USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 648 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 36 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 65 HIS : no HD1:sc= -0.782 X(o=-0.78,f=-0.75) USER MOD Single : A 15 SER OG : rot 18:sc= 0.0118 USER MOD Single : A 17 TYR OH : rot 158:sc= -0.476 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 153:sc= -0.851 USER MOD Single : A 29 SER OG : rot 45:sc= 0.255 USER MOD Single : A 30 SER OG : rot 59:sc= 0.122 USER MOD Single : A 35 ASN : amide:sc= -0.567 K(o=-0.57,f=-1.1) USER MOD Single : A 38 ASN : amide:sc= -0.339 X(o=-0.34,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.639 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00686) USER MOD Single : A 55 GLN : amide:sc= -0.677 K(o=-0.68,f=-4.4!) USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 180:sc= -4.21 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 178:sc= 0.117 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 167:sc= -3.34! (180deg=-3.5!) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 TYR OH : rot -22:sc= 1.07 USER MOD Single : A 82 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0471) USER MOD Single : A 83 TYR OH : rot 130:sc= -2.05 USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 88 HIS : no HD1:sc= -0.486 K(o=-0.49,f=-1) USER MOD Single : A 92 SER OG : rot 7:sc= 1.33 USER MOD Single : A 95 LYS NZ :NH3+ 141:sc= -1.66 (180deg=-5.02!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.111 USER MOD ----------------------------------------------------------------- ATOM 83 N ASP A 10 6.984 -17.034 0.949 1.00 0.00 N ATOM 84 CA ASP A 10 5.960 -17.331 1.944 1.00 0.00 C ATOM 85 C ASP A 10 5.275 -16.053 2.417 1.00 0.00 C ATOM 86 O ASP A 10 5.892 -15.175 3.019 1.00 0.00 O ATOM 87 CB ASP A 10 6.576 -18.065 3.136 1.00 0.00 C ATOM 88 CG ASP A 10 6.683 -19.560 2.904 1.00 0.00 C ATOM 89 OD1 ASP A 10 5.655 -20.256 3.041 1.00 0.00 O ATOM 90 OD2 ASP A 10 7.794 -20.032 2.585 1.00 0.00 O ATOM 0 HA ASP A 10 5.211 -17.972 1.479 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.568 -17.659 3.335 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.972 -17.881 4.024 1.00 0.00 H new ATOM 95 N PRO A 11 3.968 -15.945 2.137 1.00 0.00 N ATOM 96 CA PRO A 11 3.170 -14.777 2.524 1.00 0.00 C ATOM 97 C PRO A 11 2.954 -14.696 4.031 1.00 0.00 C ATOM 98 O PRO A 11 2.969 -13.612 4.613 1.00 0.00 O ATOM 99 CB PRO A 11 1.837 -15.004 1.805 1.00 0.00 C ATOM 100 CG PRO A 11 1.754 -16.480 1.619 1.00 0.00 C ATOM 101 CD PRO A 11 3.167 -16.953 1.422 1.00 0.00 C ATOM 0 HA PRO A 11 3.661 -13.841 2.256 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.000 -14.632 2.396 1.00 0.00 H new ATOM 0 HB3 PRO A 11 1.809 -14.482 0.848 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.300 -16.958 2.487 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.135 -16.730 0.757 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.317 -17.951 1.833 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.431 -17.000 0.366 1.00 0.00 H new ATOM 109 N GLY A 12 2.754 -15.851 4.659 1.00 0.00 N ATOM 110 CA GLY A 12 2.538 -15.888 6.094 1.00 0.00 C ATOM 111 C GLY A 12 3.629 -15.168 6.862 1.00 0.00 C ATOM 112 O GLY A 12 3.381 -14.614 7.934 1.00 0.00 O ATOM 0 H GLY A 12 2.738 -16.762 4.200 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.574 -15.434 6.325 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.489 -16.926 6.425 1.00 0.00 H new ATOM 116 N LEU A 13 4.840 -15.177 6.316 1.00 0.00 N ATOM 117 CA LEU A 13 5.974 -14.522 6.958 1.00 0.00 C ATOM 118 C LEU A 13 6.143 -13.097 6.441 1.00 0.00 C ATOM 119 O LEU A 13 7.225 -12.516 6.533 1.00 0.00 O ATOM 120 CB LEU A 13 7.255 -15.320 6.714 1.00 0.00 C ATOM 121 CG LEU A 13 7.168 -16.825 6.974 1.00 0.00 C ATOM 122 CD1 LEU A 13 8.527 -17.479 6.783 1.00 0.00 C ATOM 123 CD2 LEU A 13 6.636 -17.095 8.374 1.00 0.00 C ATOM 0 H LEU A 13 5.062 -15.631 5.430 1.00 0.00 H new ATOM 0 HA LEU A 13 5.779 -14.480 8.030 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.563 -15.167 5.680 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.042 -14.907 7.345 1.00 0.00 H new ATOM 0 HG LEU A 13 6.474 -17.259 6.254 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.446 -18.549 6.972 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.869 -17.316 5.761 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.243 -17.041 7.479 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.581 -18.171 8.541 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.304 -16.647 9.110 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.641 -16.661 8.475 1.00 0.00 H new ATOM 135 N VAL A 14 5.066 -12.537 5.900 1.00 0.00 N ATOM 136 CA VAL A 14 5.094 -11.178 5.372 1.00 0.00 C ATOM 137 C VAL A 14 4.024 -10.312 6.027 1.00 0.00 C ATOM 138 O VAL A 14 2.865 -10.712 6.133 1.00 0.00 O ATOM 139 CB VAL A 14 4.886 -11.165 3.846 1.00 0.00 C ATOM 140 CG1 VAL A 14 4.760 -9.738 3.336 1.00 0.00 C ATOM 141 CG2 VAL A 14 6.025 -11.891 3.147 1.00 0.00 C ATOM 0 H VAL A 14 4.163 -13.003 5.816 1.00 0.00 H new ATOM 0 HA VAL A 14 6.078 -10.769 5.601 1.00 0.00 H new ATOM 0 HB VAL A 14 3.958 -11.689 3.619 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.614 -9.749 2.256 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.907 -9.255 3.813 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.669 -9.185 3.573 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.862 -11.872 2.069 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.968 -11.397 3.380 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.062 -12.925 3.490 1.00 0.00 H new ATOM 151 N SER A 15 4.421 -9.121 6.464 1.00 0.00 N ATOM 152 CA SER A 15 3.497 -8.198 7.112 1.00 0.00 C ATOM 153 C SER A 15 3.769 -6.761 6.676 1.00 0.00 C ATOM 154 O SER A 15 4.834 -6.454 6.142 1.00 0.00 O ATOM 155 CB SER A 15 3.612 -8.311 8.634 1.00 0.00 C ATOM 156 OG SER A 15 2.900 -9.437 9.117 1.00 0.00 O ATOM 0 H SER A 15 5.376 -8.773 6.381 1.00 0.00 H new ATOM 0 HA SER A 15 2.484 -8.466 6.810 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.661 -8.391 8.918 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.225 -7.405 9.099 1.00 0.00 H new ATOM 0 HG SER A 15 2.726 -10.056 8.377 1.00 0.00 H new ATOM 162 N ALA A 16 2.797 -5.885 6.908 1.00 0.00 N ATOM 163 CA ALA A 16 2.931 -4.481 6.542 1.00 0.00 C ATOM 164 C ALA A 16 2.524 -3.571 7.696 1.00 0.00 C ATOM 165 O ALA A 16 1.515 -3.809 8.361 1.00 0.00 O ATOM 166 CB ALA A 16 2.096 -4.176 5.307 1.00 0.00 C ATOM 0 H ALA A 16 1.908 -6.123 7.348 1.00 0.00 H new ATOM 0 HA ALA A 16 3.980 -4.289 6.315 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.205 -3.124 5.045 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.436 -4.794 4.476 1.00 0.00 H new ATOM 0 HB3 ALA A 16 1.048 -4.391 5.514 1.00 0.00 H new ATOM 172 N TYR A 17 3.314 -2.529 7.928 1.00 0.00 N ATOM 173 CA TYR A 17 3.037 -1.585 9.005 1.00 0.00 C ATOM 174 C TYR A 17 3.226 -0.147 8.530 1.00 0.00 C ATOM 175 O TYR A 17 4.094 0.138 7.707 1.00 0.00 O ATOM 176 CB TYR A 17 3.948 -1.863 10.202 1.00 0.00 C ATOM 177 CG TYR A 17 5.421 -1.809 9.867 1.00 0.00 C ATOM 178 CD1 TYR A 17 6.078 -0.592 9.725 1.00 0.00 C ATOM 179 CD2 TYR A 17 6.157 -2.974 9.691 1.00 0.00 C ATOM 180 CE1 TYR A 17 7.424 -0.538 9.419 1.00 0.00 C ATOM 181 CE2 TYR A 17 7.503 -2.930 9.386 1.00 0.00 C ATOM 182 CZ TYR A 17 8.132 -1.710 9.250 1.00 0.00 C ATOM 183 OH TYR A 17 9.473 -1.661 8.945 1.00 0.00 O ATOM 0 H TYR A 17 4.151 -2.316 7.385 1.00 0.00 H new ATOM 0 HA TYR A 17 1.999 -1.714 9.310 1.00 0.00 H new ATOM 0 HB2 TYR A 17 3.735 -1.136 10.986 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.712 -2.847 10.607 1.00 0.00 H new ATOM 0 HD1 TYR A 17 5.526 0.327 9.856 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.668 -3.931 9.795 1.00 0.00 H new ATOM 0 HE1 TYR A 17 7.919 0.416 9.313 1.00 0.00 H new ATOM 0 HE2 TYR A 17 8.060 -3.846 9.255 1.00 0.00 H new ATOM 0 HH TYR A 17 9.899 -2.504 9.206 1.00 0.00 H new ATOM 193 N GLY A 18 2.404 0.756 9.058 1.00 0.00 N ATOM 194 CA GLY A 18 2.496 2.153 8.678 1.00 0.00 C ATOM 195 C GLY A 18 1.155 2.857 8.729 1.00 0.00 C ATOM 196 O GLY A 18 0.098 2.225 8.747 1.00 0.00 O ATOM 0 H GLY A 18 1.677 0.544 9.741 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.195 2.662 9.342 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.903 2.226 7.670 1.00 0.00 H new ATOM 200 N PRO A 19 1.186 4.198 8.754 1.00 0.00 N ATOM 201 CA PRO A 19 -0.028 5.017 8.804 1.00 0.00 C ATOM 202 C PRO A 19 -0.819 4.962 7.501 1.00 0.00 C ATOM 203 O PRO A 19 -2.026 5.200 7.486 1.00 0.00 O ATOM 204 CB PRO A 19 0.507 6.431 9.045 1.00 0.00 C ATOM 205 