -7.014 -9.733 -4.532 1.00 0.00 C ATOM 1971 O LEU A 124 -6.393 -9.104 -5.387 1.00 0.00 O ATOM 1972 CB LEU A 124 -8.475 -8.570 -2.841 1.00 0.00 C ATOM 1973 CG LEU A 124 -7.191 -8.595 -2.010 1.00 0.00 C ATOM 1974 CD1 LEU A 124 -6.846 -7.198 -1.544 1.00 0.00 C ATOM 1975 CD2 LEU A 124 -7.336 -9.550 -0.836 1.00 0.00 C ATOM 0 H LEU A 124 -9.713 -10.674 -3.145 1.00 0.00 H new ATOM 0 HA LEU A 124 -8.858 -8.714 -4.926 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -8.717 -7.532 -3.069 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -9.288 -8.960 -2.229 1.00 0.00 H new ATOM 0 HG LEU A 124 -6.372 -8.956 -2.632 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -5.930 -7.227 -0.953 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -6.699 -6.552 -2.409 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -7.660 -6.807 -0.933 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -6.414 -9.556 -0.255 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -8.161 -9.225 -0.203 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -7.537 -10.555 -1.207 1.00 0.00 H new ATOM 1987 N SER A 125 -6.519 -10.794 -3.893 1.00 0.00 N ATOM 1988 CA SER A 125 -5.181 -11.294 -4.172 1.00 0.00 C ATOM 1989 C SER A 125 -4.989 -11.476 -5.674 1.00 0.00 C ATOM 1990 O SER A 125 -3.873 -11.374 -6.189 1.00 0.00 O ATOM 1991 CB SER A 125 -4.957 -12.629 -3.458 1.00 0.00 C ATOM 1992 OG SER A 125 -5.877 -13.608 -3.908 1.00 0.00 O ATOM 0 H SER A 125 -7.027 -11.319 -3.181 1.00 0.00 H new ATOM 0 HA SER A 125 -4.456 -10.567 -3.806 1.00 0.00 H new ATOM 0 HB2 SER A 125 -3.938 -12.974 -3.636 1.00 0.00 H new ATOM 0 HB3 SER A 125 -5.064 -12.492 -2.382 1.00 0.00 H new ATOM 0 HG SER A 125 -5.712 -14.452 -3.438 1.00 0.00 H new ATOM 1998 N SER A 126 -6.090 -11.742 -6.373 1.00 0.00 N ATOM 1999 CA SER A 126 -6.046 -11.937 -7.812 1.00 0.00 C ATOM 2000 C SER A 126 -5.586 -10.682 -8.521 1.00 0.00 C ATOM 2001 O SER A 126 -4.534 -10.662 -9.157 1.00 0.00 O ATOM 2002 CB SER A 126 -7.429 -12.330 -8.325 1.00 0.00 C ATOM 2003 OG SER A 126 -7.339 -13.289 -9.365 1.00 0.00 O ATOM 0 H SER A 126 -7.020 -11.826 -5.963 1.00 0.00 H new ATOM 0 HA SER A 126 -5.333 -12.734 -8.022 1.00 0.00 H new ATOM 0 HB2 SER A 126 -8.022 -12.734 -7.505 1.00 0.00 H new ATOM 0 HB3 SER A 126 -7.950 -11.444 -8.688 1.00 0.00 H new ATOM 0 HG SER A 126 -8.239 -13.523 -9.673 1.00 0.00 H new ATOM 2009 N HIS A 127 -6.386 -9.640 -8.407 1.00 0.00 N ATOM 2010 CA HIS A 127 -6.070 -8.382 -9.037 1.00 0.00 C ATOM 2011 C HIS A 127 -4.743 -7.861 -8.518 1.00 0.00 C ATOM 2012 O HIS A 127 -3.999 -7.217 -9.243 1.00 0.00 O ATOM 2013 CB HIS A 127 -7.199 -7.384 -8.800 1.00 0.00 C ATOM 2014 CG HIS A 127 -8.521 -7.902 -9.271 