USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=30 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 118 ASN : amide:sc= -4.37! C(o=-12!,f=-9.1!) USER MOD Set 1.2: A 127 HIS : no HD1:sc= -7.83! K(o=-12!,f=-9.1) USER MOD Set 2.1: A 21 CYS SG : rot 22:sc= -1.58 USER MOD Set 2.2: A 23 GLN : amide:sc= 0.315 K(o=-1.3,f=-2.5!) USER MOD Set 3.1: A 17 THR OG1 : rot 147:sc= 0.188 USER MOD Set 3.2: A 47 HIS : no HD1:sc= -3.23! C(o=-4.5!,f=-2.7!) USER MOD Set 3.3: A 51 MET CE :methyl -155:sc= -1.43! (180deg=-3.99!) USER MOD Single : A 7 SER OG : rot 119:sc= -2.8! USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -5.47 K(o=-5.5,f=-12!) USER MOD Single : A 19 SER OG : rot -40:sc= -14.8! USER MOD Single : A 20 SER OG : rot 14:sc= -1.63 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= -0.177 X(o=-0.18,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= -2.16! USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 MET CE :methyl -157:sc= -0.498 (180deg=-1.44!) USER MOD Single : A 57 LYS NZ :NH3+ 174:sc= 0.0499 (180deg=0.0415) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 144:sc= -6.33 (180deg=-12.2!) USER MOD Single : A 70 SER OG : rot 65:sc= 0.831 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.166 X(o=-0.17,f=-0.039) USER MOD Single : A 79 CYS SG : rot 42:sc= -2.24 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 45:sc= -6.26! USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= -2.27 K(o=-2.3,f=-4.9!) USER MOD Single : A 89 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00462) USER MOD Single : A 90 THR OG1 : rot 108:sc= 1.2 USER MOD Single : A 92 TYR OH : rot 173:sc= -0.032 USER MOD Single : A 94 CYS SG : rot -130:sc= -8.85! USER MOD Single : A 96 THR OG1 : rot 118:sc= -0.417 USER MOD Single : A 102 LYS NZ :NH3+ 167:sc= 0.0791 (180deg=0.0122) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc= -1.36 K(o=-1.4,f=-5.5!) USER MOD Single : A 115 TYR OH : rot 180:sc= -2.41 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 120 THR OG1 : rot 167:sc= -2.36! USER MOD Single : A 121 ASN : amide:sc= -0.639 K(o=-0.64,f=-0.13) USER MOD Single : A 125 SER OG : rot -174:sc= -0.842 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= -0.431 X(o=-0.43,f=-0.081) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 100 N VAL A 6 3.434 -8.374 -3.352 1.00 0.00 N ATOM 101 CA VAL A 6 2.902 -7.813 -2.116 1.00 0.00 C ATOM 102 C VAL A 6 2.815 -8.884 -1.034 1.00 0.00 C ATOM 103 O VAL A 6 2.346 -9.994 -1.282 1.00 0.00 O ATOM 104 CB VAL A 6 1.521 -7.169 -2.326 1.00 0.00 C ATOM 105 CG1 VAL A 6 1.021 -6.546 -1.036 1.00 0.00 C ATOM 106 CG2 VAL A 6 1.576 -6.128 -3.427 1.00 0.00 C ATOM 0 HA VAL A 6 3.591 -7.032 -1.795 1.00 0.00 H new ATOM 0 HB VAL A 6 0.824 -7.951 -2.626 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.043 -6.096 -1.205 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.939 -7.315 -0.268 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.722 -5.779 -0.707 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.589 -5.685 -3.559 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.290 -5.350 -3.157 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.889 -6.600 -4.358 1.00 0.00 H new ATOM 116 N SER A 7 3.289 -8.549 0.160 1.00 0.00 N ATOM 117 CA SER A 7 3.288 -9.485 1.277 1.00 0.00 C ATOM 118 C SER A 7 1.877 -9.903 1.674 1.00 0.00 C ATOM 119 O SER A 7 1.540 -11.087 1.628 1.00 0.00 O ATOM 120 CB SER A 7 4.012 -8.883 2.484 1.00 0.00 C ATOM 121 OG SER A 7 4.701 -7.698 2.130 1.00 0.00 O ATOM 0 H SER A 7 3.680 -7.633 0.380 1.00 0.00 H new ATOM 0 HA SER A 7 3.818 -10.378 0.946 1.00 0.00 H new ATOM 0 HB2 SER A 7 3.291 -8.666 3.272 1.00 0.00 H new ATOM 0 HB3 SER A 7 4.717 -9.610 2.888 1.00 0.00 H new ATOM 0 HG SER A 7 4.341 -6.945 2.643 1.00 0.00 H new ATOM 127 N TYR A 8 1.057 -8.942 2.090 1.00 0.00 N ATOM 128 CA TYR A 8 -0.302 -9.258 2.515 1.00 0.00 C ATOM 129 C TYR A 8 -1.283 -8.126 2.226 1.00 0.00 C ATOM 130 O TYR A 8 -1.222 -7.073 2.840 1.00 0.00 O ATOM 131 CB TYR A 8 -0.319 -9.566 4.007 1.00 0.00 C ATOM 132 CG TYR A 8 0.854 -10.394 4.490 1.00 0.00 C ATOM 133 CD1 TYR A 8 1.995 -9.788 5.006 1.00 0.00 C ATOM 134 CD2 TYR A 8 0.818 -11.780 4.439 1.00 0.00 C ATOM 135 CE1 TYR A 8 3.062 -10.542 5.454 1.00 0.00 C ATOM 136 CE2 TYR A 8 1.881 -12.541 4.885 1.00 0.00 C ATOM 137 CZ TYR A 8 3.000 -11.918 5.390 1.00 0.00 C ATOM 138 OH TYR A 8 4.059 -12.673 5.838 1.00 0.00 O ATOM 0 H TYR A 8 1.304 -7.954 2.142 1.00 0.00 H new ATOM 0 HA TYR A 8 -0.621 -10.128 1.942 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -0.336 -8.626 4.559 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -1.243 -10.093 4.246 1.00 0.00 H new ATOM 0 HD1 TYR A 8 2.047 -8.710 5.057 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -0.058 -12.273 4.043 1.00 0.00 H new ATOM 0 HE1 TYR A 8 3.940 -10.056 5.852 1.00 0.00 H new ATOM 0 HE2 TYR A 8 1.835 -13.619 4.838 1.00 0.00 H new ATOM 0 HH TYR A 8 3.854 -13.624 5.723 1.00 0.00 H new ATOM 148 N VAL A 9 -2.210 -8.363 1.304 1.00 0.00 N ATOM 149 CA VAL A 9 -3.218 -7.356 0.955 1.00 0.00 C ATOM 150 C VAL A 9 -4.581 -7.704 1.538 1.00 0.00 C ATOM 151 O VAL A 9 -5.295 -8.547 0.999 1.00 0.00 O ATOM 152 CB VAL A 9 -3.384 -7.199 -0.566 1.00 0.00 C ATOM 153 CG1 VAL A 9 -4.142 -5.920 -0.880 1.00 0.00 C ATOM 154 CG2 VAL A 9 -2.036 -7.215 -1.260 1.00 0.00 C ATOM 0 H VAL A 9 -2.288 -9.237 0.785 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.854 -6.420 1.379 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.961 -8.044 -0.942 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.254 -5.819 -1.960 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.127 -5.957 -0.415 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.590 -5.065 -0.491 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.179 -7.103 -2.335 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.425 -6.393 -0.887 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.534 -8.161 -1.058 1.00 0.00 H new ATOM 164 N GLU A 10 -4.944 -7.051 2.633 1.00 0.00 N ATOM 165 CA GLU A 10 -6.228 -7.304 3.273 1.00 0.00 C ATOM 166 C GLU A 10 -7.183 -6.125 3.109 1.00 0.00 C ATOM 167 O GLU A 10 -6.891 -5.011 3.544 1.00 0.00 O ATOM 168 CB GLU A 10 -6.025 -7.612 4.759 1.00 0.00 C ATOM 169 CG GLU A 10 -6.600 -8.951 5.188 1.00 0.00 C ATOM 170 CD GLU A 10 -6.487 -9.184 6.683 1.00 0.00 C ATOM 171 OE1 GLU A 10 -6.122 -8.234 7.407 1.00 0.00 O ATOM 172 OE2 GLU A 10 -6.764 -10.317 7.129 1.00 0.00 O ATOM 0 H GLU A 10 -4.371 -6.345 3.095 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.678 -8.167 2.782 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.958 -7.596 4.982 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.486 -6.822 5.351 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.648 -9.002 4.894 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -6.081 -9.751 4.659 1.00 0.00 H new ATOM 179 N VAL A 11 -8.338 -6.391 2.503 1.00 0.00 N ATOM 180 CA VAL A 11 -9.352 -5.363 2.312 1.00 0.00 C ATOM 181 C VAL A 11 -10.138 -5.195 3.604 1.00 0.00 C ATOM 182 O VAL A 11 -10.097 -6.069 4.467 1.00 0.00 O ATOM 183 CB VAL A 11 -10.319 -5.715 1.158 1.00 0.00 C ATOM 184 CG1 VAL A 11 -11.392 -4.649 1.002 1.00 0.00 C ATOM 185 CG2 VAL A 11 -9.555 -5.895 -0.143 1.00 0.00 C ATOM 0 H VAL A 11 -8.592 -7.309 2.137 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.848 -4.433 2.048 1.00 0.00 H new ATOM 0 HB VAL A 11 -10.810 -6.656 1.405 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -12.059 -4.921 0.184 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.965 -4.571 1.926 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -10.923 -3.690 0.784 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -10.252 -6.142 -0.943 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.033 -4.970 -0.389 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -8.831 -6.702 -0.031 1.00 0.00 H new ATOM 195 N ILE A 12 -10.832 -4.077 3.754 1.00 0.00 N ATOM 196 CA ILE A 12 -11.592 -3.830 4.972 1.00 0.00 C ATOM 197 C ILE A 12 -12.908 -3.117 4.695 1.00 0.00 C ATOM 198 O ILE A 12 -12.924 -1.955 4.302 1.00 0.00 O ATOM 199 CB ILE A 12 -10.764 -2.989 5.961 1.00 0.00 C ATOM 200 CG1 ILE A 12 -9.582 -3.799 6.492 1.00 0.00 C ATOM 201 CG2 ILE A 12 -11.626 -2.497 7.108 1.00 0.00 C ATOM 202 CD1 ILE A 12 -8.267 -3.409 5.869 1.00 0.00 C ATOM 0 H ILE A 12 -10.886 -3.334 3.057 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.817 -4.805 5.405 1.00 0.00 H new ATOM 0 HB ILE A 12 -10.380 -2.120 5.428 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.517 -3.669 7.572 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.764 -4.858 6.308 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -11.018 -1.906 7.793 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -12.435 -1.881 6.717 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -12.045 -3.351 7.640 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -7.469 -4.022 6.289 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -8.315 -3.565 4.791 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.064 -2.358 6.075 1.00 0.00 H new ATOM 214 N LYS A 13 -14.014 -3.809 4.930 1.00 0.00 N ATOM 215 CA LYS A 13 -15.332 -3.214 4.726 1.00 0.00 C ATOM 216 C LYS A 13 -15.920 -2.727 6.048 1.00 0.00 C ATOM 217 O LYS A 13 -16.292 -3.527 6.906 1.00 0.00 O ATOM 218 CB LYS A 13 -16.291 -4.215 4.073 1.00 0.00 C ATOM 219 CG LYS A 13 -16.867 -3.731 2.751 1.00 0.00 C ATOM 220 CD LYS A 13 -17.738 -4.794 2.096 1.00 0.00 C ATOM 221 CE LYS A 13 -19.104 -4.243 1.722 1.00 0.00 C ATOM 222 NZ LYS A 13 -20.157 -5.296 1.763 1.00 0.00 N ATOM 0 H LYS A 13 -14.028 -4.774 5.259 1.00 0.00 H new ATOM 0 HA LYS A 13 -15.207 -2.361 4.059 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -15.765 -5.155 3.908 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -17.109 -4.424 4.762 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -17.456 -2.830 2.919 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -16.054 -3.460 2.077 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -17.241 -5.174 1.203 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -17.859 -5.637 2.776 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -19.370 -3.437 2.405 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -19.060 -3.812 0.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -21.074 -4.880 1.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -19.917 -6.054 1.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -20.217 -5.690 2.724 1.00 0.00 H new ATOM 236 N ASN A 14 -16.010 -1.407 6.203 1.00 0.00 N ATOM 237 CA ASN A 14 -16.562 -0.814 7.417 1.00 0.00 C ATOM 238 C ASN A 14 -15.729 -1.185 8.638 1.00 0.00 C ATOM 239 O ASN A 14 -16.267 -1.382 9.729 1.00 0.00 O ATOM 240 CB ASN A 14 -18.003 -1.282 7.623 1.00 0.00 C ATOM 241 CG ASN A 14 -18.847 -1.141 6.372 1.00 0.00 C ATOM 242 OD1 ASN A 14 -18.438 -1.547 5.284 1.00 0.00 O ATOM 243 ND2 ASN A 14 -20.031 -0.560 6.521 1.00 0.00 N ATOM 0 H ASN A 14 -15.708 -0.730 5.503 1.00 0.00 H new ATOM 0 HA ASN A 14 -16.542 0.269 7.299 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -18.000 -2.325 7.939 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -18.456 -0.706 8.429 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -20.643 -0.435 5.714 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -20.329 -0.239 7.442 1.00 0.00 H new ATOM 250 N GLY A 15 -14.423 -1.302 8.449 1.00 0.00 N ATOM 251 CA GLY A 15 -13.556 -1.672 9.545 1.00 0.00 C ATOM 252 C GLY A 15 -13.627 -3.156 9.815 1.00 0.00 C ATOM 253 O GLY A 15 -13.377 -3.611 10.931 1.00 0.00 O ATOM 0 H GLY A 15 -13.950 -1.148 7.558 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -12.529 -1.390 9.312 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -13.842 -1.122 10.441 1.00 0.00 H new ATOM 257 N GLU A 16 -13.970 -3.910 8.777 1.00 0.00 N ATOM 258 CA GLU A 16 -14.077 -5.354 8.881 1.00 0.00 C ATOM 259 C GLU A 16 -13.474 -6.008 7.650 1.00 0.00 C ATOM 260 O GLU A 16 -13.970 -5.839 6.536 1.00 0.00 O ATOM 261 CB GLU A 16 -15.538 -5.777 9.043 1.00 0.00 C ATOM 262 CG GLU A 16 -16.149 -5.365 10.373 1.00 0.00 C ATOM 263 CD GLU A 16 -15.642 -6.203 11.531 1.00 0.00 C ATOM 264 OE1 GLU A 16 -15.317 -5.621 12.587 1.00 0.00 O ATOM 265 OE2 GLU A 16 -15.572 -7.441 11.382 1.00 0.00 O ATOM 0 H GLU A 16 -14.179 -3.539 7.850 1.00 0.00 H new ATOM 0 HA GLU A 16 -13.526 -5.681 9.763 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -16.125 -5.343 8.234 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -15.607 -6.860 8.941 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -15.924 -4.315 10.563 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -17.234 -5.453 10.313 1.00 0.00 H new ATOM 272 N THR A 17 -12.386 -6.735 7.853 1.00 0.00 N ATOM 273 CA THR A 17 -11.692 -7.395 6.757 1.00 0.00 C ATOM 274 C THR A 17 -12.650 -8.194 5.872 1.00 0.00 C ATOM 275 O THR A 17 -13.453 -8.990 6.362 1.00 0.00 O ATOM 276 CB THR A 17 -10.600 -8.315 7.302 1.00 0.00 C ATOM 277 OG1 THR A 17 -10.222 -7.924 8.612 1.00 0.00 O ATOM 278 CG2 THR A 17 -9.354 -8.328 6.445 1.00 0.00 C ATOM 0 H THR A 17 -11.963 -6.883 8.769 1.00 0.00 H new ATOM 0 HA THR A 17 -11.241 -6.617 6.141 1.00 0.00 H new ATOM 0 HB THR A 17 -11.033 -9.315 7.302 1.00 0.00 H new ATOM 0 HG1 THR A 17 -9.967 -8.716 9.129 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.617 -9.000 6.885 1.00 0.00 H new ATOM 0 HG22 THR A 17 -9.606 -8.673 5.442 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.940 -7.321 6.389 1.00 0.00 H new ATOM 286 N ILE A 18 -12.539 -7.983 4.563 1.00 0.00 N ATOM 287 CA ILE A 18 -13.372 -8.685 3.588 1.00 0.00 C ATOM 288 C ILE A 18 -12.514 -9.606 2.740 1.00 0.00 C ATOM 289 O ILE A 18 -12.848 -10.767 2.508 1.00 0.00 O ATOM 290 CB ILE A 18 -14.108 -7.717 2.629 1.00 0.00 C ATOM 291 CG1 ILE A 18 -13.765 -6.263 2.946 1.00 0.00 C ATOM 292 CG2 ILE A 18 -15.609 -7.942 2.684 1.00 0.00 C ATOM 293 CD1 ILE A 18 -14.346 -5.279 1.953 1.00 0.00 C ATOM 0 H ILE A 18 -11.876 -7.327 4.150 1.00 0.00 H new ATOM 0 HA ILE A 18 -14.112 -9.244 4.161 1.00 0.00 H new ATOM 0 HB ILE A 18 -13.769 -7.927 1.615 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -14.131 -6.020 3.944 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -12.681 -6.149 2.968 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -16.106 -7.251 2.003 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -15.834 -8.967 2.390 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -15.966 -7.769 3.699 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -14.064 -4.265 2.238 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -13.960 -5.497 0.957 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -15.433 -5.366 1.948 1.00 0.00 H new ATOM 305 N SER A 19 -11.407 -9.054 2.265 1.00 0.00 N ATOM 306 CA SER A 19 -10.480 -9.797 1.415 1.00 0.00 C ATOM 307 C SER A 19 -9.104 -9.913 2.067 1.00 0.00 C ATOM 308 O SER A 19 -8.845 -9.297 3.100 1.00 0.00 O ATOM 309 CB SER A 19 -10.375 -9.119 0.045 1.00 0.00 C ATOM 310 OG SER A 19 -9.054 -8.681 -0.226 1.00 0.00 O ATOM 0 H SER A 19 -11.126 -8.092 2.453 1.00 0.00 H new ATOM 0 HA SER A 19 -10.867 -10.807 1.283 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.693 -9.816 -0.731 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.055 -8.268 0.008 1.00 0.00 H new ATOM 0 HG SER A 19 -8.661 -8.304 0.589 1.00 0.00 H new ATOM 316 N SER A 20 -8.221 -10.711 1.460 1.00 0.00 N ATOM 317 CA SER A 20 -6.878 -10.897 2.002 1.00 0.00 C ATOM 318 C SER A 20 -5.963 -11.649 1.034 1.00 0.00 C ATOM 319 O SER A 20 -6.277 -12.756 0.594 1.00 0.00 O ATOM 320 CB SER A 20 -6.950 -11.652 3.329 1.00 0.00 C ATOM 321 OG SER A 20 -7.262 -13.019 3.122 1.00 0.00 O ATOM 0 H SER A 20 -8.411 -11.232 0.604 1.00 0.00 H new ATOM 0 HA SER A 20 -6.452 -9.906 2.159 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.997 -11.568 3.851 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.705 -11.196 3.970 1.00 0.00 H new ATOM 0 HG SER A 20 -7.145 -13.242 2.175 1.00 0.00 H new ATOM 327 N CYS A 21 -4.813 -11.045 0.739 1.00 0.00 N ATOM 328 CA CYS A 21 -3.817 -11.651 -0.141 1.00 0.00 C ATOM 329 C CYS A 21 -2.578 -11.977 0.678 1.00 0.00 C ATOM 330 O CYS A 21 -1.540 -11.329 0.543 1.00 0.00 O ATOM 331 CB CYS A 21 -3.454 -10.699 -1.288 1.00 0.00 C ATOM 332 SG CYS A 21 -2.035 -11.223 -2.285 1.00 0.00 S ATOM 0 H CYS A 21 -4.547 -10.129 1.100 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.227 -12.562 -0.577 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -4.320 -10.592 -1.941 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.245 -9.714 -0.872 1.00 0.00 H new ATOM 0 HG CYS A 21 -1.867 -12.506 -2.161 1.00 0.00 H new ATOM 338 N PHE A 22 -2.707 -12.963 1.555 1.00 0.00 N ATOM 339 CA PHE A 22 -1.615 -13.357 2.427 1.00 0.00 C ATOM 340 C PHE A 22 -0.993 -14.665 1.962 1.00 0.00 C ATOM 341 O PHE A 22 -1.420 -15.749 2.360 1.00 0.00 O ATOM 342 CB PHE A 22 -2.123 -13.463 3.872 1.00 0.00 C ATOM 343 CG PHE A 22 -2.531 -12.127 4.437 1.00 0.00 C ATOM 344 CD1 PHE A 22 -3.383 -11.298 3.722 1.00 0.00 C ATOM 345 CD2 PHE A 22 -2.040 -11.680 5.657 1.00 0.00 C ATOM 346 CE1 PHE A 22 -3.736 -10.057 4.204 1.00 0.00 C ATOM 347 CE2 PHE A 22 -2.398 -10.432 6.147 1.00 0.00 C ATOM 348 CZ PHE A 22 -3.245 -9.622 5.413 1.00 0.00 C ATOM 0 H PHE A 22 -3.562 -13.505 1.680 1.00 0.00 H new ATOM 0 HA PHE A 22 -0.835 -12.596 2.387 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.973 -14.144 3.906 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.343 -13.896 4.498 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -3.776 -11.631 2.773 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.374 -12.309 6.229 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.399 -9.425 3.632 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.016 -10.094 7.099 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.521 -8.648 5.789 1.00 0.00 H new ATOM 358 N GLN A 23 0.022 -14.551 1.106 1.00 0.00 N ATOM 359 CA GLN A 23 0.702 -15.726 0.573 1.00 0.00 C ATOM 360 C GLN A 23 2.118 -15.853 1.134 1.00 0.00 C ATOM 361 O GLN A 23 2.829 -14.858 1.277 1.00 0.00 O ATOM 362 CB GLN A 23 0.752 -15.661 -0.954 1.00 0.00 C ATOM 363 CG GLN A 23 -0.537 -16.106 -1.628 1.00 0.00 C ATOM 364 CD GLN A 23 -1.298 -14.953 -2.252 1.00 0.00 C ATOM 365 OE1 GLN A 23 -2.227 -14.409 -1.654 1.00 0.00 O ATOM 366 NE2 GLN A 23 -0.907 -14.573 -3.463 1.00 0.00 N ATOM 0 H GLN A 23 0.389 -13.661 0.769 1.00 0.00 H new ATOM 0 HA GLN A 23 0.135 -16.605 0.879 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.976 -14.639 -1.258 1.00 0.00 H new ATOM 0 HB3 GLN A 23 1.572 -16.286 -1.309 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.305 -16.842 -2.398 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.173 -16.602 -0.895 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -0.132 -15.052 -3.922 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -1.381 -13.802 -3.934 1.00 0.00 H new ATOM 587 N ASN A 38 10.026 -13.195 9.021 1.00 0.00 N ATOM 588 CA ASN A 38 8.750 -12.509 8.833 1.00 0.00 C ATOM 589 C ASN A 38 7.689 -13.447 8.273 1.00 0.00 C ATOM 590 O ASN A 38 6.803 -13.022 7.528 1.00 0.00 O ATOM 591 CB ASN A 38 8.928 -11.308 7.903 1.00 0.00 C ATOM 592 CG ASN A 38 10.169 -10.500 8.228 1.00 0.00 C ATOM 593 OD1 ASN A 38 11.138 -10.498 7.469 1.00 0.00 O ATOM 594 ND2 ASN A 38 10.144 -9.808 9.361 1.00 0.00 N ATOM 0 HA ASN A 38 8.412 -12.163 9.810 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.985 -11.657 6.872 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.051 -10.665 7.974 1.00 0.00 H new ATOM 0 HD21 ASN A 38 10.950 -9.245 9.633 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.319 -9.839 9.960 1.00 0.00 H new ATOM 601 N GLU A 39 7.771 -14.722 8.638 1.00 0.00 N ATOM 602 CA GLU A 39 6.802 -15.709 8.172 1.00 0.00 C ATOM 603 C GLU A 39 6.169 -16.440 9.351 1.00 0.00 C ATOM 604 O GLU A 39 5.712 -17.577 9.223 1.00 0.00 O ATOM 605 CB GLU A 39 7.447 -16.710 7.203 1.00 0.00 C ATOM 606 CG GLU A 39 8.954 -16.558 7.053 1.00 0.00 C ATOM 607 CD GLU A 39 9.723 -17.200 8.190 1.00 0.00 C ATOM 608 OE1 GLU A 39 9.829 -16.572 9.264 1.00 0.00 O ATOM 609 OE2 GLU A 39 10.218 -18.333 8.009 1.00 0.00 O ATOM 0 H GLU A 39 8.495 -15.096 9.252 1.00 0.00 H new ATOM 0 HA GLU A 39 6.019 -15.176 7.632 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.228 -17.721 7.546 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.983 -16.599 6.223 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.268 -17.005 6.110 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.205 -15.498 7.003 1.00 0.00 H new ATOM 616 N GLN A 40 6.131 -15.766 10.494 1.00 0.00 N ATOM 617 CA GLN A 40 5.538 -16.323 11.705 1.00 0.00 C ATOM 618 C GLN A 40 4.413 -15.417 12.192 1.00 0.00 C ATOM 619 O GLN A 40 4.130 -15.334 13.388 1.00 0.00 O ATOM 620 CB GLN A 40 6.597 -16.483 12.799 1.00 0.00 C ATOM 621 CG GLN A 40 7.492 -17.697 12.609 1.00 0.00 C ATOM 622 CD GLN A 40 8.587 -17.784 13.654 1.00 0.00 C ATOM 623 OE1 GLN A 40 8.756 -18.814 14.306 1.00 0.00 O ATOM 624 NE2 GLN A 40 9.337 -16.700 13.818 1.00 0.00 N ATOM 0 H GLN A 40 6.507 -14.825 10.608 1.00 0.00 H new ATOM 0 HA GLN A 40 5.131 -17.308 11.475 1.00 0.00 H new ATOM 0 HB2 GLN A 40 7.216 -15.587 12.827 1.00 0.00 H new ATOM 0 HB3 GLN A 40 6.100 -16.557 13.766 1.00 0.00 H new ATOM 0 HG2 GLN A 40 6.885 -18.601 12.649 1.00 0.00 H new ATOM 0 HG3 GLN A 40 7.943 -17.659 11.618 1.00 0.00 H new ATOM 0 HE21 GLN A 40 9.161 -15.868 13.255 1.00 0.00 H new ATOM 0 HE22 GLN A 40 10.089 -16.700 14.507 1.00 0.00 H new ATOM 633 N ILE A 41 3.786 -14.732 11.244 1.00 0.00 N ATOM 634 CA ILE A 41 2.698 -13.811 11.529 1.00 0.00 C ATOM 635 C ILE A 41 1.456 -14.186 10.720 1.00 0.00 C ATOM 636 O ILE A 41 1.502 -14.247 9.492 1.00 0.00 O ATOM 637 CB ILE A 41 3.125 -12.370 11.205 1.00 0.00 C ATOM 638 CG1 ILE A 41 4.356 -11.992 12.042 1.00 0.00 C ATOM 639 CG2 ILE A 41 1.979 -11.397 11.445 1.00 0.00 C ATOM 640 CD1 ILE A 41 4.324 -10.580 12.593 1.00 0.00 C ATOM 0 H ILE A 41 4.020 -14.801 10.254 1.00 0.00 H new ATOM 0 HA ILE A 41 2.456 -13.877 12.590 1.00 0.00 H new ATOM 0 HB ILE A 41 3.390 -12.310 10.149 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.445 -12.692 12.873 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.249 -12.110 11.428 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.306 -10.384 11.209 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.136 -11.664 10.808 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.674 -11.445 12.490 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.229 -10.394 13.171 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.268 -9.869 11.769 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.452 -10.460 13.236 1.00 0.00 H new ATOM 652 N THR A 42 0.350 -14.442 11.416 1.00 0.00 N ATOM 653 CA THR A 42 -0.897 -14.817 10.763 1.00 0.00 C ATOM 654 C THR A 42 -1.643 -13.579 10.291 1.00 0.00 C ATOM 655 O THR A 42 -1.526 -12.511 10.892 1.00 0.00 O ATOM 656 CB THR A 42 -1.782 -15.620 11.725 1.00 0.00 C ATOM 657 OG1 THR A 42 -2.970 -16.050 11.087 1.00 0.00 O ATOM 658 CG2 THR A 42 -2.182 -14.849 12.961 1.00 0.00 C ATOM 0 H THR A 42 0.295 -14.396 12.433 1.00 0.00 H new ATOM 0 HA THR A 42 -0.658 -15.436 9.899 1.00 0.00 H new ATOM 0 HB THR A 42 -1.169 -16.469 12.027 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.515 -16.561 11.721 1.00 0.00 H new ATOM 0 HG21 THR A 42 -2.806 -15.478 13.596 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.288 -14.553 13.510 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.740 -13.959 12.670 1.00 0.00 H new ATOM 666 N PRO A 43 -2.442 -13.703 9.216 1.00 0.00 N ATOM 667 CA PRO A 43 -3.221 -12.581 8.687 1.00 0.00 C ATOM 668 C PRO A 43 -3.925 -11.808 9.800 1.00 0.00 C ATOM 669 O PRO A 43 -4.255 -10.637 9.642 1.00 0.00 O ATOM 670 CB PRO A 43 -4.237 -13.266 7.774 1.00 0.00 C ATOM 671 CG PRO A 43 -3.546 -14.503 7.309 1.00 0.00 C ATOM 672 CD PRO A 43 -2.659 -14.942 8.443 1.00 0.00 C ATOM 0 HA PRO A 43 -2.603 -11.844 8.174 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -5.156 -13.502 8.310 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.512 -12.626 6.936 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -4.268 -15.280 7.056 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -2.961 -14.307 6.411 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.135 -15.714 9.048 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -1.719 -15.357 8.079 1.00 0.00 H new ATOM 680 N VAL A 44 -4.133 -12.485 10.928 1.00 0.00 N ATOM 681 CA VAL A 44 -4.778 -11.898 12.093 1.00 0.00 C ATOM 682 C VAL A 44 -3.917 -10.801 12.700 1.00 0.00 C ATOM 683 O VAL A 44 -4.420 -9.737 13.037 1.00 0.00 O ATOM 684 CB VAL A 44 -5.030 -12.979 13.144 1.00 0.00 C ATOM 685 CG1 VAL A 44 -5.432 -12.388 14.481 1.00 0.00 C ATOM 686 CG2 VAL A 44 -6.067 -13.977 12.654 1.00 0.00 C ATOM 0 H VAL A 44 -3.857 -13.458 11.056 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.724 -11.462 11.772 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.090 -13.508 13.298 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.601 -13.191 15.198 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.636 -11.738 14.845 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.348 -11.809 14.362 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.230 -14.737 13.418 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.004 -13.458 12.452 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.711 -14.452 11.740 1.00 0.00 H new ATOM 696 N ILE A 45 -2.613 -11.052 12.842 1.00 0.00 N ATOM 697 CA ILE A 45 -1.724 -10.046 13.404 1.00 0.00 C ATOM 698 C ILE A 45 -1.779 -8.793 12.546 1.00 0.00 C ATOM 699 O ILE A 45 -1.673 -7.672 13.044 1.00 0.00 O ATOM 700 CB ILE A 45 -0.277 -10.564 13.522 1.00 0.00 C ATOM 701 CG1 ILE A 45 -0.160 -11.530 14.700 1.00 0.00 C ATOM 702 CG2 ILE A 45 0.718 -9.423 13.672 1.00 0.00 C ATOM 703 CD1 ILE A 45 -0.091 -12.974 14.280 1.00 0.00 C ATOM 0 H ILE A 45 -2.161 -11.928 12.580 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.061 -9.812 14.414 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.035 -11.092 12.600 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.732 -11.283 15.276 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.015 -11.391 15.361 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.727 -9.828 13.752 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.657 -8.770 12.801 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.484 -8.852 14.570 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.009 -13.606 15.164 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.994 -13.236 13.729 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.780 -13.126 