CG PRO A 19 1.893 6.409 8.498 1.00 0.00 C ATOM 206 CD PRO A 19 2.410 5.017 8.734 1.00 0.00 C ATOM 0 HA PRO A 19 -0.721 4.672 9.572 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.106 7.178 8.540 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.504 6.680 10.106 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.897 6.652 7.435 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.521 7.148 8.996 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.092 4.702 7.944 1.00 0.00 H new ATOM 0 HD3 PRO A 19 2.957 4.945 9.674 1.00 0.00 H new ATOM 214 N GLY A 20 -0.130 4.647 6.409 1.00 0.00 N ATOM 215 CA GLY A 20 -0.785 4.566 5.116 1.00 0.00 C ATOM 216 C GLY A 20 -1.831 3.470 5.064 1.00 0.00 C ATOM 217 O GLY A 20 -2.844 3.601 4.376 1.00 0.00 O ATOM 0 H GLY A 20 0.870 4.446 6.396 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.255 5.523 4.889 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.037 4.387 4.344 1.00 0.00 H new ATOM 221 N LEU A 21 -1.586 2.386 5.791 1.00 0.00 N ATOM 222 CA LEU A 21 -2.514 1.261 5.823 1.00 0.00 C ATOM 223 C LEU A 21 -3.726 1.579 6.693 1.00 0.00 C ATOM 224 O LEU A 21 -4.866 1.348 6.294 1.00 0.00 O ATOM 225 CB LEU A 21 -1.810 0.008 6.348 1.00 0.00 C ATOM 226 CG LEU A 21 -0.448 -0.305 5.728 1.00 0.00 C ATOM 227 CD1 LEU A 21 0.420 -1.079 6.709 1.00 0.00 C ATOM 228 CD2 LEU A 21 -0.618 -1.086 4.433 1.00 0.00 C ATOM 0 H LEU A 21 -0.753 2.262 6.366 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.858 1.077 4.805 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.681 0.112 7.425 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.466 -0.848 6.187 1.00 0.00 H new ATOM 0 HG LEU A 21 0.050 0.637 5.498 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.385 -1.293 6.250 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.570 -0.484 7.610 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.073 -2.015 6.971 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.362 -1.300 4.006 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.137 -2.022 4.638 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.201 -0.496 3.726 1.00 0.00 H new ATOM 240 N GLU A 22 -3.469 2.113 7.884 1.00 0.00 N ATOM 241 CA GLU A 22 -4.540 2.464 8.809 1.00 0.00 C ATOM 242 C GLU A 22 -5.254 3.735 8.357 1.00 0.00 C ATOM 243 O GLU A 22 -6.398 3.984 8.735 1.00 0.00 O ATOM 244 CB GLU A 22 -3.982 2.654 10.221 1.00 0.00 C ATOM 245 CG GLU A 22 -3.948 1.375 11.040 1.00 0.00 C ATOM 246 CD GLU A 22 -5.262 1.100 11.745 1.00 0.00 C ATOM 247 OE1 GLU A 22 -5.430 1.565 12.892 1.00 0.00 O ATOM 248 OE2 GLU A 22 -6.123 0.418 11.150 1.00 0.00 O ATOM 0 H GLU A 22 -2.530 2.311 8.230 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.261 1.646 8.818 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.972 3.058 10.152 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.586 3.395 10.745 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.707 0.536 10.387 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.150 1.442 11.780 1.00 0.00 H new ATOM 255 N GLY A 23 -4.570 4.535 7.546 1.00 0.00 N ATOM 256 CA GLY A 23 -5.154 5.770 7.056 1.00 0.00 C ATOM 257 C GLY A 23 -4.427 6.998 7.568 1.00 0.00 C ATOM 258 O GLY A 23 -3.494 6.889 8.363 1.00 0.00 O ATOM 0 H GLY A 23 -3.622 4.350 7.219 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.137 5.769 5.966 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.200 5.819 7.358 1.00 0.00 H new ATOM 262 N GLY A 24 -4.854 8.171 7.111 1.00 0.00 N ATOM 263 CA GLY A 24 -4.226 9.407 7.537 1.00 0.00 C ATOM 264 C GLY A 24 -5.097 10.620 7.278 1.00 0.00 C ATOM 265 O GLY A 24 -6.160 10.772 7.881 1.00 0.00 O ATOM 0 H GLY A 24 -5.624 8.287 6.453 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.999 9.347 8.601 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.277 9.527 7.015 1.00 0.00 H new ATOM 269 N THR A 25 -4.646 11.489 6.378 1.00 0.00 N ATOM 270 CA THR A 25 -5.391 12.697 6.042 1.00 0.00 C ATOM 271 C THR A 25 -5.471 12.891 4.532 1.00 0.00 C ATOM 272 O THR A 25 -4.666 12.340 3.781 1.00 0.00 O ATOM 273 CB THR A 25 -4.750 13.946 6.676 1.00 0.00 C ATOM 274 OG1 THR A 25 -4.817 13.860 8.103 1.00 0.00 O ATOM 275 CG2 THR A 25 -5.451 15.211 6.205 1.00 0.00 C ATOM 0 H THR A 25 -3.769 11.379 5.869 1.00 0.00 H new ATOM 0 HA THR A 25 -6.397 12.571 6.443 1.00 0.00 H