1.00 0.00 C ATOM 2015 ND1 HIS A 127 -8.814 -8.859 -10.184 1.00 0.00 N flip ATOM 2016 CD2 HIS A 127 -9.731 -7.455 -8.787 1.00 0.00 C flip ATOM 2017 CE1 HIS A 127 -10.181 -8.970 -10.234 1.00 0.00 C flip ATOM 2018 NE2 HIS A 127 -10.710 -8.114 -9.381 1.00 0.00 N flip ATOM 0 H HIS A 127 -7.260 -9.644 -7.882 1.00 0.00 H new ATOM 0 HA HIS A 127 -5.973 -8.526 -10.113 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -7.260 -7.153 -7.737 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -6.971 -6.452 -9.317 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -9.859 -6.686 -8.039 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -10.733 -9.648 -10.868 1.00 0.00 H new ATOM 0 HE2 HIS A 127 -11.707 -7.983 -9.209 1.00 0.00 H new ATOM 2027 N VAL A 128 -4.424 -8.175 -7.268 1.00 0.00 N ATOM 2028 CA VAL A 128 -3.155 -7.748 -6.704 1.00 0.00 C ATOM 2029 C VAL A 128 -2.014 -8.269 -7.565 1.00 0.00 C ATOM 2030 O VAL A 128 -1.066 -7.544 -7.858 1.00 0.00 O ATOM 2031 CB VAL A 128 -2.973 -8.232 -5.254 1.00 0.00 C ATOM 2032 CG1 VAL A 128 -1.661 -7.704 -4.674 1.00 0.00 C ATOM 2033 CG2 VAL A 128 -4.160 -7.803 -4.401 1.00 0.00 C ATOM 0 H VAL A 128 -5.017 -8.714 -6.637 1.00 0.00 H new ATOM 0 HA VAL A 128 -3.149 -6.658 -6.690 1.00 0.00 H new ATOM 0 HB VAL A 128 -2.928 -9.321 -5.251 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -1.549 -8.056 -3.648 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -0.826 -8.065 -5.275 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -1.671 -6.614 -4.684 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -4.018 -8.152 -3.378 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -4.238 -6.716 -4.406 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -5.075 -8.234 -4.808 1.00 0.00 H new ATOM 2043 N GLY A 129 -2.121 -9.528 -7.992 1.00 0.00 N ATOM 2044 CA GLY A 129 -1.089 -10.094 -8.840 1.00 0.00 C ATOM 2045 C GLY A 129 -1.235 -9.642 -10.283 1.00 0.00 C ATOM 2046 O GLY A 129 -0.243 -9.370 -10.958 1.00 0.00 O ATOM 0 H GLY A 129 -2.893 -10.156 -7.768 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -0.109 -9.801 -8.465 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -1.136 -11.182 -8.793 1.00 0.00 H new ATOM 2050 N GLN A 130 -2.479 -9.549 -10.748 1.00 0.00 N ATOM 2051 CA GLN A 130 -2.760 -9.110 -12.113 1.00 0.00 C ATOM 2052 C GLN A 130 -2.429 -7.627 -12.274 1.00 0.00 C ATOM 2053 O GLN A 130 -2.167 -7.152 -13.378 1.00 0.00 O ATOM 2054 CB GLN A 130 -4.227 -9.365 -12.463 1.00 0.00 C ATOM 2055 CG GLN A 130 -4.440 -10.586 -13.342 1.00 0.00 C ATOM 2056 CD GLN A 130 -4.428 -10.249 -14.821 1.00 0.00 C ATOM 2057 OE1 GLN A 130 -5.458 -10.312 -15.492 1.00 0.00 O ATOM 2058 NE2 GLN A 130 -3.258 -9.890 -15.336 1.00 0.00 N ATOM 0 H GLN A 130 -3.309 -9.772 -10.199 1.00 0.00 H new ATOM 0 HA GLN A 130 -2.133 -9.683 -12.796 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -4.796 -9.488 -11.541 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -4.628 -8.488 -12.971 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -3.661 -11.319 -13.134 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -5.392 -11.051 -13.087 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -2.430 -9.852 -14.742 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -3.188 -9.653 -16.326 1.00 0.00 H new ATOM 2067 N ILE A 131 -2.422 -6.912 -11.154 1.00 0.00 N ATOM 2068 CA ILE A 131 -2.099 -5.493 -11.139 1.00 0.00 C ATOM 2069 C ILE A 131 -0.596 -5.334 -10.934 1.00 0.00 C ATOM 2070 O ILE A 131 0.015 -4.360 -11.375 1.00 0.00 O ATOM 2071 CB ILE A 131 -2.885 -4.758 -10.032 1.00 0.00 C ATOM 2072 CG1 ILE A 131 -4.380 -4.868 -10.306 1.00 0.00 C ATOM 2073 CG2 ILE A 131 -2.488 -3.292 -9.932 1.00 0.00 C ATOM 2074 CD1 ILE A 131 -5.219 -4.699 -9.069 1.00 0.00 C ATOM 0 H ILE A 131 -2.639 -7.299 -10.236 1.00 0.00 H new ATOM 0 HA ILE A 131 -2.387 -5.046 -12.091 1.00 0.00 H new ATOM 0 HB ILE A 131 -2.643 -5.233 -9.081 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -4.666 -4.113 -11.038 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -4.591 -5.840 -10.752 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -3.065 -2.812 -9.141 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -1.425 -3.218 -9.702 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -2.690 -2.795 -10.881 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -6.274 -4.788 -9.330 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -4.958 -5.470 -8.344 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -5.034 -3.716 -8.635 1.00 0.00 H new ATOM 2086 N LEU A 132 -0.013 -6.335 -10.276 1.00 0.00 N ATOM 2087 CA LEU A 132 1.417 -6.377 -10.008 1.00 0.00 C ATOM 2088 C LEU A 132 2.205 -6.421 -11.314 1.00 0.00 C ATOM 2089 O LEU A 132 3.154 -5.664 -11.509 1.00 0.00 O ATOM 2090 CB LEU A 132 1.743 -7.622 -9.175 1.00 0.00 C ATOM 2091 CG LEU A 132 2.460 -7.361 -7.851 1.00 0.00 C ATOM 2092 CD1 LEU A 132 1.483 -6.833 -6.814 1.00 0.00 C ATOM 2093 CD2 LEU A 132 3.129 -8.637 -7.360 1.00 0.00 C ATOM 0 H LEU A 132 -0.524 -7.140 -9.914 1.00 0.00 H new ATOM 0 HA LEU A 132 1.697 -5.478 -9.458 1.00 0.00 H new ATOM 0 HB2 LEU A 132 0.813 -8.151 -8.966 1.00 0.00 H new ATOM 0 HB3 LEU A 132 2.361 -8.289 -9.777 1.00 0.00 H new ATOM 0 HG LEU A 132 3.229 -6.605 -8.009 1.00 0.00 H new ATOM 0 HD11 LEU A 132 2.010 -6.652 -5.877 1.00 0.00 H new ATOM 0 HD12 LEU A 132 1.044 -5.901 -7.169 1.00 0.00 H