13.643 1.00 0.00 H new ATOM 715 N PHE A 46 -1.993 -8.998 11.253 1.00 0.00 N ATOM 716 CA PHE A 46 -2.118 -7.898 10.319 1.00 0.00 C ATOM 717 C PHE A 46 -3.535 -7.351 10.383 1.00 0.00 C ATOM 718 O PHE A 46 -3.745 -6.141 10.402 1.00 0.00 O ATOM 719 CB PHE A 46 -1.826 -8.356 8.890 1.00 0.00 C ATOM 720 CG PHE A 46 -0.529 -9.092 8.722 1.00 0.00 C ATOM 721 CD1 PHE A 46 0.608 -8.425 8.301 1.00 0.00 C ATOM 722 CD2 PHE A 46 -0.453 -10.453 8.966 1.00 0.00 C ATOM 723 CE1 PHE A 46 1.800 -9.103 8.128 1.00 0.00 C ATOM 724 CE2 PHE A 46 0.735 -11.135 8.795 1.00 0.00 C ATOM 725 CZ PHE A 46 1.862 -10.461 8.375 1.00 0.00 C ATOM 0 H PHE A 46 -2.083 -9.922 10.830 1.00 0.00 H new ATOM 0 HA PHE A 46 -1.397 -7.128 10.592 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -2.640 -9.000 8.555 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.821 -7.483 8.237 1.00 0.00 H new ATOM 0 HD1 PHE A 46 0.564 -7.364 8.106 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.333 -10.987 9.294 1.00 0.00 H new ATOM 0 HE1 PHE A 46 2.682 -8.572 7.800 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.782 -12.196 8.990 1.00 0.00 H new ATOM 0 HZ PHE A 46 2.792 -10.994 8.239 1.00 0.00 H new ATOM 735 N HIS A 47 -4.505 -8.266 10.423 1.00 0.00 N ATOM 736 CA HIS A 47 -5.910 -7.886 10.482 1.00 0.00 C ATOM 737 C HIS A 47 -6.197 -7.115 11.765 1.00 0.00 C ATOM 738 O HIS A 47 -7.081 -6.265 11.803 1.00 0.00 O ATOM 739 CB HIS A 47 -6.804 -9.137 10.363 1.00 0.00 C ATOM 740 CG HIS A 47 -7.806 -9.318 11.467 1.00 0.00 C ATOM 741 ND1 HIS A 47 -9.148 -9.542 11.240 1.00 0.00 N ATOM 742 CD2 HIS A 47 -7.651 -9.321 12.811 1.00 0.00 C ATOM 743 CE1 HIS A 47 -9.774 -9.676 12.397 1.00 0.00 C ATOM 744 NE2 HIS A 47 -8.887 -9.547 13.366 1.00 0.00 N ATOM 0 H HIS A 47 -4.340 -9.273 10.415 1.00 0.00 H new ATOM 0 HA HIS A 47 -6.138 -7.229 9.642 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -7.338 -9.093 9.414 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -6.164 -10.019 10.328 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -6.726 -9.173 13.348 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -10.830 -9.860 12.527 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -9.087 -9.606 14.365 1.00 0.00 H new ATOM 753 N ASN A 48 -5.432 -7.412 12.807 1.00 0.00 N ATOM 754 CA ASN A 48 -5.597 -6.745 14.086 1.00 0.00 C ATOM 755 C ASN A 48 -4.716 -5.512 14.131 1.00 0.00 C ATOM 756 O ASN A 48 -5.043 -4.523 14.780 1.00 0.00 O ATOM 757 CB ASN A 48 -5.257 -7.691 15.240 1.00 0.00 C ATOM 758 CG ASN A 48 -6.284 -7.638 16.352 1.00 0.00 C ATOM 759 OD1 ASN A 48 -6.197 -6.808 17.256 1.00 0.00 O ATOM 760 ND2 ASN A 48 -7.269 -8.528 16.290 1.00 0.00 N ATOM 0 H ASN A 48 -4.690 -8.112 12.789 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.639 -6.445 14.196 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.188 -8.711 14.862 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.277 -7.432 15.641 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -7.991 -8.540 17.010 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -7.303 -9.199 15.522 1.00 0.00 H new ATOM 767 N LEU A 49 -3.613 -5.563 13.392 1.00 0.00 N ATOM 768 CA LEU A 49 -2.713 -4.430 13.297 1.00 0.00 C ATOM 769 C LEU A 49 -3.485 -3.299 12.663 1.00 0.00 C ATOM 770 O LEU A 49 -3.713 -2.248 13.256 1.00 0.00 O ATOM 771 CB LEU A 49 -1.513 -4.788 12.420 1.00 0.00 C ATOM 772 CG LEU A 49 -0.212 -5.056 13.162 1.00 0.00 C ATOM 773 CD1 LEU A 49 0.959 -4.974 12.201 1.00 0.00 C ATOM 774 CD2 LEU A 49 -0.044 -4.065 14.298 1.00 0.00 C ATOM 0 H LEU A 49 -3.325 -6.379 12.852 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.344 -4.147 14.283 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.765 -5.672 11.834 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.347 -3.975 11.714 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.243 -6.060 13.585 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.886 -5.167 12.740 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.836 -5.717 11.413 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.997 -3.979 11.758 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.890 -4.267 14.822 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.024 -3.052 13.897 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.878 -4.163 14.993 1.00 0.00 H new ATOM 786 N ILE A 50 -3.928 -3.582 11.454 1.00 0.00 N ATOM 787 CA ILE A 50 -4.747 -2.665 10.676 1.00 0.00 C ATOM 788 C ILE A 50 -5.936 -2.203 11.510 1.00 0.00 C ATOM 789 O ILE A 50 -6.099 -1.021 11.810 1.00 0.00 O ATOM 790 CB ILE A 50 -5.309 -3.375 9.426 1.00 0.00 C ATOM 791 CG1 ILE A 50 -4.212 -4.073 8.636 1.00 0.00 C ATOM 792 CG2 ILE A 50 -6.083 -2.414 8.538 1.00 0.00 C ATOM 793 CD1 ILE A 50 -4.671 -5.402 8.084 1.00 0.00 C ATOM 0 H ILE A 50 -3.730 -4.462 10.977 1.00 0.00 H new ATOM 0 HA ILE A 50 -4.123 -1.820 10.384 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.003 -4.138 9.780 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.891 -3.431 7.816 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.345 -4.227 9.278 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.464 -2.949 7.668 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.917 -1.992 9.099 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.424 -1.610 8.210 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.857 -5.866 7.527 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.967 -6.055 8.905 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.522 -5.246 7.420 1.00 0.00 H new ATOM 805 N MET A 51 -6.766 -3.177 11.857 1.00 0.00 N ATOM 806 CA MET A 51 -7.975 -2.967 12.637 1.00 0.00 C ATOM 807 C MET A 51 -7.732 -2.174 13.923 1.00 0.00 C ATOM 808 O MET A 51 -8.526 -1.304 14.283 1.00 0.00 O ATOM 809 CB MET A 51 -8.568 -4.337 12.974 1.00 0.00 C ATOM 810 CG MET A 51 -10.026 -4.290 13.401 1.00 0.00 C ATOM 811 SD MET A 51 -11.068 -5.439 12.475 1.00 0.00 S ATOM 812 CE MET A 51 -10.265 -5.423 10.873 1.00 0.00 C ATOM 0 H MET A 51 -6.614 -4.152 11.599 1.00 0.00 H new ATOM 0 HA MET A 51 -8.664 -2.371 12.038 1.00 0.00 H new ATOM 0 HB2 MET A 51 -8.476 -4.986 12.103 1.00 0.00 H new ATOM 0 HB3 MET A 51 -7.980 -4.790 13.773 1.00 0.00 H new ATOM 0 HG2 MET A 51 -10.095 -4.521 14.464 1.00 0.00 H new ATOM 0 HG3 MET A 51 -10.405 -3.277 13.269 1.00 0.00 H new ATOM 0 HE1 MET A 51 -10.986 -5.695 10.102 1.00 0.00 H new ATOM 0 HE2 MET A 51 -9.877 -4.425 10.671 1.00 0.00 H new ATOM 0 HE3 MET A 51 -9.443 -6.139 10.871 1.00 0.00 H new ATOM 822 N ASP A 52 -6.662 -2.505 14.632 1.00 0.00 N ATOM 823 CA ASP A 52 -6.346 -1.849 15.902 1.00 0.00 C ATOM 824 C ASP A 52 -5.449 -0.620 15.748 1.00 0.00 C ATOM 825 O ASP A 52 -5.316 0.169 16.683 1.00 0.00 O ATOM 826 CB ASP A 52 -5.682 -2.847 16.851 1.00 0.00 C ATOM 827 CG ASP A 52 -5.803 -2.435 18.304 1.00 0.00 C ATOM 828 OD1 ASP A 52 -6.843 -2.740 18.924 1.00 0.00 O ATOM 829 OD2 ASP A 52 -4.859 -1.802 18.822 1.00 0.00 O ATOM 0 H ASP A 52 -5.995 -3.224 14.353 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.294 -1.499 16.311 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.136 -3.829 16.716 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.628 -2.945 16.591 1.00 0.00 H new ATOM 834 N MET A 53 -4.806 -0.463 14.595 1.00 0.00 N ATOM 835 CA MET A 53 -3.907 0.670 14.387 1.00 0.00 C ATOM 836 C MET A 53 -4.295 1.503 13.168 1.00 0.00 C ATOM 837 O MET A 53 -4.738 2.643 13.300 1.00 0.00 O ATOM 838 CB MET A 53 -2.467 0.176 14.234 1.00 0.00 C ATOM 839 CG MET A 53 -1.967 -0.621 15.427 1.00 0.00 C ATOM 840 SD MET A 53 -1.540 0.426 16.831 1.00 0.00 S ATOM 841 CE MET A 53 -0.288 1.478 16.098 1.00 0.00 C ATOM 0 H MET A 53 -4.888 -1.096 13.799 1.00 0.00 H new ATOM 0 HA MET A 53 -3.990 1.311 15.264 1.00 0.00 H new ATOM 0 HB2 MET A 53 -2.397 -0.443 13.339 1.00 0.00 H new ATOM 0 HB3 MET A 53 -1.812 1.034 14.080 1.00 0.00 H new ATOM 0 HG2 MET A 53 -2.734 -1.334 15.730 1.00 0.00 H new ATOM 0 HG3 MET A 53 -1.092 -1.200 15.131 1.00 0.00 H new ATOM 0 HE1 MET A 53 0.352 1.883 16.882 1.00 0.00 H new ATOM 0 HE2 MET A 53 0.315 0.895 15.402 1.00 0.00 H new ATOM 0 HE3 MET A 53 -0.769 2.297 15.563 1.00 0.00 H new ATOM 851 N VAL A 54 -4.108 0.935 11.984 1.00 0.00 N ATOM 852 CA VAL A 54 -4.420 1.632 10.743 1.00 0.00 C ATOM 853 C VAL A 54 -5.845 2.184 10.748 1.00 0.00 C ATOM 854 O VAL A 54 -6.064 3.360 10.470 1.00 0.00 O ATOM 855 CB VAL A 54 -4.243 0.706 9.525 1.00 0.00 C ATOM 856 CG1 VAL A 54 -4.673 1.405 8.244 1.00 0.00 C ATOM 857 CG2 VAL A 54 -2.803 0.231 9.426 1.00 0.00 C ATOM 0 H VAL A 54 -3.741 -0.008 11.857 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.721 2.465 10.669 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.884 -0.165 9.661 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.538 0.730 7.399 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.723 1.688 8.319 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.066 2.298 8.096 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.694 -0.422 8.560 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.143 1.091 9.317 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.538 -0.317 10.330 1.00 0.00 H new ATOM 867 N LEU A 55 -6.803 1.323 11.056 1.00 0.00 N ATOM 868 CA LEU A 55 -8.206 1.717 11.087 1.00 0.00 C ATOM 869 C LEU A 55 -8.431 2.927 11.986 1.00 0.00 C ATOM 870 O LEU A 55 -8.903 3.967 11.530 1.00 0.00 O ATOM 871 CB LEU A 55 -9.071 0.549 11.532 1.00 0.00 C ATOM 872 CG LEU A 55 -9.485 -0.388 10.399 1.00 0.00 C ATOM 873 CD1 LEU A 55 -10.649 0.191 9.619 1.00 0.00 C ATOM 874 CD2 LEU A 55 -8.313 -0.664 9.470 1.00 0.00 C ATOM 0 H LEU A 55 -6.635 0.344 11.289 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.495 2.004 10.076 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.529 -0.025 12.284 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.968 0.938 12.013 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.802 -1.331 10.844 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.926 -0.494 8.817 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.499 0.332 10.286 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.359 1.151 9.192 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.632 -1.333 8.671 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.962 0.274 9.039 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.504 -1.130 10.033 1.00 0.00 H new ATOM 886 N PRO A 56 -8.084 2.819 13.281 1.00 0.00 N ATOM 887 CA PRO A 56 -8.249 3.925 14.225 1.00 0.00 C ATOM 888 C PRO A 56 -7.374 5.129 13.874 1.00 0.00 C ATOM 889 O PRO A 56 -7.352 6.119 14.607 1.00 0.00 O ATOM 890 CB PRO A 56 -7.824 3.326 15.570 1.00 0.00 C ATOM 891 CG PRO A 56 -6.975 2.152 15.222 1.00 0.00 C ATOM 892 CD PRO A 56 -7.510 1.623 13.921 1.00 0.00 C ATOM 0 HA PRO A 56 -9.270 4.306 14.222 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.269 4.050 16.166 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -8.691 3.025 16.159 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.929 2.443 15.124 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -7.023 1.391 16.001 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.722 1.180 13.312 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.263 0.851 14.080 1.00 0.00 H new ATOM 900 N LYS A 57 -6.660 5.053 12.746 1.00 0.00 N ATOM 901 CA LYS A 57 -5.804 6.148 12.313 1.00 0.00 C ATOM 902 C LYS A 57 -5.818 6.255 10.794 1.00 0.00 C ATOM 903 O LYS A 57 -4.894 6.796 10.186 1.00 0.00 O ATOM 904 CB LYS A 57 -4.373 5.941 12.818 1.00 0.00 C ATOM 905 CG LYS A 57 -4.009 6.836 13.991 1.00 0.00 C ATOM 906 CD LYS A 57 -4.074 8.305 13.612 1.00 0.00 C ATOM 907 CE LYS A 57 -4.644 9.148 14.743 1.00 0.00 C ATOM 908 NZ LYS A 57 -6.130 9.209 14.698 1.00 0.00 N ATOM 0 H LYS A 57 -6.662 4.246 12.123 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.187 7.077 12.734 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.247 4.899 13.113 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.677 6.126 12.000 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.688 6.643 14.821 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.005 6.593 14.338 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.075 8.661 13.359 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -4.690 8.425 12.721 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.327 8.733 15.700 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.238 10.158 14.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -6.483 9.706 15.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.431 9.720 13.