new ATOM 0 HB THR A 25 -3.706 13.990 6.364 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.406 14.657 8.498 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.981 16.080 6.666 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.373 15.288 5.121 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.502 15.172 6.491 1.00 0.00 H new ATOM 283 N THR A 26 -6.447 13.679 4.093 1.00 0.00 N ATOM 284 CA THR A 26 -6.633 13.946 2.672 1.00 0.00 C ATOM 285 C THR A 26 -5.517 14.829 2.128 1.00 0.00 C ATOM 286 O THR A 26 -4.945 15.642 2.854 1.00 0.00 O ATOM 287 CB THR A 26 -7.989 14.625 2.401 1.00 0.00 C ATOM 288 OG1 THR A 26 -8.128 15.787 3.226 1.00 0.00 O ATOM 289 CG2 THR A 26 -9.138 13.666 2.668 1.00 0.00 C ATOM 0 H THR A 26 -7.121 14.144 4.701 1.00 0.00 H new ATOM 0 HA THR A 26 -6.610 12.982 2.163 1.00 0.00 H new ATOM 0 HB THR A 26 -8.020 14.919 1.352 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.722 16.431 2.787 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.085 14.168 2.470 1.00 0.00 H new ATOM 0 HG22 THR A 26 -9.045 12.797 2.017 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.109 13.344 3.709 1.00 0.00 H new ATOM 297 N GLY A 27 -5.210 14.665 0.845 1.00 0.00 N ATOM 298 CA GLY A 27 -4.163 15.456 0.225 1.00 0.00 C ATOM 299 C GLY A 27 -2.832 15.314 0.936 1.00 0.00 C ATOM 300 O GLY A 27 -1.923 16.120 0.736 1.00 0.00 O ATOM 0 H GLY A 27 -5.668 13.998 0.224 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.050 15.152 -0.816 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.459 16.505 0.220 1.00 0.00 H new ATOM 304 N VAL A 28 -2.715 14.285 1.770 1.00 0.00 N ATOM 305 CA VAL A 28 -1.485 14.040 2.514 1.00 0.00 C ATOM 306 C VAL A 28 -0.793 12.771 2.029 1.00 0.00 C ATOM 307 O VAL A 28 -1.406 11.706 1.959 1.00 0.00 O ATOM 308 CB VAL A 28 -1.758 13.918 4.025 1.00 0.00 C ATOM 309 CG1 VAL A 28 -0.531 13.382 4.748 1.00 0.00 C ATOM 310 CG2 VAL A 28 -2.182 15.261 4.600 1.00 0.00 C ATOM 0 H VAL A 28 -3.457 13.608 1.947 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.833 14.896 2.338 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.575 13.211 4.173 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.743 13.303 5.814 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.278 12.398 4.354 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.308 14.061 4.594 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.371 15.156 5.668 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.389 15.991 4.442 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.091 15.599 4.102 1.00 0.00 H new ATOM 320 N SER A 29 0.488 12.892 1.696 1.00 0.00 N ATOM 321 CA SER A 29 1.263 11.755 1.214 1.00 0.00 C ATOM 322 C SER A 29 1.349 10.666 2.279 1.00 0.00 C ATOM 323 O SER A 29 2.071 10.802 3.266 1.00 0.00 O ATOM 324 CB SER A 29 2.670 12.203 0.813 1.00 0.00 C ATOM 325 OG SER A 29 3.265 12.989 1.832 1.00 0.00 O ATOM 0 H SER A 29 1.011 13.766 1.751 1.00 0.00 H new ATOM 0 HA SER A 29 0.756 11.346 0.340 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.291 11.329 0.614 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.622 12.777 -0.112 1.00 0.00 H new ATOM 0 HG SER A 29 3.114 12.565 2.702 1.00 0.00 H new ATOM 331 N SER A 30 0.605 9.584 2.071 1.00 0.00 N ATOM 332 CA SER A 30 0.593 8.472 3.013 1.00 0.00 C ATOM 333 C SER A 30 1.360 7.277 2.454 1.00 0.00 C ATOM 334 O SER A 30 1.200 6.914 1.289 1.00 0.00 O ATOM 335 CB SER A 30 -0.846 8.064 3.335 1.00 0.00 C ATOM 336 OG SER A 30 -1.610 9.179 3.758 1.00 0.00 O ATOM 0 H SER A 30 0.003 9.454 1.258 1.00 0.00 H new ATOM 0 HA SER A 30 1.084 8.800 3.929 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.306 7.617 2.454 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.845 7.303 4.115 1.00 0.00 H new ATOM 0 HG SER A 30 -1.608 9.862 3.055 1.00 0.00 H new ATOM 342 N GLU A 31 2.192 6.670 3.294 1.00 0.00 N ATOM 343 CA GLU A 31 2.985 5.517 2.884 1.00 0.00 C ATOM 344 C GLU A 31 3.054 4.479 4.001 1.00 0.00 C ATOM 345 O GLU A 31 2.562 4.707 5.106 1.00 0.00 O ATOM 346 CB GLU A 31 4.397 5.955 2.490 1.00 0.00 C ATOM 347 CG GLU A 31 5.144 6.671 3.603 1.00 0.00 C ATOM 348 CD GLU A 31 6.411 7.347 3.114 1.00 0.00 C ATOM 349 OE1 GLU A 31 7.226 6.670 2.453 1.00 0.00 O ATOM 350 OE2 GLU A 31 6.586 8.551 3.392 1.00 0.00 O ATOM 0 H GLU A 31 2.334 6.957 4.262 1.00 