new ATOM 0 HD13 LEU A 132 0.694 -7.567 -6.651 1.00 0.00 H new ATOM 0 HD21 LEU A 132 3.637 -8.441 -6.416 1.00 0.00 H new ATOM 0 HD22 LEU A 132 2.375 -9.410 -7.212 1.00 0.00 H new ATOM 0 HD23 LEU A 132 3.855 -8.975 -8.100 1.00 0.00 H new ATOM 2105 N ASP A 133 1.805 -7.325 -12.206 1.00 0.00 N ATOM 2106 CA ASP A 133 2.471 -7.476 -13.496 1.00 0.00 C ATOM 2107 C ASP A 133 2.274 -6.234 -14.355 1.00 0.00 C ATOM 2108 O ASP A 133 3.217 -5.732 -14.966 1.00 0.00 O ATOM 2109 CB ASP A 133 1.940 -8.712 -14.226 1.00 0.00 C ATOM 2110 CG ASP A 133 2.909 -9.876 -14.172 1.00 0.00 C ATOM 2111 OD1 ASP A 133 3.683 -10.051 -15.138 1.00 0.00 O ATOM 2112 OD2 ASP A 133 2.897 -10.612 -13.163 1.00 0.00 O ATOM 0 H ASP A 133 1.023 -7.963 -12.058 1.00 0.00 H new ATOM 0 HA ASP A 133 3.538 -7.604 -13.316 1.00 0.00 H new ATOM 0 HB2 ASP A 133 0.991 -9.012 -13.783 1.00 0.00 H new ATOM 0 HB3 ASP A 133 1.740 -8.458 -15.267 1.00 0.00 H new ATOM 2117 N SER A 134 1.043 -5.742 -14.388 1.00 0.00 N ATOM 2118 CA SER A 134 0.717 -4.551 -15.165 1.00 0.00 C ATOM 2119 C SER A 134 1.323 -3.303 -14.525 1.00 0.00 C ATOM 2120 O SER A 134 1.472 -2.270 -15.175 1.00 0.00 O ATOM 2121 CB SER A 134 -0.799 -4.393 -15.283 1.00 0.00 C ATOM 2122 OG SER A 134 -1.327 -5.261 -16.271 1.00 0.00 O ATOM 0 H SER A 134 0.253 -6.148 -13.886 1.00 0.00 H new ATOM 0 HA SER A 134 1.141 -4.669 -16.162 1.00 0.00 H new ATOM 0 HB2 SER A 134 -1.266 -4.605 -14.321 1.00 0.00 H new ATOM 0 HB3 SER A 134 -1.042 -3.361 -15.534 1.00 0.00 H new ATOM 0 HG SER A 134 -2.298 -5.142 -16.326 1.00 0.00 H new ATOM 2128 N PHE A 135 1.671 -3.413 -13.245 1.00 0.00 N ATOM 2129 CA PHE A 135 2.260 -2.303 -12.510 1.00 0.00 C ATOM 2130 C PHE A 135 3.515 -1.781 -13.209 1.00 0.00 C ATOM 2131 O PHE A 135 3.588 -0.610 -13.583 1.00 0.00 O ATOM 2132 CB PHE A 135 2.601 -2.743 -11.086 1.00 0.00 C ATOM 2133 CG PHE A 135 3.263 -1.676 -10.264 1.00 0.00 C ATOM 2134 CD1 PHE A 135 2.602 -0.494 -9.982 1.00 0.00 C ATOM 2135 CD2 PHE A 135 4.544 -1.860 -9.774 1.00 0.00 C ATOM 2136 CE1 PHE A 135 3.209 0.487 -9.225 1.00 0.00 C ATOM 2137 CE2 PHE A 135 5.157 -0.883 -9.017 1.00 0.00 C ATOM 2138 CZ PHE A 135 4.489 0.292 -8.743 1.00 0.00 C ATOM 0 H PHE A 135 1.553 -4.265 -12.696 1.00 0.00 H new ATOM 0 HA PHE A 135 1.530 -1.494 -12.475 1.00 0.00 H new ATOM 0 HB2 PHE A 135 1.686 -3.059 -10.585 1.00 0.00 H new ATOM 0 HB3 PHE A 135 3.257 -3.613 -11.132 1.00 0.00 H new ATOM 0 HD1 PHE A 135 1.602 -0.338 -10.358 1.00 0.00 H new ATOM 0 HD2 PHE A 135 5.070 -2.779 -9.987 1.00 0.00 H new ATOM 0 HE1 PHE A 135 2.684 1.406 -9.010 1.00 0.00 H new ATOM 0 HE2 PHE A 135 6.157 -1.038 -8.640 1.00 0.00 H new ATOM 0 HZ PHE A 135 4.966 1.059 -8.152 1.00 0.00 H new