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.517 8.244 14.679 1.00 0.00 H new ATOM 922 N VAL A 58 -6.878 5.729 10.188 1.00 0.00 N ATOM 923 CA VAL A 58 -7.029 5.750 8.744 1.00 0.00 C ATOM 924 C VAL A 58 -7.708 7.033 8.288 1.00 0.00 C ATOM 925 O VAL A 58 -8.276 7.770 9.095 1.00 0.00 O ATOM 926 CB VAL A 58 -7.855 4.538 8.258 1.00 0.00 C ATOM 927 CG1 VAL A 58 -9.339 4.754 8.521 1.00 0.00 C ATOM 928 CG2 VAL A 58 -7.614 4.268 6.782 1.00 0.00 C ATOM 0 H VAL A 58 -7.649 5.280 10.683 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.030 5.699 8.311 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.527 3.665 8.822 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -9.900 3.888 8.171 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -9.504 4.885 9.591 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -9.677 5.644 7.990 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.208 3.410 6.467 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.904 5.143 6.200 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.557 4.057 6.618 1.00 0.00 H new ATOM 938 N VAL A 59 -7.656 7.283 6.994 1.00 0.00 N ATOM 939 CA VAL A 59 -8.276 8.462 6.421 1.00 0.00 C ATOM 940 C VAL A 59 -8.753 8.171 5.007 1.00 0.00 C ATOM 941 O VAL A 59 -8.146 7.373 4.294 1.00 0.00 O ATOM 942 CB VAL A 59 -7.308 9.656 6.397 1.00 0.00 C ATOM 943 CG1 VAL A 59 -6.906 10.050 7.810 1.00 0.00 C ATOM 944 CG2 VAL A 59 -6.081 9.338 5.552 1.00 0.00 C ATOM 0 H VAL A 59 -7.188 6.681 6.316 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.127 8.723 7.051 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.821 10.503 5.942 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.221 10.897 7.771 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.794 10.328 8.377 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.414 9.208 8.297 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.409 10.196 5.549 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.564 8.475 5.971 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.390 9.115 4.531 1.00 0.00 H new ATOM 1052 N VAL A 66 -3.825 5.134 -1.115 1.00 0.00 N ATOM 1053 CA VAL A 66 -2.936 4.130 -0.539 1.00 0.00 C ATOM 1054 C VAL A 66 -1.873 4.795 0.331 1.00 0.00 C ATOM 1055 O VAL A 66 -0.705 4.873 -0.049 1.00 0.00 O ATOM 1056 CB VAL A 66 -2.241 3.318 -1.645 1.00 0.00 C ATOM 1057 CG1 VAL A 66 -1.543 2.094 -1.069 1.00 0.00 C ATOM 1058 CG2 VAL A 66 -3.241 2.921 -2.720 1.00 0.00 C ATOM 0 HA VAL A 66 -3.542 3.461 0.072 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.478 3.948 -2.103 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.060 1.538 -1.873 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.792 2.410 -0.345 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.276 1.455 -0.576 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.733 2.347 -3.495 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.030 2.313 -2.277 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.678 3.818 -3.160 1.00 0.00 H new ATOM 1068 N THR A 67 -2.287 5.293 1.494 1.00 0.00 N ATOM 1069 CA THR A 67 -1.370 5.972 2.404 1.00 0.00 C ATOM 1070 C THR A 67 -0.790 5.014 3.438 1.00 0.00 C ATOM 1071 O THR A 67 -1.468 4.100 3.906 1.00 0.00 O ATOM 1072 CB THR A 67 -2.082 7.127 3.106 1.00 0.00 C ATOM 1073 OG1 THR A 67 -2.495 8.106 2.169 1.00 0.00 O ATOM 1074 CG2 THR A 67 -1.232 7.819 4.150 1.00 0.00 C ATOM 0 H THR A 67 -3.250 5.239 1.827 1.00 0.00 H new ATOM 0 HA THR A 67 -0.544 6.363 1.809 1.00 0.00 H new ATOM 0 HB THR A 67 -2.937 6.672 3.607 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.950 8.836 2.638 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.803 8.628 4.606 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.943 7.101 4.918 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.338 8.227 3.679 1.00 0.00 H new ATOM 1082 N LYS A 68 0.470 5.242 3.799 1.00 0.00 N ATOM 1083 CA LYS A 68 1.148 4.412 4.787 1.00 0.00 C ATOM 1084 C LYS A 68 0.960 4.987 6.187 1.00 0.00 C ATOM 1085 O LYS A 68 1.121 6.189 6.400 1.00 0.00 O ATOM 1086 CB LYS A 68 2.639 4.303 4.461 1.00 0.00 C ATOM 1087 CG LYS A 68 3.199 2.898 4.625 1.00 0.00 C ATOM 1088 CD LYS A 68 4.690 2.853 4.329 1.00 0.00 C ATOM 1089 CE LYS A 68 5.509 2.644 5.595 1.00 0.00 C ATOM 1090 NZ LYS A 68 6.575 3.673 5.744 1.00 0.00 N ATOM 0 H LYS A 68 1.042 5.997 3.420 1.00 0.00 H new ATOM 0 HA LYS A 68 0.708 3.415 4.756 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.803 4.632 3.435 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.194 4.984 5.107 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.018 2.550 5.642 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.674 2.216 3.957 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.897 2.047 3.624 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.994 3.783 3.848 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.850 2.676 6.463 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.962 1.653 5.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.110 3.495 6.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.219 3.626 4.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.142 4.617 5.789 1.00 0.00 H new ATOM 1104 N MET A 69 0.619 4.123 7.137 1.00 0.00 N ATOM 1105 CA MET A 69 0.409 4.548 8.516 1.00 0.00 C ATOM 1106 C MET A 69 1.629 5.299 9.045 1.00 0.00 C ATOM 1107 O MET A 69 1.504 6.214 9.860 1.00 0.00 O ATOM 1108 CB MET A 69 0.109 3.335 9.398 1.00 0.00 C ATOM 1109 CG MET A 69 -1.373 3.130 9.665 1.00 0.00 C ATOM 1110 SD MET A 69 -2.141 4.560 10.449 1.00 0.00 S ATOM 1111 CE MET A 69 -1.992 4.110 12.173 1.00 0.00 C ATOM 0 H MET A 69 0.482 3.125 6.977 1.00 0.00 H new ATOM 0 HA MET A 69 -0.444 5.226 8.542 1.00 0.00 H new ATOM 0 HB2 MET A 69 0.511 2.441 8.921 1.00 0.00 H new ATOM 0 HB3 MET A 69 0.629 3.450 10.349 1.00 0.00 H new ATOM 0 HG2 MET A 69 -1.882 2.919 8.724 1.00 0.00 H new ATOM 0 HG3 MET A 69 -1.506 2.256 10.302 1.00 0.00 H new ATOM 0 HE1 MET A 69 -1.798 5.003 12.767 1.00 0.00 H new ATOM 0 HE2 MET A 69 -2.919 3.645 12.509 1.00 0.00 H new ATOM 0 HE3 MET A 69 -1.168 3.407 12.296 1.00 0.00 H new ATOM 1121 N SER A 70 2.806 4.908 8.570 1.00 0.00 N ATOM 1122 CA SER A 70 4.051 5.545 8.987 1.00 0.00 C ATOM 1123 C SER A 70 4.238 5.450 10.496 1.00 0.00 C ATOM 1124 O SER A 70 4.904 6.287 11.104 1.00 0.00 O ATOM 1125 CB SER A 70 4.077 7.009 8.546 1.00 0.00 C ATOM 1126 OG SER A 70 3.611 7.150 7.217 1.00 0.00 O ATOM 0 H SER A 70 2.925 4.152 7.895 1.00 0.00 H new ATOM 0 HA SER A 70 4.874 5.016 8.507 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.458 7.605 9.217 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.093 7.397 8.621 1.00 0.00 H new ATOM 0 HG SER A 70 2.666 6.894 7.173 1.00 0.00 H new ATOM 1132 N MET A 71 3.655 4.417 11.093 1.00 0.00 N ATOM 1133 CA MET A 71 3.765 4.203 12.533 1.00 0.00 C ATOM 1134 C MET A 71 4.681 3.021 12.843 1.00 0.00 C ATOM 1135 O MET A 71 5.122 2.850 13.978 1.00 0.00 O ATOM 1136 CB MET A 71 2.387 3.959 13.154 1.00 0.00 C ATOM 1137 CG MET A 71 1.292 4.847 12.590 1.00 0.00 C ATOM 1138 SD MET A 71 1.479 6.574 13.071 1.00 0.00 S ATOM 1139 CE MET A 71 0.766 6.545 14.715 1.00 0.00 C ATOM 0 H MET A 71 3.101 3.714 10.603 1.00 0.00 H new ATOM 0 HA MET A 71 4.196 5.106 12.966 1.00 0.00 H new ATOM 0 HB2 MET A 71 2.110 2.916 13.001 1.00 0.00 H new ATOM 0 HB3 MET A 71 2.451 4.117 14.231 1.00 0.00 H new ATOM 0 HG2 MET A 71 1.296 4.775 11.502 1.00 0.00 H new ATOM 0 HG3 MET A 71 0.323 4.482 12.930 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.808 7.545 15.148 1.00 0.00 H new ATOM 0 HE2 MET A 71 -0.272 6.219 14.656 1.00 0.00 H new ATOM 0 HE3 MET A 71 1.328 5.854 15.343 1.00 0.00 H new ATOM 1149 N ASN A 72 4.955 2.202 11.829 1.00 0.00 N ATOM 1150 CA ASN A 72 5.809 1.034 12.002 1.00 0.00 C ATOM 1151 C ASN A 72 5.133 0.012 12.908 1.00 0.00 C ATOM 1152 O ASN A 72 5.642 -0.317 13.981 1.00 0.00 O ATOM 1153 CB ASN A 72 7.166 1.440 12.585 1.00 0.00 C ATOM 1154 CG ASN A 72 8.187 0.321 12.510 1.00 0.00 C ATOM 1155 OD1 ASN A 72 8.746 -0.095 13.525 1.00 0.00 O ATOM 1156 ND2 ASN A 72 8.432 -0.175 11.302 1.00 0.00 N ATOM 0 H ASN A 72 4.598 2.327 10.882 1.00 0.00 H new ATOM 0 HA ASN A 72 5.973 0.582 11.024 1.00 0.00 H new ATOM 0 HB2 ASN A 72 7.544 2.309 12.047 1.00 0.00 H new ATOM 0 HB3 ASN A 72 7.036 1.740 13.625 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.107 -0.931 11.189 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.945 0.201 10.488 1.00 0.00 H new ATOM 1163 N LEU A 73 3.983 -0.489 12.470 1.00 0.00 N ATOM 1164 CA LEU A 73 3.237 -1.474 13.238 1.00 0.00 C ATOM 1165 C LEU A 73 4.055 -2.746 13.405 1.00 0.00 C ATOM 1166 O LEU A 73 4.174 -3.286 14.504 1.00 0.00 O ATOM 1167 CB LEU A 73 1.908 -1.776 12.554 1.00 0.00 C ATOM 1168 CG LEU A 73 0.860 -0.672 12.688 1.00 0.00 C ATOM 1169 CD1 LEU A 73 1.377 0.630 12.097 1.00 0.00 C ATOM 1170 CD2 LEU A 73 -0.434 -1.080 12.013 1.00 0.00 C ATOM 0 H LEU A 73 3.548 -0.227 11.585 1.00 0.00 H new ATOM 0 HA LEU A 73 3.033 -1.066 14.228 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.092 -1.958 11.495 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.501 -2.698 12.970 1.00 0.00 H new ATOM 0 HG LEU A 73 0.662 -0.516 13.749 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.617 1.404 12.202 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.281 0.935 12.624 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.604 0.485 11.041 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.168 -0.281 12.119 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.250 -1.265 10.955 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.817 -1.988 12.479 1.00 0.00 H new ATOM 1182 N ILE A 74 4.630 -3.205 12.302 1.00 0.00 N ATOM 1183 CA ILE A 74 5.458 -4.402 12.309 1.00 0.00 C ATOM 1184 C ILE A 74 6.717 -4.183 11.480 1.00 0.00 C ATOM 1185 O ILE A 74 6.737 -3.358 10.567 1.00 0.00 O ATOM 1186 CB ILE A 74 4.685 -5.628 11.771 1.00 0.00 C ATOM 1187 CG1 ILE A 74 4.077 -6.420 12.926 1.00 0.00 C ATOM 1188 CG2 ILE A 74 5.583 -6.534 10.934 1.00 0.00 C ATOM 1189 CD1 ILE A 74 3.288 -7.625 12.470 1.00 0.00 C ATOM 0 H ILE A 74 4.537 -2.764 11.387 1.00 0.00 H new ATOM 0 HA ILE A 74 5.737 -4.602 13.343 1.00 0.00 H new ATOM 0 HB ILE A 74 3.886 -5.258 11.128 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.874 -6.747 13.593 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.426 -5.765 13.504 1.00 0.00 H new ATOM 0 HG21 ILE A 74 5.006 -7.385 10.573 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.974 -5.974 10.085 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.411 -6.891 11.546 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.883 -8.144 13.338 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.470 -7.302 11.826 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.941 -8.299 11.916 1.00 0.00 H new ATOM 1201 N ASP A 75 7.760 -4.931 11.804 1.00 0.00 N ATOM 1202 CA ASP A 75 9.019 -4.827 11.087 1.00 0.00 C ATOM 1203 C ASP A 75 9.088 -5.859 9.974 1.00 0.00 C ATOM 1204 O ASP A 75 8.666 -7.002 10.144 1.00 0.00 O ATOM 1205 CB ASP A 75 10.190 -5.011 12.050 1.00 0.00 C ATOM 1206 CG ASP A 75 11.473 -4.396 11.526 1.00 0.00 C ATOM 1207 OD1 ASP A 75 12.091 -3.597 12.261 1.00 0.00 O ATOM 1208 OD2 ASP A 75 11.860 -4.713 10.383 1.00 0.00 O ATOM 0 H ASP A 75 7.759 -5.617 12.559 1.00 0.00 H new ATOM 0 HA ASP A 75 9.081 -3.834 10.641 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.941 -4.561 13.011 1.00 0.00 H new ATOM 0 HB3 ASP A 75 10.347 -6.075 12.228 1.00 0.00 H new ATOM 1213 N GLY A 76 9.617 -5.444 8.832 1.00 0.00 N ATOM 1214 CA GLY A 76 9.728 -6.340 7.702 1.00 0.00 C ATOM 1215 C GLY A 76 8.701 -6.047 6.626 1.00 0.00 C ATOM 1216 O GLY A 76 8.967 -6.245 5.440 1.00 0.00 O ATOM 0 H GLY A 76 9.971 -4.502 8.669 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.728 -6.261 7.276 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.608 -7.368 8.044 1.00 0.00 H new ATOM 1220 N PHE A 77 7.523 -5.581 7.032 1.00 0.00 N ATOM 1221 CA PHE A 77 6.465 -5.273 6.071 1.00 0.00 C ATOM 1222 C PHE A 77 6.215 -3.770 5.962 1.00 0.00 C ATOM 1223 O PHE A 77 6.867 -2.968 6.631 1.00 0.00 O ATOM 1224 CB PHE A 77 5.163 -5.979 6.460 1.00 0.00 C ATOM 1225 CG PHE A 77 5.359 -7.367 7.000 1.00 0.00 C ATOM 1226 CD1 PHE A 77 6.023 -8.330 6.258 1.00 0.00 C ATOM 1227 CD2 PHE A 77 4.873 -7.706 8.250 1.00 0.00 C ATOM 1228 CE1 PHE A 77 6.197 -9.608 6.756 1.00 0.00 C ATOM 1229 CE2 PHE A 77 5.042 -8.980 8.754 1.00 0.00 C ATOM 1230 CZ PHE A 77 5.704 -9.933 8.006 1.00 0.00 C ATOM 0 H PHE A 77 7.277 -5.410 8.007 1.00 0.00 H new ATOM 0 HA PHE A 77 6.801 -5.634 5.099 1.00 0.00 H new ATOM 0 HB2 PHE A 77 4.646 -5.379 7.208 1.00 0.00 H new ATOM 0 HB3 PHE A 77 4.513 -6.028 5.586 1.00 0.00 H new ATOM 0 HD1 PHE A 77 6.409 -8.080 5.281 1.00 0.00 H new ATOM 0 HD2 PHE A 77 4.355 -6.964 8.839 1.00 0.00 H new ATOM 0 HE1 PHE A 77 6.717 -10.351 6.170 1.00 0.00 H new ATOM 0 HE2 PHE A 77 4.657 -9.231 9.731 1.00 0.00 H new ATOM 0 HZ PHE A 77 5.837 -10.931 8.397 1.00 0.00 H new ATOM 1240 N ASP A 78 5.257 -3.408 5.114 1.00 0.00 N ATOM 1241 CA ASP A 78 4.891 -2.012 4.899 1.00 0.00 C ATOM 1242 C ASP A 78 3.378 -1.843 5.035 1.00 0.00 C ATOM 1243 O ASP A 78 2.612 -2.376 4.226 1.00 0.00 O ATOM 1244 CB ASP A 78 5.352 -1.546 3.516 1.00 0.00 C ATOM 1245 CG ASP A 78 6.531 -0.595 3.590 1.00 0.00 C ATOM 1246 OD1 ASP A 78 7.189 -0.545 4.651 1.00 0.00 O ATOM 1247 OD2 ASP A 78 6.798 0.099 2.586 1.00 0.00 O ATOM 0 H ASP A 78 4.715 -4.070 4.559 1.00 0.00 H new ATOM 0 HA ASP A 78 5.386 -1.400 5.653 1.00 0.00 H new ATOM 0 HB2 ASP A 78 5.626 -2.414 2.916 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.523 -1.054 3.006 1.00 0.00 H new ATOM 1252 N CYS A 79 2.956 -1.123 6.071 1.00 0.00 N ATOM 1253 CA CYS A 79 1.534 -0.908 6.338 1.00 0.00 C ATOM 1254 C CYS A 79 0.952 0.252 5.525 1.00 0.00 C ATOM 1255 O CYS A 79 1.230 1.418 5.799 1.00 0.00 O ATOM 1256 CB CYS A 79 1.316 -0.647 7.830 1.00 0.00 C ATOM 1257 SG CYS A 79 2.381 0.644 8.518 1.00 0.00 S ATOM 0 H CYS A 79 3.580 -0.676 6.743 1.00 0.00 H new ATOM 0 HA CYS A 79 1.012 -1.815 6.034 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.275 -0.368 7.991 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.486 -1.574 8.378 1.00 