0.00 H new ATOM 0 HA GLU A 31 2.500 5.063 2.020 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.969 5.078 2.185 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.336 6.613 1.623 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.489 7.417 4.054 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.397 5.955 4.385 1.00 0.00 H new ATOM 357 N PHE A 32 3.669 3.339 3.703 1.00 0.00 N ATOM 358 CA PHE A 32 3.802 2.265 4.681 1.00 0.00 C ATOM 359 C PHE A 32 4.926 1.310 4.289 1.00 0.00 C ATOM 360 O PHE A 32 5.295 1.215 3.118 1.00 0.00 O ATOM 361 CB PHE A 32 2.485 1.497 4.808 1.00 0.00 C ATOM 362 CG PHE A 32 1.887 1.110 3.486 1.00 0.00 C ATOM 363 CD1 PHE A 32 1.065 1.990 2.799 1.00 0.00 C ATOM 364 CD2 PHE A 32 2.145 -0.132 2.930 1.00 0.00 C ATOM 365 CE1 PHE A 32 0.512 1.636 1.583 1.00 0.00 C ATOM 366 CE2 PHE A 32 1.596 -0.491 1.714 1.00 0.00 C ATOM 367 CZ PHE A 32 0.779 0.395 1.039 1.00 0.00 C ATOM 0 H PHE A 32 4.083 3.135 2.793 1.00 0.00 H new ATOM 0 HA PHE A 32 4.048 2.712 5.644 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.654 0.597 5.399 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.769 2.108 5.357 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.855 2.963 3.219 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.783 -0.828 3.453 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.129 2.329 1.058 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.805 -1.463 1.292 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.350 0.118 0.088 1.00 0.00 H new ATOM 377 N ILE A 33 5.466 0.605 5.278 1.00 0.00 N ATOM 378 CA ILE A 33 6.547 -0.343 5.037 1.00 0.00 C ATOM 379 C ILE A 33 6.032 -1.778 5.047 1.00 0.00 C ATOM 380 O ILE A 33 5.179 -2.137 5.859 1.00 0.00 O ATOM 381 CB ILE A 33 7.663 -0.202 6.089 1.00 0.00 C ATOM 382 CG1 ILE A 33 8.454 1.087 5.856 1.00 0.00 C ATOM 383 CG2 ILE A 33 8.587 -1.411 6.046 1.00 0.00 C ATOM 384 CD1 ILE A 33 9.595 1.280 6.830 1.00 0.00 C ATOM 0 H ILE A 33 5.173 0.672 6.253 1.00 0.00 H new ATOM 0 HA ILE A 33 6.955 -0.113 4.053 1.00 0.00 H new ATOM 0 HB ILE A 33 7.206 -0.152 7.077 1.00 0.00 H new ATOM 0 HG12 ILE A 33 8.851 1.082 4.841 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.777 1.938 5.929 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.371 -1.297 6.795 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.014 -2.314 6.255 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.039 -1.489 5.057 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.111 2.213 6.605 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.203 1.317 7.846 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.294 0.448 6.741 1.00 0.00 H new ATOM 396 N VAL A 34 6.558 -2.596 4.141 1.00 0.00 N ATOM 397 CA VAL A 34 6.154 -3.994 4.047 1.00 0.00 C ATOM 398 C VAL A 34 7.292 -4.923 4.454 1.00 0.00 C ATOM 399 O VAL A 34 8.222 -5.157 3.683 1.00 0.00 O ATOM 400 CB VAL A 34 5.699 -4.352 2.620 1.00 0.00 C ATOM 401 CG1 VAL A 34 5.214 -5.792 2.559 1.00 0.00 C ATOM 402 CG2 VAL A 34 4.613 -3.395 2.152 1.00 0.00 C ATOM 0 H VAL A 34 7.265 -2.315 3.462 1.00 0.00 H new ATOM 0 HA VAL A 34 5.317 -4.128 4.732 1.00 0.00 H new ATOM 0 HB VAL A 34 6.553 -4.253 1.950 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.897 -6.026 1.543 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.024 -6.461 2.850 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.373 -5.922 3.241 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.303 -3.662 1.142 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.757 -3.460 2.823 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.000 -2.376 2.155 1.00 0.00 H new ATOM 412 N ASN A 35 7.211 -5.452 5.671 1.00 0.00 N ATOM 413 CA ASN A 35 8.234 -6.357 6.181 1.00 0.00 C ATOM 414 C ASN A 35 8.190 -7.695 5.450 1.00 0.00 C ATOM 415 O ASN A 35 7.373 -8.562 5.767 1.00 0.00 O ATOM 416 CB ASN A 35 8.047 -6.576 7.683 1.00 0.00 C ATOM 417 CG ASN A 35 8.761 -7.819 8.179 1.00 0.00 C ATOM 418 OD1 ASN A 35 8.210 -8.920 8.146 1.00 0.00 O ATOM 419 ND2 ASN A 35 9.994 -7.648 8.643 1.00 0.00 N ATOM 0 H ASN A 35 6.447 -5.269 6.322 1.00 0.00 H new ATOM 0 HA ASN A 35 9.208 -5.900 6.006 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.420 -5.706 8.224 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.983 -6.658 7.906 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.523 -8.447 8.991 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.411 -6.717 8.651 1.00 0.00 H new ATOM 426 N THR A 36 9.074 -7.859 4.471 1.00 0.00 N ATOM 427 CA THR A 36 9.136 -9.091 3.695 1.00 0.00 C ATOM 428 C THR A 36 10.418 -9.862 3.989 1.00 0.00 C ATOM 429 O THR A 36 10.602 -10.983 3.515 1.00 0.00 O ATOM 430 CB THR A 36 9.055 -8.807 2.183 1.00 0.00 C ATOM 431 OG1 THR A 36 10.012 -7.805 1.821 1.00 0.00 O ATOM 432 CG2 THR A 36 7.659 -8.347 1.792 1.00 0.00 C ATOM 0 H THR A 36 9.757 -7.153 4.197 1.00 0.00 H new ATOM 0 HA THR A 36 8.277 -9.694 3.990 1.00 0.00 H new ATOM 0 HB THR A 36 9.278 -9.731 1.650 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.955 -7.631 0.858 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.627 -8.153 0.720 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.937 -9.124 2.042 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.412 -7.434 2.334 1.00 0.00 H new ATOM 440 N LEU A 37 11.301 -9.254 4.773 1.00 0.00 N ATOM 441 CA LEU A 37 12.567 -9.884 5.131 1.00 0.00 C ATOM 442 C LEU A 37 12.343 -11.300 5.652 1.00 0.00 C ATOM 443 O LEU A 37 12.912 -12.260 5.135 1.00 0.00 O ATOM 444 CB LEU A 37 13.295 -9.049 6.186 1.00 0.00 C ATOM 445 CG LEU A 37 13.478 -7.567 5.860 1.00 0.00 C ATOM 446 CD1 LEU A 37 13.571 -6.746 7.137 1.00 0.00 C ATOM 447 CD2 LEU A 37 14.716 -7.360 5.000 1.00 0.00 C ATOM 0 H LEU A 37 11.164 -8.326 5.173 1.00 0.00 H new ATOM 0 HA LEU A 37 13.183 -9.940 4.233 1.00 0.00 H new ATOM 0 HB2 LEU A 37 12.747 -9.129 7.125 1.00 0.00 H new ATOM 0 HB3 LEU A 37 14.279 -9.488 6.352 1.00 0.00 H new ATOM 0 HG LEU A 37 12.608 -7.228 5.298 1.00 0.00 H new ATOM 0 HD11 LEU A 37 13.701 -5.694 6.884 1.00 0.00 H new ATOM 0 HD12 LEU A 37 12.656 -6.870 7.716 1.00 0.00 H new ATOM 0 HD13 LEU A 37 14.423 -7.086 7.727 1.00 0.00 H new ATOM 0 HD21 LEU A 37 14.831 -6.299 4.777 1.00 0.00 H new ATOM 0 HD22 LEU A 37 15.596 -7.716 5.537 1.00 0.00 H new ATOM 0 HD23 LEU A 37 14.609 -7.917 4.069 1.00 0.00 H new ATOM 459 N ASN A 38 11.507 -11.421 6.679 1.00 0.00 N ATOM 460 CA ASN A 38 11.205 -12.720 7.269 1.00 0.00 C ATOM 461 C ASN A 38 10.900 -13.752 6.188 1.00 0.00 C ATOM 462 O ASN A 38 11.229 -14.929 6.328 1.00 0.00 O ATOM 463 CB ASN A 38 10.019 -12.605 8.229 1.00 0.00 C ATOM 464 CG ASN A 38 10.451 -12.278 9.646 1.00 0.00 C ATOM 465 OD1 ASN A 38 9.994 -12.900 10.605 1.00 0.00 O ATOM 466 ND2 ASN A 38 11.337 -11.299 9.783 1.00 0.00 N ATOM 0 H ASN A 38 11.027 -10.636 7.119 1.00 0.00 H new ATOM 0 HA ASN A 38 12.083 -13.051 7.824 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.340 -11.831 7.872 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.463 -13.542 8.229 1.00 0.00 H new ATOM 0 HD21 ASN A 38 11.666 -11.035 10.712 1.00 0.00 H new ATOM 0 HD22 ASN A 38 11.689 -10.811 8.960 1.00 0.00 H new ATOM 473 N ALA A 39 10.269 -13.301 5.109 1.00 0.00 N ATOM 474 CA ALA A 39 9.921 -14.183 4.002 1.00 0.00 C ATOM 475 C ALA A 39 11.172 -14.700 3.298 1.00 0.00 C ATOM 476 O ALA A 39 11.376 -15.907 3.182 1.00 0.00 O ATOM 477 CB ALA A 39 9.018 -13.460 3.014 1.00 0.00 C ATOM 0 H ALA A 39 9.988 -12.329 4.978 1.00 0.00 H new ATOM 0 HA ALA A 39 9.384 -15.040 4.408 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.766 -14.131 2.193 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.104 -13.146 3.519 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.535 -12.584 2.622 1.00 0.00 H new ATOM 483 N GLY A 40 12.006 -13.776 2.830 1.00 0.00 N ATOM 484 CA GLY A 40 13.226 -14.159 2.142 1.00 0.00 C ATOM 485 C GLY A 40 13.416 -13.409 0.838 1.00 0.00 C ATOM 486 O GLY A 40 14.212 -12.473 0.763 1.00 0.00 O ATOM 0 H GLY A 40 11.859 -12.770 2.915 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.080 -13.972 2.793 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.206 -15.230 1.942 1.00 0.00 H new ATOM 490 N SER A 41 12.684 -13.822 -0.192 1.00 0.00 N ATOM 491 CA SER A 41 12.780 -13.187 -1.501 1.00 0.00 C ATOM 492 C SER A 41 11.571 -13.535 -2.363 1.00 0.00 C ATOM 493 O SER A 41 10.967 -14.595 -2.207 1.00 0.00 O ATOM 494 CB SER A 41 14.066 -13.618 -2.208 1.00 0.00 C ATOM 495 OG SER A 41 14.080 -15.018 -2.431 1.00 0.00 O ATOM 0 H SER A 41 12.018 -14.593 -0.145 1.00 0.00 H new ATOM 0 HA SER A 41 12.800 -12.107 -1.353 1.00 0.00 H new ATOM 0 HB2 SER A 41 14.155 -13.094 -3.160 1.00 0.00 H new ATOM 0 HB3 SER A 41 14.929 -13.334 -1.606 1.00 0.00 H new ATOM 0 HG SER A 41 14.911 -15.269 -2.886 1.00 0.00 H new ATOM 501 N GLY A 42 11.223 -12.633 -3.276 1.00 0.00 N ATOM 502 CA GLY A 42 10.088 -12.861 -4.150 1.00 0.00 C ATOM 503 C GLY A 42 9.535 -11.575 -4.732 1.00 0.00 C ATOM 504 O GLY A 42 10.200 -10.540 -4.710 1.00 0.00 O ATOM 0 H GLY A 42 11.708 -11.748 -3.426 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.386 -13.524 -4.962 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.302 -13.372 -3.594 1.00 0.00 H new ATOM 508 N ALA A 43 8.315 -11.640 -5.255 1.00 0.00 N ATOM 509 CA ALA A 43 7.673 -10.472 -5.845 1.00 0.00 C ATOM 510 C ALA A 43 6.571 -9.935 -4.938 1.00 0.00 C ATOM 511 O ALA A 43 5.835 -10.703 -4.317 1.00 0.00 O ATOM 512 CB ALA A 43 7.111 -10.814 -7.216 1.00 0.00 C ATOM 0 H ALA A 43 7.751 -12.490 -5.282 1.00 0.00 H new ATOM 0 HA ALA A 43 8.427 -9.693 -5.958 1.00 0.00 H new ATOM 0 HB1 ALA A 43 6.635 -9.932 -7.644 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.919 -11.143 -7.869 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.375 -11.613 -7.119 1.00 0.00 H new ATOM 518 N LEU A 44 6.462 -8.613 -4.866 1.00 0.00 N ATOM 519 CA LEU A 44 5.449 -7.973 -4.034 1.00 0.00 C ATOM 520 C LEU A 44 4.470 -7.173 -4.888 1.00 0.00 C ATOM 521 O LEU A 44 4.860 -6.534 -5.865 1.00 0.00 O ATOM 522 CB LEU A 44 6.111 -7.057 -3.004 1.00 0.00 C ATOM 523 CG LEU A 44 5.187 -6.067 -2.294 1.00 0.00 C ATOM 524 CD1 LEU A 44 4.458 -6.747 -1.145 1.00 0.00 C ATOM 525 CD2 LEU A 44 5.977 -4.867 -1.791 1.00 0.00 C ATOM 0 H LEU A 44 7.063 -7.963 -5.374 1.00 0.00 H new ATOM 0 HA LEU A 44 4.895 -8.754 -3.513 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.592 -7.680 -2.250 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.900 -6.494 -3.502 1.00 0.00 H new ATOM 0 HG LEU A 44 4.445 -5.714 -3.010 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.805 -6.027 -0.651 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.861 -7.573 -1.531 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.185 -7.129 -0.428 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.304 -4.173 -1.288 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.741 -5.202 -1.090 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.452 -4.365 -2.634 1.00 0.00 H new ATOM 537 N SER A 45 3.196 -7.211 -4.510 1.00 0.00 N ATOM 538 CA SER A 45 2.160 -6.491 -5.241 1.00 0.00 C ATOM 539 C SER A 45 1.396 -5.549 -4.316 1.00 0.00 C ATOM 540 O SER A 45 0.860 -5.968 -3.289 1.00 0.00 O ATOM 541 CB SER A 45 1.191 -7.476 -5.898 1.00 0.00 C ATOM 542 OG SER A 45 0.557 -6.894 -7.024 1.00 0.00 O ATOM 0 H SER A 45 2.857 -7.733 -3.702 1.00 0.00 H new ATOM 0 HA SER A 45 2.644 -5.897 -6.016 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.730 -8.372 -6.204 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.438 -7.788 -5.174 1.00 0.00 H new ATOM 0 HG SER A 45 -0.056 -7.544 -7.427 1.00 0.00 H new ATOM 548 N VAL A 46 1.351 -4.273 -4.686 1.00 0.00 N ATOM 549 CA VAL A 46 0.652 -3.271 -3.890 1.00 0.00 C ATOM 550 C VAL A 46 -0.317 -2.466 -4.749 1.00 0.00 C ATOM 551 O VAL A 46 0.028 -2.020 -5.844 1.00 0.00 O ATOM 552 CB VAL A 46 1.641 -2.306 -3.210 1.00 0.00 C ATOM 553 CG1 VAL A 46 0.892 -1.243 -2.420 1.00 0.00 C ATOM 554 CG2 VAL A 46 2.600 -3.072 -2.312 1.00 0.00 C ATOM 0 H VAL A 46 1.790 -3.909 -5.532 1.00 0.00 H new ATOM 0 HA VAL A 46 0.094 -3.808 -3.123 1.00 0.00 H new ATOM 0 HB VAL A 46 2.224 -1.806 -3.983 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.607 -0.570 -1.946 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.250 -0.675 -3.093 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.282 -1.721 -1.654 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.292 -2.375 -1.840 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.036 -3.600 -1.543 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.161 -3.791 -2.909 1.00 0.00 H new ATOM 564 N THR A 47 -1.533 -2.282 -4.245 1.00 0.00 N ATOM 565 CA THR A 47 -2.554 -1.532 -4.965 1.00 0.00 C ATOM 566 C THR A 47 -3.497 -0.821 -4.001 1.00 0.00 C ATOM 567 O THR A 47 -3.478 -1.078 -2.797 1.00 0.00 O ATOM 568 CB THR A 47 -3.378 -2.448 -5.889 1.00 0.00 C ATOM 569 OG1 THR A 47 -4.623 -1.821 -6.218 1.00 0.00 O ATOM 570 CG2 THR A 47 -3.641 -3.791 -5.225 1.00 0.00 C ATOM 