0.00 H new ATOM 0 HG CYS A 79 2.452 1.638 7.684 1.00 0.00 H new ATOM 1263 N PHE A 80 0.121 -0.087 4.543 1.00 0.00 N ATOM 1264 CA PHE A 80 -0.532 0.910 3.697 1.00 0.00 C ATOM 1265 C PHE A 80 -2.051 0.761 3.782 1.00 0.00 C ATOM 1266 O PHE A 80 -2.553 -0.321 4.088 1.00 0.00 O ATOM 1267 CB PHE A 80 -0.081 0.755 2.243 1.00 0.00 C ATOM 1268 CG PHE A 80 1.269 1.346 1.957 1.00 0.00 C ATOM 1269 CD1 PHE A 80 1.400 2.692 1.654 1.00 0.00 C ATOM 1270 CD2 PHE A 80 2.407 0.555 1.986 1.00 0.00 C ATOM 1271 CE1 PHE A 80 2.640 3.238 1.383 1.00 0.00 C ATOM 1272 CE2 PHE A 80 3.650 1.096 1.718 1.00 0.00 C ATOM 1273 CZ PHE A 80 3.767 2.439 1.416 1.00 0.00 C ATOM 0 H PHE A 80 -0.118 -1.051 4.312 1.00 0.00 H new ATOM 0 HA PHE A 80 -0.248 1.901 4.052 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.063 -0.305 1.990 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.818 1.226 1.592 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.523 3.321 1.629 1.00 0.00 H new ATOM 0 HD2 PHE A 80 2.321 -0.496 2.221 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.728 4.288 1.146 1.00 0.00 H new ATOM 0 HE2 PHE A 80 4.529 0.469 1.745 1.00 0.00 H new ATOM 0 HZ PHE A 80 4.738 2.864 1.206 1.00 0.00 H new ATOM 1283 N TYR A 81 -2.780 1.840 3.501 1.00 0.00 N ATOM 1284 CA TYR A 81 -4.241 1.799 3.539 1.00 0.00 C ATOM 1285 C TYR A 81 -4.848 2.740 2.503 1.00 0.00 C ATOM 1286 O TYR A 81 -4.386 3.866 2.320 1.00 0.00 O ATOM 1287 CB TYR A 81 -4.769 2.133 4.939 1.00 0.00 C ATOM 1288 CG TYR A 81 -4.269 3.442 5.511 1.00 0.00 C ATOM 1289 CD1 TYR A 81 -3.298 3.460 6.507 1.00 0.00 C ATOM 1290 CD2 TYR A 81 -4.773 4.660 5.071 1.00 0.00 C ATOM 1291 CE1 TYR A 81 -2.844 4.648 7.041 1.00 0.00 C ATOM 1292 CE2 TYR A 81 -4.322 5.852 5.601 1.00 0.00 C ATOM 1293 CZ TYR A 81 -3.359 5.842 6.585 1.00 0.00 C ATOM 1294 OH TYR A 81 -2.908 7.029 7.116 1.00 0.00 O ATOM 0 H TYR A 81 -2.387 2.746 3.247 1.00 0.00 H new ATOM 0 HA TYR A 81 -4.544 0.781 3.294 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -5.858 2.161 4.904 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -4.492 1.327 5.618 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.892 2.527 6.869 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -5.530 4.674 4.301 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -2.089 4.642 7.813 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -4.723 6.789 5.245 1.00 0.00 H new ATOM 0 HH TYR A 81 -3.371 7.777 6.685 1.00 0.00 H new ATOM 1304 N SER A 82 -5.887 2.259 1.827 1.00 0.00 N ATOM 1305 CA SER A 82 -6.570 3.035 0.799 1.00 0.00 C ATOM 1306 C SER A 82 -8.079 2.813 0.866 1.00 0.00 C ATOM 1307 O SER A 82 -8.557 1.696 0.676 1.00 0.00 O ATOM 1308 CB SER A 82 -6.057 2.647 -0.593 1.00 0.00 C ATOM 1309 OG SER A 82 -4.854 1.900 -0.512 1.00 0.00 O ATOM 0 H SER A 82 -6.276 1.328 1.975 1.00 0.00 H new ATOM 0 HA SER A 82 -6.360 4.089 0.979 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.816 2.062 -1.112 1.00 0.00 H new ATOM 0 HB3 SER A 82 -5.889 3.547 -1.184 1.00 0.00 H new ATOM 0 HG SER A 82 -4.938 1.219 0.188 1.00 0.00 H new ATOM 1315 N THR A 83 -8.829 3.878 1.136 1.00 0.00 N ATOM 1316 CA THR A 83 -10.282 3.780 1.217 1.00 0.00 C ATOM 1317 C THR A 83 -10.906 3.845 -0.170 1.00 0.00 C ATOM 1318 O THR A 83 -10.390 4.519 -1.063 1.00 0.00 O ATOM 1319 CB THR A 83 -10.857 4.887 2.100 1.00 0.00 C ATOM 1320 OG1 THR A 83 -10.929 6.110 1.391 1.00 0.00 O ATOM 1321 CG2 THR A 83 -10.054 5.132 3.360 1.00 0.00 C ATOM 0 H THR A 83 -8.457 4.813 1.301 1.00 0.00 H new ATOM 0 HA THR A 83 -10.525 2.817 1.666 1.00 0.00 H new ATOM 0 HB THR A 83 -11.849 4.537 2.386 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.301 6.804 1.974 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.519 5.930 3.939 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.026 4.220 3.957 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.038 5.422 3.093 1.00 0.00 H new ATOM 1329 N ASP A 84 -12.015 3.134 -0.350 1.00 0.00 N ATOM 1330 CA ASP A 84 -12.712 3.102 -1.634 1.00 0.00 C ATOM 1331 C ASP A 84 -12.872 4.507 -2.211 1.00 0.00 C ATOM 1332 O ASP A 84 -13.170 5.459 -1.489 1.00 0.00 O ATOM 1333 CB ASP A 84 -14.079 2.433 -1.481 1.00 0.00 C ATOM 1334 CG ASP A 84 -14.566 1.814 -2.776 1.00 0.00 C ATOM 1335 OD1 ASP A 84 -13.727 1.559 -3.665 1.00 0.00 O ATOM 1336 OD2 ASP A 84 -15.788 1.586 -2.902 1.00 0.00 O ATOM 0 H ASP A 84 -12.452 2.570 0.379 1.00 0.00 H new ATOM 0 HA ASP A 84 -12.109 2.518 -2.329 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -14.020 1.662 -0.713 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -14.805 3.170 -1.138 1.00 0.00 H new ATOM 1341 N ASP A 85 -12.658 4.623 -3.518 1.00 0.00 N ATOM 1342 CA ASP A 85 -12.761 5.906 -4.208 1.00 0.00 C ATOM 1343 C ASP A 85 -14.087 6.607 -3.917 1.00 0.00 C ATOM 1344 O ASP A 85 -14.182 7.830 -4.017 1.00 0.00 O ATOM 1345 CB ASP A 85 -12.605 5.705 -5.716 1.00 0.00 C ATOM 1346 CG ASP A 85 -13.523 4.624 -6.254 1.00 0.00 C ATOM 1347 OD1 ASP A 85 -14.664 4.514 -5.757 1.00 0.00 O ATOM 1348 OD2 ASP A 85 -13.102 3.887 -7.170 1.00 0.00 O ATOM 0 H ASP A 85 -12.411 3.840 -4.124 1.00 0.00 H new ATOM 0 HA ASP A 85 -11.958 6.542 -3.835 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -12.815 6.644 -6.228 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.571 5.444 -5.940 1.00 0.00 H new ATOM 1353 N HIS A 86 -15.108 5.833 -3.566 1.00 0.00 N ATOM 1354 CA HIS A 86 -16.422 6.399 -3.273 1.00 0.00 C ATOM 1355 C HIS A 86 -17.124 5.637 -2.151 1.00 0.00 C ATOM 1356 O HIS A 86 -18.347 5.702 -2.021 1.00 0.00 O ATOM 1357 CB HIS A 86 -17.291 6.383 -4.530 1.00 0.00 C ATOM 1358 CG HIS A 86 -17.361 5.041 -5.190 1.00 0.00 C ATOM 1359 ND1 HIS A 86 -16.960 3.875 -4.570 1.00 0.00 N ATOM 1360 CD2 HIS A 86 -17.788 4.679 -6.424 1.00 0.00 C ATOM 1361 CE1 HIS A 86 -17.134 2.858 -5.393 1.00 0.00 C ATOM 1362 NE2 HIS A 86 -17.637 3.316 -6.524 1.00 0.00 N ATOM 0 H HIS A 86 -15.053 4.818 -3.477 1.00 0.00 H new ATOM 0 HA HIS A 86 -16.275 7.427 -2.942 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -18.299 6.704 -4.269 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -16.900 7.109 -5.242 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -18.175 5.338 -7.187 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -16.904 1.825 -5.177 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -17.875 2.751 -7.339 1.00 0.00 H new ATOM 1371 N ASP A 87 -16.352 4.911 -1.349 1.00 0.00 N ATOM 1372 CA ASP A 87 -16.918 4.140 -0.250 1.00 0.00 C ATOM 1373 C ASP A 87 -15.960 4.090 0.938 1.00 0.00 C ATOM 1374 O ASP A 87 -15.096 3.217 1.011 1.00 0.00 O ATOM 1375 CB ASP A 87 -17.245 2.721 -0.713 1.00 0.00 C ATOM 1376 CG ASP A 87 -18.464 2.151 -0.016 1.00 0.00 C ATOM 1377 OD1 ASP A 87 -19.514 2.828 -0.006 1.00 0.00 O ATOM 1378 OD2 ASP A 87 -18.369 1.028 0.521 1.00 0.00 O ATOM 0 H ASP A 87 -15.338 4.841 -1.439 1.00 0.00 H new ATOM 0 HA ASP A 87 -17.835 4.634 0.070 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -17.414 2.723 -1.790 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -16.388 2.074 -0.526 1.00 0.00 H new ATOM 1383 N PRO A 88 -16.108 5.019 1.900 1.00 0.00 N ATOM 1384 CA PRO A 88 -15.255 5.056 3.091 1.00 0.00 C ATOM 1385 C PRO A 88 -15.419 3.804 3.949 1.00 0.00 C ATOM 1386 O PRO A 88 -14.599 3.528 4.824 1.00 0.00 O ATOM 1387 CB PRO A 88 -15.738 6.299 3.846 1.00 0.00 C ATOM 1388 CG PRO A 88 -17.118 6.544 3.342 1.00 0.00 C ATOM 1389 CD PRO A 88 -17.119 6.091 1.911 1.00 0.00 C ATOM 0 HA PRO A 88 -14.196 5.092 2.836 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -15.735 6.132 4.923 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -15.090 7.154 3.654 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -17.852 5.990 3.928 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -17.380 7.599 3.418 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -18.099 5.724 1.605 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -16.855 6.901 1.231 1.00 0.00 H new ATOM 1397 N LYS A 89 -16.480 3.043 3.681 1.00 0.00 N ATOM 1398 CA LYS A 89 -16.748 1.814 4.415 1.00 0.00 C ATOM 1399 C LYS A 89 -16.205 0.610 3.649 1.00 0.00 C ATOM 1400 O LYS A 89 -16.745 -0.494 3.734 1.00 0.00 O ATOM 1401 CB LYS A 89 -18.252 1.652 4.648 1.00 0.00 C ATOM 1402 CG LYS A 89 -18.731 2.262 5.958 1.00 0.00 C ATOM 1403 CD LYS A 89 -20.040 3.018 5.778 1.00 0.00 C ATOM 1404 CE LYS A 89 -20.010 4.362 6.491 1.00 0.00 C ATOM 1405 NZ LYS A 89 -19.875 4.208 7.964 1.00 0.00 N ATOM 0 H LYS A 89 -17.167 3.260 2.959 1.00 0.00 H new ATOM 0 HA LYS A 89 -16.247 1.871 5.381 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -18.792 2.115 3.822 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -18.501 0.591 4.637 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -18.864 1.474 6.700 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -17.969 2.939 6.345 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -20.229 3.173 4.716 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -20.864 2.418 6.164 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -19.179 4.956 6.111 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -20.924 4.912 6.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -19.910 5.144 8.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -20.654 3.621 8.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -18.967 3.751 8.184 1.00 0.00 H new ATOM 1419 N THR A 90 -15.124 0.836 2.910 1.00 0.00 N ATOM 1420 CA THR A 90 -14.484 -0.211 2.124 1.00 0.00 C ATOM 1421 C THR A 90 -13.016 0.132 1.920 1.00 0.00 C ATOM 1422 O THR A 90 -12.589 0.490 0.821 1.00 0.00 O ATOM 1423 CB THR A 90 -15.195 -0.376 0.776 1.00 0.00 C ATOM 1424 OG1 THR A 90 -16.476 -0.954 0.956 1.00 0.00 O ATOM 1425 CG2 THR A 90 -14.439 -1.240 -0.211 1.00 0.00 C ATOM 0 H THR A 90 -14.669 1.746 2.839 1.00 0.00 H new ATOM 0 HA THR A 90 -14.554 -1.157 2.660 1.00 0.00 H new ATOM 0 HB THR A 90 -15.263 0.632 0.366 1.00 0.00 H new ATOM 0 HG1 THR A 90 -17.166 -0.273 0.810 1.00 0.00 H new ATOM 0 HG21 THR A 90 -15.004 -1.310 -1.140 1.00 0.00 H new ATOM 0 HG22 THR A 90 -13.464 -0.795 -0.412 1.00 0.00 H new ATOM 0 HG23 THR A 90 -14.304 -2.237 0.208 1.00 0.00 H new ATOM 1433 N VAL A 91 -12.259 0.031 3.000 1.00 0.00 N ATOM 1434 CA VAL A 91 -10.837 0.338 2.979 1.00 0.00 C ATOM 1435 C VAL A 91 -10.049 -0.702 2.195 1.00 0.00 C ATOM 1436 O VAL A 91 -10.595 -1.699 1.729 1.00 0.00 O ATOM 1437 CB VAL A 91 -10.252 0.453 4.407 1.00 0.00 C ATOM 1438 CG1 VAL A 91 -9.180 1.534 4.460 1.00 0.00 C ATOM 1439 CG2 VAL A 91 -11.349 0.736 5.425 1.00 0.00 C ATOM 0 H VAL A 91 -12.609 -0.264 3.911 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.741 1.303 2.482 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.793 -0.502 4.662 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -8.780 1.601 5.472 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.376 1.283 3.768 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.616 2.493 4.178 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -10.911 0.812 6.420 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -11.845 1.674 5.174 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.077 -0.075 5.410 1.00 0.00 H new ATOM 1449 N TYR A 92 -8.754 -0.447 2.059 1.00 0.00 N ATOM 1450 CA TYR A 92 -7.851 -1.337 1.336 1.00 0.00 C ATOM 1451 C TYR A 92 -6.443 -1.225 1.908 1.00 0.00 C ATOM 1452 O TYR A 92 -5.701 -0.304 1.571 1.00 0.00 O ATOM 1453 CB TYR A 92 -7.823 -0.983 -0.152 1.00 0.00 C ATOM 1454 CG TYR A 92 -9.167 -1.077 -0.837 1.00 0.00 C ATOM 1455 CD1 TYR A 92 -9.881 -2.265 -0.845 1.00 0.00 C ATOM 1456 CD2 TYR A 92 -9.717 0.024 -1.481 1.00 0.00 C ATOM 1457 CE1 TYR A 92 -11.106 -2.358 -1.477 1.00 0.00 C ATOM 1458 CE2 TYR A 92 -10.942 -0.059 -2.113 1.00 0.00 C ATOM 1459 CZ TYR A 92 -11.633 -1.251 -2.110 1.00 0.00 C ATOM 1460 OH TYR A 92 -12.854 -1.338 -2.741 1.00 0.00 O ATOM 0 H TYR A 92 -8.300 0.380 2.445 1.00 0.00 H new ATOM 0 HA TYR A 92 -8.213 -2.359 1.450 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -7.440 0.031 -0.265 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.122 -1.647 -0.659 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -9.473 -3.133 -0.349 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -9.178 0.960 -1.488 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.648 -3.292 -1.476 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -11.357 0.807 -2.608 1.00 0.00 H new ATOM 0 HH TYR A 92 -13.136 -0.446 -3.032 1.00 0.00 H new ATOM 1470 N VAL A 93 -6.082 -2.153 2.784 1.00 0.00 N ATOM 1471 CA VAL A 93 -4.767 -2.127 3.407 1.00 0.00 C ATOM 1472 C VAL A 93 -3.816 -3.129 2.759 1.00 0.00 C ATOM 1473 O VAL A 93 -4.124 -4.315 2.637 1.00 0.00 O ATOM 1474 CB VAL A 93 -4.882 -2.387 4.925 1.00 0.00 C ATOM 1475 CG1 VAL A 93 -3.541 -2.761 5.550 1.00 0.00 C ATOM 1476 CG2 VAL A 93 -5.464 -1.159 5.606 1.00 0.00 C ATOM 0 H VAL A 93 -6.677 -2.928 3.077 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.348 -1.132 3.253 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.546 -3.239 5.071 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.673 -2.934 6.618 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.161 -3.668 5.080 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.830 -1.949 5.399 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.546 -1.342 6.678 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.812 -0.303 5.432 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -6.453 -0.950 5.197 1.00 0.00 H new ATOM 1486 N CYS A 94 -2.651 -2.631 2.349 1.00 0.00 N ATOM 1487 CA CYS A 94 -1.639 -3.462 1.712 1.00 0.00 C ATOM 1488 C CYS A 94 -0.383 -3.553 2.573 1.00 0.00 C ATOM 1489 O CYS A 94 0.295 -2.556 2.820 1.00 0.00 O ATOM 1490 CB CYS A 94 -1.275 -2.909 0.334 1.00 0.00 C ATOM 1491 SG CYS A 94 -1.657 -4.015 -1.042 1.00 0.00 S ATOM 0 H CYS A 94 -2.387 -1.651 2.449 1.00 0.00 H new ATOM 0 HA CYS A 94 -2.059 -4.461 1.597 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -1.802 -1.967 0.184 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -0.209 -2.683 0.317 1.00 0.00 H new ATOM 0 HG CYS A 94 -0.614 -4.130 -1.809 1.00 0.00 H new ATOM 1497 N PHE A 95 -0.078 -4.765 3.001 1.00 0.00 N ATOM 1498 CA PHE A 95 1.102 -5.034 3.808 1.00 0.00 C ATOM 1499 C PHE A 95 2.253 -5.420 2.890 1.00 0.00 C ATOM 1500 O PHE A 95 2.617 -6.590 2.796 1.00 0.00 O ATOM 1501 CB PHE A 95 0.828 -6.176 4.791 1.00 0.00 C ATOM 1502 CG PHE A 95 0.641 -5.740 6.212 1.00 0.00 C ATOM 1503 CD1 PHE A 95 -0.629 -5.627 6.749 1.00 0.00 C ATOM 1504 CD2 PHE A 95 1.736 -5.467 7.015 1.00 0.00 C ATOM 1505 CE1 PHE A 95 -0.806 -5.248 8.065 1.00 0.00 C ATOM 1506 CE2 PHE A 95 1.565 -5.085 8.330 1.00 0.00 C ATOM 1507 CZ PHE A 95 0.293 -4.976 8.855 1.00 0.00 C ATOM 0 H PHE A 95 -0.641 -5.592 2.800 1.00 0.00 H new ATOM 0 HA PHE A 95 1.359 -4.139 4.375 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -0.065 -6.711 4.468 1.00 0.00 H new ATOM 0 HB3 PHE A 95 1.656 -6.883 4.747 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -1.491 -5.837 6.133 1.00 0.00 H new ATOM 0 HD2 PHE A 95 2.733 -5.554 6.608 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -1.802 -5.165 8.475 1.00 0.00 H new ATOM 0 HE2 PHE A 95 2.425 -4.872 8.947 1.00 0.00 H new ATOM 0 HZ PHE A 95 0.158 -4.678 9.884 1.00 0.00 H new ATOM 1517 N THR A 96 2.808 -4.439 2.193 1.00 0.00 N ATOM 1518 CA THR A 96 3.899 -4.706 1.266 1.00 0.00 C ATOM 1519 C THR A 96 5.189 -5.017 2.009 1.00 0.00 C ATOM 1520 O THR A 96 5.204 -5.127 3.233 1.00 0.00 O ATOM 1521 CB THR A 96 4.107 -3.524 0.318 1.00 0.00 C ATOM 1522 OG1 THR A 96 3.453 -2.364 0.804 1.00 0.00 O ATOM 1523 CG2 THR A 96 3.592 -3.792 -1.081 1.00 0.00 C ATOM 0 H THR A 96 2.525 -3.461 2.250 1.00 0.00 H new ATOM 0 HA THR A 96 3.625 -5.582 0.677 1.00 0.00 H new ATOM 0 HB THR A 96 5.186 -3.373 0.273 1.00 0.00 H new ATOM 0 HG1 THR A 96 4.116 -1.663 0.976 1.00 0.00 H new ATOM 0 HG21 THR A 96 3.768 -2.917 -1.707 1.00 0.00 H new ATOM 0 HG22 THR A 96 4.114 -4.651 -1.503 1.00 0.00 H new ATOM 0 HG23 THR A 96 2.523 -4.001 -1.041 1.00 0.00 H new ATOM 1531 N LEU A 97 6.269 -5.160 1.257 1.00 0.00 N ATOM 1532 CA LEU A 97 7.566 -5.456 1.841 1.00 0.00 C ATOM 1533 C LEU A 97 8.411 -4.193 1.917 1.00 0.00 C ATOM 1534 O LEU A 97 8.592 -3.498 0.919 1.00 0.00 O ATOM 1535 CB LEU A 97 8.271 -6.532 1.028 1.00 0.00 C ATOM 1536 CG LEU A 97 7.610 -7.905 1.104 1.00 0.00 C ATOM 1537 CD1 LEU A 97 8.112 -8.794 -0.011 1.00 0.00 C ATOM 1538 CD2 LEU A 97 7.860 -8.550 2.458 1.00 0.00 C ATOM 0 H LEU A 97 6.272 -5.076 0.240 1.00 0.00 H new ATOM 0 HA LEU A 97 7.422 -5.830 2.855 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.310 -6.217 -0.015 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.301 -6.617 1.374 1.00 0.00 H new ATOM 0 HG LEU A 97 6.534 -7.775 0.985 1.00 0.00 H new ATOM 0 HD11 LEU A 97 7.631 -9.770 0.057 1.00 0.00 H new ATOM 0 HD12 LEU A 97 7.876 -8.339 -0.973 1.00 0.00 H new ATOM 0 HD13 LEU A 97 9.192 -8.915 0.078 1.00 0.00 H new ATOM 0 HD21 LEU A 97 7.380 -9.528 2.489 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.933 -8.668 2.613 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.447 -7.918 3.244 1.00 0.00 H new ATOM 1550 N VAL A 98 8.910 -3.887 3.112 1.00 0.00 N ATOM 1551 CA VAL A 98 9.728 -2.694 3.327 1.00 0.00 C ATOM 1552 C VAL A 98 10.738 -2.490 2.201 1.00 0.00 C ATOM 1553 O VAL A 98 11.020 -1.358 1.806 1.00 0.00 O ATOM 1554 CB VAL A 98 10.475 -2.757 4.672 1.00 0.00 C ATOM 1555 CG1 VAL A 98 9.572 -2.291 5.808 1.00 0.00 C ATOM 1556 CG2 VAL A 98 10.997 -4.163 4.939 1.00 0.00 C ATOM 0 H VAL A 98 8.762 -4.450 3.949 1.00 0.00 H new ATOM 0 HA VAL A 98 9.041 -1.848 3.340 1.00 0.00 H new ATOM 0 HB VAL A 98 11.332 -2.085 4.617 1.00 0.00 H new ATOM 0 HG11 VAL A 98 10.117 -2.342 6.751 1.00 0.00 H new ATOM 0 HG12 VAL A 98 9.259 -1.263 5.626 1.00 0.00 H new ATOM 0 HG13 VAL A 98 8.693 -2.934 5.861 1.00 0.00 H new ATOM 0 HG21 VAL A 98 11.521 -4.181 5.895 1.00 0.00 H new ATOM 0 HG22 VAL A 98 10.161 -4.862 4.970 1.00 0.00 H new ATOM 0 HG23 VAL A 98 11.683 -4.453 4.144 1.00 0.00 H new ATOM 1566 N ASP A 99 11.271 -3.589 1.684 1.00 0.00 N ATOM 1567 CA ASP A 99 12.243 -3.528 0.597 1.00 0.00 C ATOM 1568 C ASP A 99 11.601 -2.953 -0.662 1.00 0.00 C ATOM 1569 O ASP A 99 12.221 -2.180 -1.392 1.00 0.00 O ATOM 1570 CB ASP A 99 12.807 -4.920 0.307 1.00 0.00 C ATOM 1571 CG ASP A 99 14.078 -5.202 1.084 1.00 0.00 C ATOM 1572 OD1 ASP A 99 13.977 -5.646 2.248 1.00 0.00 O ATOM 1573 OD2 ASP A 99 15.175 -4.978 0.529 1.00 0.00 O ATOM 0 H ASP A 99 11.048 -4.533 1.998 1.00 0.00 H new ATOM 0 HA ASP A 99 13.059 -2.874 0.904 1.00 0.00 H new ATOM 0 HB2 ASP A 99 12.058 -5.672 0.556 1.00 0.00 H new ATOM 0 HB3 ASP A 99 13.009 -5.012 -0.760 1.00 0.00 H new ATOM 1578 N ILE A 100 10.351 -3.335 -0.903 1.00 0.00 N ATOM 1579 CA ILE A 100 9.609 -2.862 -2.064 1.00 0.00 C ATOM 1580 C ILE A 100 9.364 -1.355 -1.975 1.00 0.00 C ATOM 1581 O ILE A 100 9.052 -0.833 -0.904 1.00 0.00 O ATOM 1582 CB ILE A 100 8.256 -3.599 -2.191 1.00 0.00 C ATOM 1583 CG1 ILE A 100 8.490 -5.100 -2.360 1.00 0.00 C ATOM 1584 CG2 ILE A 100 7.440 -3.054 -3.357 1.00 0.00 C ATOM 1585 CD1 ILE A 100 7.218 -5.917 -2.347 1.00 0.00 C ATOM 0 H ILE A 100 9.829 -3.975 -0.305 1.00 0.00 H new ATOM 0 HA ILE A 100 10.211 -3.072 -2.948 1.00 0.00 H new ATOM 0 HB ILE A 100 7.688 -3.429 -1.276 1.00 0.00 H new ATOM 0 HG12 ILE A 100 9.014 -5.274 -3.300 1.00 0.00 H new ATOM 0 HG13 ILE A 100 9.144 -5.449 -1.561 1.00 0.00 H new ATOM 0 HG21 ILE A 100 6.494 -3.591 -3.422 1.00 0.00 H new ATOM 0 HG22 ILE A 100 7.245 -1.993 -3.200 1.00 0.00 H new ATOM 0 HG23 ILE A 100 7.997 -3.187 -4.284 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.462 -6.972 -2.472 1.00 0.00 H new ATOM 0 HD12 ILE A 100 6.703 -5.773 -1.397 1.00 0.00 H new ATOM 0 HD13 ILE A 100 6.571 -5.595 -3.163 1.00 0.00 H new ATOM 1597 N PRO A 101 9.500 -0.632 -3.103 1.00 0.00 N ATOM 1598 CA PRO A 101 9.289 0.820 -3.140 1.00 0.00 C ATOM 1599 C PRO A 101 7.895 1.214 -2.663 1.00 0.00 C ATOM 1600 O PRO A 101 7.142 0.381 -2.160 1.00 0.00 O ATOM 1601 CB PRO A 101 9.473 1.183 -4.621 1.00 0.00 C ATOM 1602 CG PRO A 101 9.358 -0.107 -5.359 1.00 0.00 C ATOM 1603 CD PRO A 101 9.865 -1.164 -4.424 1.00 0.00 C ATOM 0 HA PRO A 101 9.978 1.344 -2.477 1.00 0.00 H new ATOM 0 HB2 PRO A 101 8.714 1.893 -4.949 1.00 0.00 H new ATOM 0 HB3 PRO A 101 10.442 1.650 -4.794 1.00 0.00 H new ATOM 0 HG2 PRO A 101 8.324 -0.302 -5.645 1.00 0.00 H new ATOM 0 HG3 PRO A 101 9.944 -0.085 -6.278 1.00 0.00 H new ATOM 0 HD2 PRO A 101 9.398 -2.130 -4.614 1.00 0.00 H new ATOM 0 HD3 PRO A 101 10.941 -1.306 -4.520 1.00 0.00 H new ATOM 1611 N LYS A 102 7.560 2.489 -2.824 1.00 0.00 N ATOM 1612 CA LYS A 102 6.258 2.998 -2.410 1.00 0.00 C ATOM 1613 C LYS A 102 5.393 3.332 -3.623 1.00 0.00 C ATOM 1614 O LYS A 102 5.092 4.498 -3.880 1.00 0.00 O ATOM 1615 CB LYS A 102 6.432 4.238 -1.531 1.00 0.00 C ATOM 1616 CG LYS A 102 5.146 4.697 -0.861 1.00 0.00 C ATOM 1617 CD LYS A 102 4.893 6.179 -1.090 1.00 0.00 C ATOM 1618 CE LYS A 102 3.411 6.472 -1.260 1.00 0.00 C ATOM 1619 NZ LYS A 102 3.044 6.669 -2.690 1.00 0.00 N ATOM 0 H LYS A 102 8.173 3.190 -3.239 1.00 0.00 H new ATOM 0 HA LYS A 102 5.755 2.221 -1.834 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.176 4.027 -0.763 1.00 0.00 H new ATOM 0 HB3 LYS A 102 6.825 5.052 -2.140 1.00 0.00 H new ATOM 0 HG2 LYS A 102 4.307 4.120 -1.249 1.00 0.00 H new ATOM 0 HG3 LYS A 102 5.202 4.498 0.209 1.00 0.00 H new ATOM 0 HD2 LYS A 102 5.283 6.750 -0.248 1.00 0.00 H new ATOM 0 HD3 LYS A 102 5.434 6.509 -1.977 1.00 0.00 H new ATOM 0 HE2 LYS A 102 2.828 5.649 -0.846 1.00 0.00 H new ATOM 0 HE3 LYS A 102 3.150 7.365 -0.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 2.009 6.647 -2.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 3.403 7.588 -3.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 3.463 5.910 -3.264 1.00 0.00 H new ATOM 1633 N ILE A 103 5.000 2.302 -4.364 1.00 0.00 N ATOM 1634 CA ILE A 103 4.171 2.492 -5.551 1.00 0.00 C ATOM 1635 C ILE A 103 3.352 1.246 -5.870 1.00 0.00 C ATOM 1636 O ILE A 103 2.193 1.348 -6.273 1.00 0.00 O ATOM 1637 CB ILE A 103 5.022 2.879 -6.777 1.00 0.00 C ATOM 1638 CG1 ILE A 103 4.128 3.152 -7.987 1.00 0.00 C ATOM 1639 CG2 ILE A 103 6.033 1.785 -7.091 1.00 0.00 C ATOM 1640 CD1 ILE A 103 3.290 4.405 -7.848 1.00 0.00 C ATOM 0 H ILE A 103 5.240 1.331 -4.166 1.00 0.00 H new ATOM 0 HA ILE A 103 3.487 3.310 -5.326 1.00 0.00 H new ATOM 0 HB ILE A 103 5.568 3.793 -6.543 1.00 0.00 H new ATOM 0 HG12 ILE A 103 4.751 3.238 -8.877 1.00 0.00 H new ATOM 0 HG13 ILE A 103 3.468 2.298 -8.141 1.00 0.00 H new ATOM 0 HG21 ILE A 103 6.625 2.075 -7.959 1.00 0.00 H new ATOM 0 HG22 ILE A 103 6.691 1.641 -6.234 1.00 0.00 H new ATOM 0 HG23 ILE A 103 5.507 0.854 -7.305 1.00 0.00 H new ATOM 0 HD11 ILE A 103 2.681 4.536 -8.742 1.00 0.00 H new ATOM 0 HD12 ILE A 103 2.641 4.314 -6.977 1.00 0.00 H new ATOM 0 HD13 ILE A 103 3.944 5.268 -7.724 1.00 0.00 H new ATOM 1652 N LEU A 104 3.942 0.067 -5.684 1.00 0.00 N ATOM 1653 CA LEU A 104 3.229 -1.175 -5.956 1.00 0.00 C ATOM 1654 C LEU A 104 1.953 -1.243 -5.121 1.00 0.00 C ATOM 1655 O LEU A 104 0.854 -1.290 -5.670 1.00 0.00 O ATOM 1656 CB LEU A 104 4.102 -2.409 -5.687 1.00 0.00 C ATOM 1657 CG LEU A 104 3.353 -3.749 -5.750 1.00 0.00 C ATOM 1658 CD1 LEU A 104 3.073 -4.137 -7.194 1.00 0.00 C ATOM 1659 CD2 LEU A 104 4.139 -4.847 -5.047 1.00 0.00 C ATOM 0 H LEU A 104 4.899 -0.052 -5.351 1.00 0.00 H new ATOM 0 HA LEU A 104 2.971 -1.179 -7.015 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.915 -2.428 -6.413 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.557 -2.308 -4.702 1.00 0.00 H new ATOM 0 HG LEU A 104 2.402 -3.628 -5.232 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.542 -5.089 -7.219 1.00 0.00 H new ATOM 0 HD12 LEU A 104 2.461 -3.368 -7.665 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.015 -4.233 -7.734 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.587 -5.785 -5.106 1.00 0.00 H new ATOM 0 HD22 LEU A 104 5.109 -4.966 -5.530 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.285 -4.577 -4.001 1.00 0.00 H new ATOM 1671 N PRO A 105 2.076 -1.227 -3.775 1.00 0.00 N ATOM 1672 CA PRO A 105 0.920 -1.272 -2.877 1.00 0.00 C ATOM 1673 C PRO A 105 -0.136 -0.261 -3.294 1.00 0.00 C ATOM 1674 O PRO A 105 -1.338 -0.506 -3.181 1.00 0.00 O ATOM 1675 CB PRO A 105 1.497 -0.916 -1.498 1.00 0.00 C ATOM 1676 CG PRO A 105 2.913 -0.496 -1.740 1.00 0.00 C ATOM 1677 CD PRO A 105 3.335 -1.147 -3.026 1.00 0.00 C ATOM 0 HA PRO A 105 0.427 -2.244 -2.887 1.00 0.00 H new ATOM 0 HB2 PRO A 105 0.926 -0.113 -1.031 1.00 0.00 H new ATOM 0 HB3 PRO A 105 1.453 -1.771 -0.824 1.00 0.00 H new ATOM 0 HG2 PRO A 105 2.989 0.589 -1.811 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.557 -0.808 -0.917 1.00 0.00 H new ATOM 0 HD2 PRO A 105 4.083 -0.555 -3.553 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.769 -2.132 -2.858 1.00 0.00 H new ATOM 1685 N ILE A 106 0.335 0.872 -3.796 1.00 0.00 N ATOM 1686 CA ILE A 106 -0.543 1.930 -4.258 1.00 0.00 C ATOM 1687 C ILE A 106 -1.309 1.468 -5.492 1.00 0.00 C ATOM 1688 O ILE A 106 -2.473 1.821 -5.689 1.00 0.00 O ATOM 1689 CB ILE A 106 0.259 3.207 -4.574 1.00 0.00 C ATOM 1690 CG1 ILE A 106 0.867 3.783 -3.294 1.00 0.00 C ATOM 1691 CG2 ILE A 106 -0.604 4.248 -5.270 1.00 0.00 C ATOM 1692 CD1 ILE A 106 2.146 3.098 -2.873 1.00 0.00 C ATOM 0 H ILE A 106 1.329 1.080 -3.893 1.00 0.00 H new ATOM 0 HA ILE A 106 -1.253 2.162 -3.465 1.00 0.00 H new ATOM 0 HB ILE A 106 1.065 2.936 -5.256 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.064 4.845 -3.441 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.139 3.703 -2.487 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -0.007 5.136 -5.478 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -0.984 3.839 -6.206 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -1.441 4.517 -4.625 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.521 3.558 -1.959 1.00 0.00 H new ATOM 0 HD12 ILE A 106 1.951 2.041 -2.694 1.00 0.00 H new ATOM 0 HD13 ILE A 106 2.891 3.201 -3.662 1.00 0.00 H new ATOM 1704 N ARG A 107 -0.646 0.659 -6.309 1.00 0.00 N ATOM 1705 CA ARG A 107 -1.255 0.123 -7.516 1.00 0.00 C ATOM 1706 C ARG A 107 -2.113 -1.094 -7.188 1.00 0.00 C ATOM 1707 O ARG A 107 -3.081 -1.385 -7.886 1.00 0.00 O ATOM 1708 CB ARG A 107 -0.175 -0.255 -8.534 1.00 0.00 C ATOM 1709 CG ARG A 107 -0.478 0.222 -9.944 1.00 0.00 C ATOM 1710 CD ARG A 107 -0.219 1.711 -10.100 1.00 0.00 C ATOM 1711 NE ARG A 107 -1.238 2.363 -10.917 1.00 0.00 N ATOM 1712 CZ ARG A 107 -1.092 3.569 -11.461 1.00 0.00 C ATOM 1713 NH1 ARG A 107 0.028 4.257 -11.275 1.00 0.00 N ATOM 1714 NH2 ARG A 107 -2.067 4.089 -12.192 1.00 0.00 N ATOM 0 H ARG A 107 0.317 0.360 -6.155 1.00 0.00 H new ATOM 0 HA ARG A 107 -1.894 0.893 -7.949 1.00 0.00 H new ATOM 0 HB2 ARG A 107 0.778 0.166 -8.214 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -0.058 -1.339 -8.543 1.00 0.00 H new ATOM 0 HG2 ARG A 107 0.136 -0.331 -10.655 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -1.519 0.006 -10.186 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -0.190 2.179 -9.116 1.00 0.00 H new ATOM 0 HD3 ARG A 107 0.760 1.863 -10.554 1.00 0.00 H new ATOM 0 HE ARG A 107 -2.113 1.865 -11.081 1.00 0.00 H new ATOM 0 HH11 ARG A 107 0.782 3.862 -10.713 1.00 0.00 H new ATOM 0 HH12 ARG A 107 0.135 5.181 -11.694 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -2.930 3.565 -12.338 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -1.955 5.013 -12.609 1.00 0.00 H new ATOM 1728 N ILE A 108 -1.758 -1.801 -6.113 1.00 0.00 N ATOM 1729 CA ILE A 108 -2.510 -2.982 -5.698 1.00 0.00 C ATOM 1730 C ILE A 108 -3.923 -2.596 -5.292 1.00 0.00 C ATOM 1731 O ILE A 108 -4.889 -3.228 -5.708 1.00 0.00 O ATOM 1732 CB ILE A 108 -1.838 -3.724 -4.521 1.00 0.00 C ATOM 1733 CG1 ILE A 108 -0.324 -3.734 -4.684 1.00 0.00 C ATOM 1734 CG2 ILE A 108 -2.355 -5.153 -4.423 1.00 0.00 C ATOM 1735 CD1 ILE A 108 0.134 -4.363 -5.980 1.00 0.00 C ATOM 0 H ILE A 108 -0.960 -1.577 -5.519 1.00 0.00 H new ATOM 0 HA ILE A 108 -2.533 -3.653 -6.556 1.00 0.00 H new ATOM 0 HB ILE A 108 -2.089 -3.193 -3.603 1.00 0.00 H new ATOM 0 HG12 ILE A 108 0.047 -2.710 -4.634 1.00 0.00 H new ATOM 0 HG13 ILE A 108 0.121 -4.275 -3.849 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -1.870 -5.659 -3.588 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -3.433 -5.140 -4.262 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -2.133 -5.685 -5.348 1.00 0.00 H new ATOM 0 HD11 ILE A 108 1.222 -4.337 -6.032 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -0.207 -5.397 -6.023 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -0.283 -3.808 -6.821 1.00 0.00 H new ATOM 1747 N LEU A 109 -4.039 -1.546 -4.484 1.00 0.00 N ATOM 1748 CA LEU A 109 -5.345 -1.082 -4.040 1.00 0.00 C ATOM 1749 C LEU A 109 -6.054 -0.352 -5.169 1.00 0.00 C ATOM 1750 O LEU A 109 -7.203 -0.655 -5.488 1.00 0.00 O ATOM 1751 CB LEU A 109 -5.215 -0.184 -2.810 1.00 0.00 C ATOM 1752 CG LEU A 109 -4.770 -0.895 -1.523 1.00 0.00 C ATOM 1753 CD1 LEU A 109 -5.009 -2.398 -1.616 1.00 0.00 C ATOM 1754 CD2 LEU A 109 -3.304 -0.609 -1.239 1.00 0.00 C ATOM 0 H LEU A 109 -3.251 -1.006 -4.127 1.00 0.00 H new ATOM 0 HA LEU A 109 -5.942 -1.949 -3.758 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -4.501 0.609 -3.033 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -6.177 0.295 -2.627 1.00 0.00 H new ATOM 0 HG LEU A 109 -5.369 -0.508 -0.699 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.685 -2.876 -0.691 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -6.071 -2.589 -1.770 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -4.442 -2.805 -2.453 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.004 -1.120 -0.324 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.696 -0.966 -2.070 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.159 0.465 -1.119 1.00 0.00 H new ATOM 1766 N SER A 110 -5.356 0.588 -5.799 1.00 0.00 N ATOM 1767 CA SER A 110 -5.930 1.319 -6.917 1.00 0.00 C ATOM 1768 C SER A 110 -6.226 0.348 -8.052 1.00 0.00 C ATOM 1769 O SER A 110 -7.143 0.556 -8.847 1.00 0.00 O ATOM 1770 CB SER A 110 -4.980 2.421 -7.391 1.00 0.00 C ATOM 1771 OG SER A 110 -5.620 3.284 -8.315 1.00 0.00 O ATOM 0 H SER A 110 -4.403 0.857 -5.556 1.00 0.00 H new ATOM 0 HA SER A 110 -6.857 1.793 -6.594 1.00 0.00 H new ATOM 0 HB2 SER A 110 -4.629 2.996 -6.534 1.00 0.00 H new ATOM 0 HB3 SER A 110 -4.101 1.973 -7.855 1.00 0.00 H new ATOM 0 HG SER A 110 -4.992 3.980 -8.601 1.00 0.00 H new ATOM 1777 N GLY A 111 -5.450 -0.732 -8.098 1.00 0.00 N ATOM 1778 CA GLY A 111 -5.644 -1.749 -9.108 1.00 0.00 C ATOM 1779 C GLY A 111 -6.812 -2.643 -8.761 1.00 0.00 C ATOM 1780 O GLY A 111 -7.672 -2.906 -9.601 1.00 0.00 O ATOM 0 H GLY A 111 -4.687 -0.918 -7.448 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -5.818 -1.277 -10.075 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -4.739 -2.349 -9.204 1.00 0.00 H new ATOM 1784 N LEU A 112 -6.862 -3.088 -7.503 1.00 0.00 N ATOM 1785 CA LEU A 112 -7.961 -3.926 -7.039 1.00 0.00 C ATOM 1786 C LEU A 112 -9.270 -3.186 -7.262 1.00 0.00 C ATOM 1787 O LEU A 112 -10.304 -3.792 -7.543 1.00 0.00 O ATOM 1788 CB LEU A 112 -7.801 -4.274 -5.551 1.00 0.00 C ATOM 1789 CG LEU A 112 -6.671 -5.255 -5.213 1.00 0.00 C ATOM 1790 CD1 LEU A 112 -6.085 -4.946 -3.843 1.00 0.00 C ATOM 1791 CD2 LEU A 112 -7.169 -6.690 -5.251 1.00 0.00 C ATOM 0 H LEU A 112 -6.158 -2.882 -6.795 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.958 -4.859 -7.602 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.633 -3.350 -4.997 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -8.741 -4.694 -5.192 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.891 -5.138 -5.965 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -5.285 -5.653 -3.622 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -5.685 -3.932 -3.839 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -6.865 -5.032 -3.086 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.349 -7.366 -5.008 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.971 -6.816 -4.524 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.544 -6.919 -6.249 1.00 0.00 H new ATOM 1803 N GLN A 113 -9.204 -1.860 -7.159 1.00 0.00 N ATOM 1804 CA GLN A 113 -10.367 -1.021 -7.376 1.00 0.00 C ATOM 1805 C GLN A 113 -10.696 -0.963 -8.865 1.00 0.00 C ATOM 1806 O GLN A 113 -11.803 -0.587 -9.252 1.00 0.00 O ATOM 1807 CB GLN A 113 -10.119 0.388 -6.834 1.00 0.00 C ATOM 1808 CG GLN A 113 -10.870 0.686 -5.548 1.00 0.00 C ATOM 1809 CD GLN A 113 -10.718 2.128 -5.104 1.00 0.00 C ATOM 1810 OE1 GLN A 113 -11.220 3.046 -5.755 1.00 0.00 O ATOM 1811 NE2 GLN A 113 -10.022 2.335 -3.992 1.00 0.00 N ATOM 0 H GLN A 113 -8.353 -1.348 -6.926 1.00 0.00 H new ATOM 0 HA GLN A 113 -11.214 -1.452 -6.842 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -9.051 0.518 -6.660 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -10.409 1.116 -7.592 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -11.928 0.463 -5.689 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -10.508 0.027 -4.759 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -9.624 1.545 -3.485 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -9.885 3.284 -3.645 1.00 0.00 H new ATOM 1820 N GLU A 114 -9.727 -1.349 -9.701 1.00 0.00 N ATOM 1821 CA GLU A 114 -9.928 -1.349 -11.139 1.00 0.00 C ATOM 1822 C GLU A 114 -10.833 -2.502 -11.549 1.00 0.00 C ATOM 1823 O GLU A 114 -11.457 -2.465 -12.608 1.00 0.00 O ATOM 1824 CB GLU A 114 -8.582 -1.450 -11.864 1.00 0.00 C ATOM 1825 CG GLU A 114 -8.436 -0.469 -13.015 1.00 0.00 C ATOM 1826 CD GLU A 114 -7.698 0.793 -12.613 1.00 0.00 C ATOM 1827 OE1 GLU A 114 -8.263 1.590 -11.836 1.00 0.00 O ATOM 1828 OE2 GLU A 114 -6.553 0.984 -13.077 1.00 0.00 O ATOM 0 H GLU A 114 -8.804 -1.662 -9.401 1.00 0.00 H new ATOM 0 HA GLU A 114 -10.408 -0.412 -11.421 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -7.779 -1.278 -11.147 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -8.459 -2.464 -12.244 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -7.903 -0.952 -13.834 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -9.425 -0.204 -13.390 1.00 0.00 H new ATOM 1835 N TYR A 115 -10.902 -3.531 -10.702 1.00 0.00 N ATOM 1836 CA TYR A 115 -11.736 -4.685 -10.991 1.00 0.00 C ATOM 1837 C TYR A 115 -13.177 -4.441 -10.538 1.00 0.00 C ATOM 1838 O TYR A 115 -13.967 -3.860 -11.281 1.00 0.00 O ATOM 1839 CB TYR A 115 -11.156 -5.938 -10.332 1.00 0.00 C ATOM 1840 CG TYR A 115 -9.876 -6.414 -10.979 1.00 0.00 C ATOM 1841 CD1 TYR A 115 -9.788 -7.677 -11.549 1.00 0.00 C ATOM 1842 CD2 TYR A 115 -8.757 -5.593 -11.025 1.00 0.00 C ATOM 1843 CE1 TYR A 115 -8.620 -8.108 -12.147 1.00 0.00 C ATOM 1844 CE2 TYR A 115 -7.583 -6.018 -11.621 1.00 0.00 C ATOM 1845 CZ TYR A 115 -7.521 -7.277 -12.179 1.00 0.00 C ATOM 1846 OH TYR A 115 -6.358 -7.702 -12.776 1.00 0.00 O ATOM 0 H TYR A 115 -10.393 -3.583 -9.820 1.00 0.00 H new ATOM 0 HA TYR A 115 -11.749 -4.842 -12.070 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -10.968 -5.732 -9.278 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -11.896 -6.738 -10.374 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -10.646 -8.332 -11.524 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -8.804 -4.606 -10.588 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -8.568 -9.093 -12.588 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -6.721 -5.368 -11.649 1.00 0.00 H new ATOM 0 HH TYR A 115 -5.681 -6.996 -12.713 1.00 0.00 H new ATOM 1856 N GLU A 116 -13.512 -4.882 -9.319 1.00 0.00 N ATOM 1857 CA GLU A 116 -14.859 -4.708 -8.764 1.00 0.00 C ATOM 1858 C GLU A 116 -15.117 -5.709 -7.637 1.00 0.00 C ATOM 1859 O GLU A 116 -15.968 -5.479 -6.777 1.00 0.00 O ATOM 1860 CB GLU A 116 -15.933 -4.873 -9.852 1.00 0.00 C ATOM 1861 CG GLU A 116 -17.345 -5.029 -9.308 1.00 0.00 C ATOM 1862 CD GLU A 116 -18.386 -4.375 -10.196 1.00 0.00 C ATOM 1863 OE1 GLU A 116 -18.459 -3.127 -10.205 1.00 0.00 O ATOM 1864 OE2 GLU A 116 -19.127 -5.108 -10.883 1.00 0.00 O ATOM 0 H GLU A 116 -12.864 -5.364 -8.696 1.00 0.00 H new ATOM 0 HA GLU A 116 -14.918 -3.696 -8.363 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -15.903 -4.006 -10.513 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -15.690 -5.745 -10.459 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -17.576 -6.089 -9.204 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -17.397 -4.592 -8.311 1.00 0.00 H new ATOM 1871 N SER A 117 -14.394 -6.823 -7.654 1.00 0.00 N ATOM 1872 CA SER A 117 -14.565 -7.859 -6.638 1.00 0.00 C ATOM 1873 C SER A 117 -13.609 -7.661 -5.464 1.00 0.00 C ATOM 1874 O SER A 117 -13.929 -6.942 -4.516 1.00 0.00 O ATOM 1875 CB SER A 117 -14.374 -9.245 -7.263 1.00 0.00 C ATOM 1876 OG SER A 117 -15.537 -9.652 -7.963 1.00 0.00 O ATOM 0 H SER A 117 -13.686 -7.033 -8.357 1.00 0.00 H new ATOM 0 HA SER A 117 -15.580 -7.782 -6.247 1.00 0.00 H new ATOM 0 HB2 SER A 117 -13.523 -9.226 -7.944 1.00 0.00 H new ATOM 0 HB3 SER A 117 -14.142 -9.970 -6.483 1.00 0.00 H new ATOM 0 HG SER A 117 -15.390 -10.538 -8.354 1.00 0.00 H new ATOM 1882 N ASN A 118 -12.442 -8.307 -5.521 1.00 0.00 N ATOM 1883 CA ASN A 118 -11.448 -8.209 -4.451 1.00 0.00 C ATOM 1884 C ASN A 118 -12.116 -8.257 -3.077 1.00 0.00 C ATOM 1885 O ASN A 118 -11.639 -7.644 -2.122 1.00 0.00 O ATOM 1886 CB ASN A 118 -10.631 -6.920 -4.592 1.00 0.00 C ATOM 1887 CG ASN A 118 -11.493 -5.711 -4.901 1.00 0.00 C ATOM 1888 OD1 ASN A 118 -11.935 -5.001 -3.999 1.00 0.00 O ATOM 1889 ND2 ASN A 118 -11.735 -5.471 -6.184 1.00 0.00 N ATOM 0 H ASN A 118 -12.162 -8.905 -6.299 1.00 0.00 H new ATOM 0 HA ASN A 118 -10.777 -9.064 -4.538 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -10.080 -6.741 -3.669 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -9.893 -7.047 -5.384 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -12.308 -4.671 -6.454 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -11.348 -6.086 -6.900 1.00 0.00 H new ATOM 1896 N ALA A 119 -13.235 -8.973 -2.993 1.00 0.00 N ATOM 1897 CA ALA A 119 -13.984 -9.078 -1.745 1.00 0.00 C ATOM 1898 C ALA A 119 -13.872 -10.459 -1.106 1.00 0.00 C ATOM 1899 O ALA A 119 -14.797 -10.906 -0.428 1.00 0.00 O ATOM 1900 CB ALA A 119 -15.442 -8.732 -1.992 1.00 0.00 C ATOM 0 H ALA A 119 -13.642 -9.488 -3.774 1.00 0.00 H new ATOM 0 HA ALA A 119 -13.546 -8.368 -1.043 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -15.998 -8.812 -1.058 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -15.515 -7.713 -2.372 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -15.861 -9.423 -2.724 1.00 0.00 H new ATOM 1906 N THR A 120 -12.741 -11.131 -1.299 1.00 0.00 N ATOM 1907 CA THR A 120 -12.545 -12.447 -0.705 1.00 0.00 C ATOM 1908 C THR A 120 -11.093 -12.627 -0.293 1.00 0.00 C ATOM 1909 O THR A 120 -10.201 -11.962 -0.819 1.00 0.00 O ATOM 1910 CB THR A 120 -12.966 -13.563 -1.673 1.00 0.00 C ATOM 1911 OG1 THR A 120 -11.834 -14.169 -2.272 1.00 0.00 O ATOM 1912 CG2 THR A 120 -13.876 -13.092 -2.790 1.00 0.00 C ATOM 0 H THR A 120 -11.956 -10.791 -1.855 1.00 0.00 H new ATOM 0 HA THR A 120 -13.177 -12.514 0.181 1.00 0.00 H new ATOM 0 HB THR A 120 -13.517 -14.273 -1.056 1.00 0.00 H new ATOM 0 HG1 THR A 120 -12.104 -15.000 -2.715 1.00 0.00 H new ATOM 0 HG21 THR A 120 -14.130 -13.935 -3.432 1.00 0.00 H new ATOM 0 HG22 THR A 120 -14.787 -12.672 -2.364 1.00 0.00 H new ATOM 0 HG23 THR A 120 -13.365 -12.329 -3.378 1.00 0.00 H new ATOM 1920 N ASN A 121 -10.855 -13.535 0.646 1.00 0.00 N ATOM 1921 CA ASN A 121 -9.500 -13.797 1.113 1.00 0.00 C ATOM 1922 C ASN A 121 -8.739 -14.668 0.124 1.00 0.00 C ATOM 1923 O ASN A 121 -7.743 -15.298 0.478 1.00 0.00 O ATOM 1924 CB ASN A 121 -9.523 -14.462 2.492 1.00 0.00 C ATOM 1925 CG ASN A 121 -10.485 -15.633 2.553 1.00 0.00 C ATOM 1926 OD1 ASN A 121 -10.116 -16.770 2.258 1.00 0.00 O ATOM 1927 ND2 ASN A 121 -11.724 -15.359 2.941 1.00 0.00 N ATOM 0 H ASN A 121 -11.577 -14.098 1.096 1.00 0.00 H new ATOM 0 HA ASN A 121 -8.985 -12.840 1.194 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -8.520 -14.806 2.743 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -9.805 -13.724 3.243 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -12.416 -16.106 3.005 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -11.985 -14.401 3.176 1.00 0.00 H new ATOM 1934 N GLU A 122 -9.205 -14.690 -1.120 1.00 0.00 N ATOM 1935 CA GLU A 122 -8.557 -15.467 -2.155 1.00 0.00 C ATOM 1936 C GLU A 122 -9.037 -15.000 -3.516 1.00 0.00 C ATOM 1937 O GLU A 122 -9.016 -15.755 -4.488 1.00 0.00 O ATOM 1938 CB GLU A 122 -8.850 -16.958 -1.973 1.00 0.00 C ATOM 1939 CG GLU A 122 -7.851 -17.865 -2.671 1.00 0.00 C ATOM 1940 CD GLU A 122 -6.744 -18.336 -1.749 1.00 0.00 C ATOM 1941 OE1 GLU A 122 -5.613 -17.820 -1.869 1.00 0.00 O ATOM 1942 OE2 GLU A 122 -7.008 -19.217 -0.907 1.00 0.00 O ATOM 0 H GLU A 122 -10.030 -14.176 -1.430 1.00 0.00 H new ATOM 0 HA GLU A 122 -7.479 -15.321 -2.084 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -8.857 -17.191 -0.908 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -9.849 -17.172 -2.353 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -8.374 -18.731 -3.076 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -7.413 -17.334 -3.516 1.00 0.00 H new ATOM 1949 N LEU A 123 -9.473 -13.743 -3.581 1.00 0.00 N ATOM 1950 CA LEU A 123 -9.957 -13.180 -4.820 1.00 0.00 C ATOM 1951 C LEU A 123 -9.212 -11.895 -5.109 1.00 0.00 C ATOM 1952 O LEU A 123 -8.679 -11.699 -6.200 1.00 0.00 O ATOM 1953 CB LEU A 123 -11.453 -12.933 -4.718 1.00 0.00 C ATOM 1954 CG LEU A 123 -12.123 -12.530 -6.017 1.00 0.00 C ATOM 1955 CD1 LEU A 123 -13.627 -12.579 -5.850 1.00 0.00 C ATOM 1956 CD2 LEU A 123 -11.660 -11.146 -6.428 1.00 0.00 C ATOM 0 H LEU A 123 -9.497 -13.104 -2.786 1.00 0.00 H new ATOM 0 HA LEU A 123 -9.781 -13.875 -5.641 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -11.931 -13.839 -4.345 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -11.628 -12.152 -3.978 1.00 0.00 H new ATOM 0 HG LEU A 123 -11.844 -13.227 -6.807 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -14.107 -12.289 -6.785 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -13.931 -13.592 -5.585 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -13.928 -11.892 -5.059 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -12.145 -10.863 -7.362 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -11.923 -10.429 -5.650 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -10.579 -11.150 -6.567 1.00 0.00 H new ATOM 1968 N LEU A 124 -9.142 -11.035 -4.106 1.00 0.00 N ATOM 1969 CA LEU A 124 -8.420 -9.788 -4.234 1.00 0.00 C ATOM 1970 C LEU A 124 -6.990 -10.096 -4.647 1.00 0.00 C ATOM 1971 O LEU A 124 -6.444 -9.483 -5.564 1.00 0.00 O ATOM 1972 CB LEU A 124 -8.470 -9.027 -2.913 1.00 0.00 C ATOM 1973 CG LEU A 124 -7.129 -8.808 -2.216 1.00 0.00 C ATOM 1974 CD1 LEU A 124 -7.087 -7.426 -1.606 1.00 0.00 C ATOM 1975 CD2 LEU A 124 -6.896 -9.884 -1.165 1.00 0.00 C ATOM 0 H LEU A 124 -9.578 -11.181 -3.195 1.00 0.00 H new ATOM 0 HA LEU A 124 -8.876 -9.156 -4.996 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -8.926 -8.054 -3.094 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -9.128 -9.565 -2.231 1.00 0.00 H new ATOM 0 HG LEU A 124 -6.327 -8.882 -2.950 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -6.128 -7.276 -1.110 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -7.211 -6.679 -2.390 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -7.892 -7.325 -0.878 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -5.936 -9.714 -0.677 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -7.693 -9.845 -0.422 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -6.892 -10.864 -1.642 1.00 0.00 H new ATOM 1987 N SER A 125 -6.399 -11.083 -3.971 1.00 0.00 N ATOM 1988 CA SER A 125 -5.038 -11.513 -4.271 1.00 0.00 C ATOM 1989 C SER A 125 -4.852 -11.658 -5.779 1.00 0.00 C ATOM 1990 O SER A 125 -3.759 -11.453 -6.310 1.00 0.00 O ATOM 1991 CB SER A 125 -4.743 -12.849 -3.584 1.00 0.00 C ATOM 1992 OG SER A 125 -5.486 -12.985 -2.383 1.00 0.00 O ATOM 0 H SER A 125 -6.845 -11.598 -3.212 1.00 0.00 H new ATOM 0 HA SER A 125 -4.345 -10.759 -3.897 1.00 0.00 H new ATOM 0 HB2 SER A 125 -4.986 -13.669 -4.259 1.00 0.00 H new ATOM 0 HB3 SER A 125 -3.678 -12.921 -3.365 1.00 0.00 H new ATOM 0 HG SER A 125 -5.209 -13.802 -1.918 1.00 0.00 H new ATOM 1998 N SER A 126 -5.941 -12.008 -6.458 1.00 0.00 N ATOM 1999 CA SER A 126 -5.917 -12.179 -7.901 1.00 0.00 C ATOM 2000 C SER A 126 -5.522 -10.894 -8.591 1.00 0.00 C ATOM 2001 O SER A 126 -4.541 -10.848 -9.334 1.00 0.00 O ATOM 2002 CB SER A 126 -7.294 -12.614 -8.390 1.00 0.00 C ATOM 2003 OG SER A 126 -7.195 -13.518 -9.476 1.00 0.00 O ATOM 0 H SER A 126 -6.850 -12.178 -6.028 1.00 0.00 H new ATOM 0 HA SER A 126 -5.179 -12.944 -8.143 1.00 0.00 H new ATOM 0 HB2 SER A 126 -7.840 -13.084 -7.572 1.00 0.00 H new ATOM 0 HB3 SER A 126 -7.867 -11.738 -8.695 1.00 0.00 H new ATOM 0 HG SER A 126 -8.094 -13.780 -9.766 1.00 0.00 H new ATOM 2009 N HIS A 127 -6.288 -9.849 -8.339 1.00 0.00 N ATOM 2010 CA HIS A 127 -6.011 -8.561 -8.938 1.00 0.00 C ATOM 2011 C HIS A 127 -4.618 -8.104 -8.544 1.00 0.00 C ATOM 2012 O HIS A 127 -3.900 -7.525 -9.346 1.00 0.00 O ATOM 2013 CB HIS A 127 -7.055 -7.527 -8.519 1.00 0.00 C ATOM 2014 CG HIS A 127 -8.460 -8.045 -8.548 1.00 0.00 C ATOM 2015 ND1 HIS A 127 -9.524 -7.371 -7.982 1.00 0.00 N ATOM 2016 CD2 HIS A 127 -8.978 -9.177 -9.082 1.00 0.00 C ATOM 2017 CE1 HIS A 127 -10.632 -8.066 -8.169 1.00 0.00 C ATOM 2018 NE2 HIS A 127 -10.328 -9.164 -8.834 1.00 0.00 N ATOM 0 H HIS A 127 -7.103 -9.868 -7.726 1.00 0.00 H new ATOM 0 HA HIS A 127 -6.060 -8.661 -10.022 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -6.826 -7.180 -7.512 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -6.982 -6.662 -9.178 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -8.431 -9.947 -9.606 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -11.619 -7.783 -7.834 1.00 0.00 H new ATOM 0 HE2 HIS A 127 -10.989 -9.887 -9.118 1.00 0.00 H new ATOM 2027 N VAL A 128 -4.228 -8.389 -7.306 1.00 0.00 N ATOM 2028 CA VAL A 128 -2.902 -8.011 -6.836 1.00 0.00 C ATOM 2029 C VAL A 128 -1.836 -8.499 -7.806 1.00 0.00 C ATOM 2030 O VAL A 128 -0.922 -7.754 -8.162 1.00 0.00 O ATOM 2031 CB VAL A 128 -2.604 -8.570 -5.433 1.00 0.00 C ATOM 2032 CG1 VAL A 128 -1.248 -8.070 -4.936 1.00 0.00 C ATOM 2033 CG2 VAL A 128 -3.711 -8.191 -4.463 1.00 0.00 C ATOM 0 H VAL A 128 -4.804 -8.874 -6.618 1.00 0.00 H new ATOM 0 HA VAL A 128 -2.883 -6.923 -6.780 1.00 0.00 H new ATOM 0 HB VAL A 128 -2.564 -9.658 -5.493 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -1.053 -8.474 -3.943 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -0.466 -8.397 -5.621 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -1.257 -6.981 -4.889 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -3.484 -8.594 -3.476 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -3.786 -7.105 -4.403 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -4.658 -8.601 -4.813 1.00 0.00 H new ATOM 2043 N GLY A 129 -1.960 -9.750 -8.246 1.00 0.00 N ATOM 2044 CA GLY A 129 -0.990 -10.287 -9.185 1.00 0.00 C ATOM 2045 C GLY A 129 -1.147 -9.693 -10.572 1.00 0.00 C ATOM 2046 O GLY A 129 -0.167 -9.295 -11.203 1.00 0.00 O ATOM 0 H GLY A 129 -2.704 -10.393 -7.974 1.00 0.00 H new ATOM 0 HA2 GLY A 129 0.017 -10.088 -8.818 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -1.101 -11.370 -9.240 1.00 0.00 H new ATOM 2050 N GLN A 130 -2.390 -9.623 -11.042 1.00 0.00 N ATOM 2051 CA GLN A 130 -2.686 -9.067 -12.359 1.00 0.00 C ATOM 2052 C GLN A 130 -2.369 -7.573 -12.405 1.00 0.00 C ATOM 2053 O GLN A 130 -2.134 -7.011 -13.472 1.00 0.00 O ATOM 2054 CB GLN A 130 -4.153 -9.304 -12.714 1.00 0.00 C ATOM 2055 CG GLN A 130 -4.485 -10.761 -12.987 1.00 0.00 C ATOM 2056 CD GLN A 130 -3.884 -11.265 -14.284 1.00 0.00 C ATOM 2057 OE1 GLN A 130 -4.531 -11.243 -15.332 1.00 0.00 O ATOM 2058 NE2 GLN A 130 -2.640 -11.724 -14.220 1.00 0.00 N ATOM 0 H GLN A 130 -3.210 -9.945 -10.529 1.00 0.00 H new ATOM 0 HA GLN A 130 -2.057 -9.573 -13.091 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -4.778 -8.944 -11.897 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -4.406 -8.712 -13.593 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -4.122 -11.373 -12.161 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -5.568 -10.882 -13.022 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -2.141 -11.723 -13.330 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -2.183 -12.077 -15.061 1.00 0.00 H new ATOM 2067 N ILE A 131 -2.347 -6.943 -11.233 1.00 0.00 N ATOM 2068 CA ILE A 131 -2.037 -5.524 -11.127 1.00 0.00 C ATOM 2069 C ILE A 131 -0.536 -5.348 -10.939 1.00 0.00 C ATOM 2070 O ILE A 131 0.044 -4.339 -11.334 1.00 0.00 O ATOM 2071 CB ILE A 131 -2.796 -4.869 -9.957 1.00 0.00 C ATOM 2072 CG1 ILE A 131 -4.296 -5.034 -10.147 1.00 0.00 C ATOM 2073 CG2 ILE A 131 -2.462 -3.389 -9.836 1.00 0.00 C ATOM 2074 CD1 ILE A 131 -5.051 -4.972 -8.850 1.00 0.00 C ATOM 0 H ILE A 131 -2.541 -7.397 -10.341 1.00 0.00 H new ATOM 0 HA ILE A 131 -2.355 -5.032 -12.046 1.00 0.00 H new ATOM 0 HB ILE A 131 -2.484 -5.369 -9.040 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -4.662 -4.254 -10.814 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -4.494 -5.989 -10.634 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -3.015 -2.958 -9.001 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -1.392 -3.270 -9.663 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -2.740 -2.877 -10.757 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -6.117 -5.095 -9.043 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -4.707 -5.769 -8.190 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -4.878 -4.007 -8.374 1.00 0.00 H new ATOM 2086 N LEU A 132 0.081 -6.366 -10.342 1.00 0.00 N ATOM 2087 CA LEU A 132 1.514 -6.374 -10.098 1.00 0.00 C ATOM 2088 C LEU A 132 2.278 -6.356 -11.420 1.00 0.00 C ATOM 2089 O LEU A 132 3.272 -5.644 -11.568 1.00 0.00 O ATOM 2090 CB LEU A 132 1.893 -7.623 -9.297 1.00 0.00 C ATOM 2091 CG LEU A 132 2.484 -7.360 -7.913 1.00 0.00 C ATOM 2092 CD1 LEU A 132 1.381 -7.145 -6.885 1.00 0.00 C ATOM 2093 CD2 LEU A 132 3.376 -8.516 -7.500 1.00 0.00 C ATOM 0 H LEU A 132 -0.401 -7.204 -10.016 1.00 0.00 H new ATOM 0 HA LEU A 132 1.780 -5.483 -9.528 1.00 0.00 H new ATOM 0 HB2 LEU A 132 1.004 -8.244 -9.182 1.00 0.00 H new ATOM 0 HB3 LEU A 132 2.613 -8.201 -9.877 1.00 0.00 H new ATOM 0 HG LEU A 132 3.084 -6.451 -7.960 1.00 0.00 H new ATOM 0 HD11 LEU A 132 1.826 -6.960 -5.907 1.00 0.00 H new ATOM 0 HD12 LEU A 132 0.774 -6.287 -7.176 1.00 0.00 H new ATOM 0 HD13 LEU A 132 0.752 -8.034 -6.835 1.00 0.00 H new ATOM 0 HD21 LEU A 132 3.793 -8.319 -6.512 1.00 0.00 H new ATOM 0 HD22 LEU A 132 2.790 -9.435 -7.470 1.00 0.00 H new ATOM 0 HD23 LEU A 132 4.187 -8.625 -8.220 1.00 0.00 H new ATOM 2105 N ASP A 133 1.804 -7.148 -12.377 1.00 0.00 N ATOM 2106 CA ASP A 133 2.437 -7.229 -13.688 1.00 0.00 C ATOM 2107 C ASP A 133 2.224 -5.940 -14.475 1.00 0.00 C ATOM 2108 O ASP A 133 3.131 -5.455 -15.151 1.00 0.00 O ATOM 2109 CB ASP A 133 1.882 -8.419 -14.474 1.00 0.00 C ATOM 2110 CG ASP A 133 2.879 -8.968 -15.474 1.00 0.00 C ATOM 2111 OD1 ASP A 133 2.805 -10.174 -15.786 1.00 0.00 O ATOM 2112 OD2 ASP A 133 3.735 -8.191 -15.947 1.00 0.00 O ATOM 0 H ASP A 133 0.983 -7.743 -12.268 1.00 0.00 H new ATOM 0 HA ASP A 133 3.508 -7.370 -13.539 1.00 0.00 H new ATOM 0 HB2 ASP A 133 1.597 -9.209 -13.779 1.00 0.00 H new ATOM 0 HB3 ASP A 133 0.976 -8.114 -14.998 1.00 0.00 H new ATOM 2117 N SER A 134 1.018 -5.390 -14.378 1.00 0.00 N ATOM 2118 CA SER A 134 0.681 -4.156 -15.077 1.00 0.00 C ATOM 2119 C SER A 134 1.181 -2.933 -14.309 1.00 0.00 C ATOM 2120 O SER A 134 1.255 -1.834 -14.859 1.00 0.00 O ATOM 2121 CB SER A 134 -0.832 -4.059 -15.279 1.00 0.00 C ATOM 2122 OG SER A 134 -1.238 -4.767 -16.438 1.00 0.00 O ATOM 0 H SER A 134 0.257 -5.780 -13.821 1.00 0.00 H new ATOM 0 HA SER A 134 1.174 -4.176 -16.049 1.00 0.00 H new ATOM 0 HB2 SER A 134 -1.345 -4.461 -14.405 1.00 0.00 H new ATOM 0 HB3 SER A 134 -1.124 -3.013 -15.367 1.00 0.00 H new ATOM 0 HG SER A 134 -2.209 -4.691 -16.544 1.00 0.00 H new ATOM 2128 N PHE A 135 1.522 -3.130 -13.036 1.00 0.00 N ATOM 2129 CA PHE A 135 2.013 -2.045 -12.197 1.00 0.00 C ATOM 2130 C PHE A 135 3.192 -1.330 -12.860 1.00 0.00 C ATOM 2131 O PHE A 135 3.143 -0.124 -13.095 1.00 0.00 O ATOM 2132 CB PHE A 135 2.411 -2.593 -10.816 1.00 0.00 C ATOM 2133 CG PHE A 135 3.608 -1.923 -10.197 1.00 0.00 C ATOM 2134 CD1 PHE A 135 4.710 -2.668 -9.811 1.00 0.00 C ATOM 2135 CD2 PHE A 135 3.629 -0.552 -10.004 1.00 0.00 C ATOM 2136 CE1 PHE A 135 5.813 -2.060 -9.244 1.00 0.00 C ATOM 2137 CE2 PHE A 135 4.730 0.064 -9.436 1.00 0.00 C ATOM 2138 CZ PHE A 135 5.822 -0.692 -9.057 1.00 0.00 C ATOM 0 H PHE A 135 1.466 -4.033 -12.565 1.00 0.00 H new ATOM 0 HA PHE A 135 1.215 -1.314 -12.068 1.00 0.00 H new ATOM 0 HB2 PHE A 135 1.562 -2.488 -10.140 1.00 0.00 H new ATOM 0 HB3 PHE A 135 2.615 -3.660 -10.908 1.00 0.00 H new ATOM 0 HD1 PHE A 135 4.707 -3.738 -9.955 1.00 0.00 H new ATOM 0 HD2 PHE A 135 2.777 0.043 -10.300 1.00 0.00 H new ATOM 0 HE1 PHE A 135 6.666 -2.653 -8.948 1.00 0.00 H new ATOM 0 HE2 PHE A 135 4.736 1.134 -9.289 1.00 0.00 H new ATOM 0 HZ PHE A 135 6.683 -0.213 -8.614 1.00 0.00 H new