0 H THR A 47 -1.835 -2.643 -3.340 1.00 0.00 H new ATOM 0 HA THR A 47 -2.032 -0.791 -5.571 1.00 0.00 H new ATOM 0 HB THR A 47 -2.805 -2.617 -6.801 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.140 -2.409 -6.807 1.00 0.00 H new ATOM 0 HG21 THR A 47 -4.225 -4.421 -5.897 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.692 -4.279 -5.003 1.00 0.00 H new ATOM 0 HG23 THR A 47 -4.195 -3.637 -4.299 1.00 0.00 H new ATOM 578 N ILE A 48 -4.320 0.074 -4.537 1.00 0.00 N ATOM 579 CA ILE A 48 -5.271 0.820 -3.724 1.00 0.00 C ATOM 580 C ILE A 48 -6.645 0.862 -4.384 1.00 0.00 C ATOM 581 O ILE A 48 -6.764 0.738 -5.603 1.00 0.00 O ATOM 582 CB ILE A 48 -4.790 2.262 -3.475 1.00 0.00 C ATOM 583 CG1 ILE A 48 -3.399 2.255 -2.838 1.00 0.00 C ATOM 584 CG2 ILE A 48 -5.780 3.006 -2.591 1.00 0.00 C ATOM 585 CD1 ILE A 48 -2.769 3.628 -2.747 1.00 0.00 C ATOM 0 H ILE A 48 -4.347 0.300 -5.531 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.345 0.300 -2.769 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.728 2.779 -4.432 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.469 1.829 -1.837 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.746 1.602 -3.417 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.426 4.023 -2.424 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.753 3.036 -3.080 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.871 2.492 -1.634 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.785 3.547 -2.285 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.667 4.049 -3.747 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.401 4.279 -2.143 1.00 0.00 H new ATOM 597 N ASP A 49 -7.681 1.039 -3.570 1.00 0.00 N ATOM 598 CA ASP A 49 -9.048 1.100 -4.075 1.00 0.00 C ATOM 599 C ASP A 49 -9.900 2.034 -3.222 1.00 0.00 C ATOM 600 O ASP A 49 -10.221 1.724 -2.076 1.00 0.00 O ATOM 601 CB ASP A 49 -9.668 -0.298 -4.099 1.00 0.00 C ATOM 602 CG ASP A 49 -10.703 -0.453 -5.196 1.00 0.00 C ATOM 603 OD1 ASP A 49 -11.817 0.089 -5.042 1.00 0.00 O ATOM 604 OD2 ASP A 49 -10.399 -1.118 -6.209 1.00 0.00 O ATOM 0 H ASP A 49 -7.600 1.143 -2.559 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.017 1.492 -5.091 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -8.881 -1.039 -4.239 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.132 -0.503 -3.134 1.00 0.00 H new ATOM 609 N GLY A 50 -10.264 3.180 -3.791 1.00 0.00 N ATOM 610 CA GLY A 50 -11.075 4.142 -3.068 1.00 0.00 C ATOM 611 C GLY A 50 -12.071 4.850 -3.965 1.00 0.00 C ATOM 612 O GLY A 50 -12.236 4.509 -5.136 1.00 0.00 O ATOM 0 H GLY A 50 -10.012 3.459 -4.739 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -11.610 3.632 -2.267 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -10.425 4.880 -2.598 1.00 0.00 H new ATOM 616 N PRO A 51 -12.757 5.862 -3.411 1.00 0.00 N ATOM 617 CA PRO A 51 -13.754 6.640 -4.151 1.00 0.00 C ATOM 618 C PRO A 51 -13.122 7.525 -5.220 1.00 0.00 C ATOM 619 O PRO A 51 -13.823 8.193 -5.980 1.00 0.00 O ATOM 620 CB PRO A 51 -14.410 7.498 -3.066 1.00 0.00 C ATOM 621 CG PRO A 51 -13.377 7.616 -2.000 1.00 0.00 C ATOM 622 CD PRO A 51 -12.611 6.323 -2.020 1.00 0.00 C ATOM 0 HA PRO A 51 -14.453 6.000 -4.689 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -14.693 8.477 -3.453 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.318 7.030 -2.687 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.717 8.463 -2.188 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -13.838 7.781 -1.026 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -11.565 6.472 -1.754 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -13.021 5.602 -1.313 1.00 0.00 H new ATOM 630 N SER A 52 -11.794 7.524 -5.274 1.00 0.00 N ATOM 631 CA SER A 52 -11.068 8.329 -6.248 1.00 0.00 C ATOM 632 C SER A 52 -9.658 7.786 -6.460 1.00 0.00 C ATOM 633 O SER A 52 -8.971 7.419 -5.506 1.00 0.00 O ATOM 634 CB SER A 52 -11.001 9.787 -5.788 1.00 0.00 C ATOM 635 OG SER A 52 -10.876 10.665 -6.893 1.00 0.00 O ATOM 0 H SER A 52 -11.199 6.974 -4.654 1.00 0.00 H new ATOM 0 HA SER A 52 -11.604 8.278 -7.196 1.00 0.00 H new ATOM 0 HB2 SER A 52 -11.899 10.035 -5.222 1.00 0.00 H new ATOM 0 HB3 SER A 52 -10.154 9.921 -5.115 1.00 0.00 H new ATOM 0 HG SER A 52 -10.837 11.590 -6.573 1.00 0.00 H new ATOM 641 N LYS A 53 -9.233 7.736 -7.718 1.00 0.00 N ATOM 642 CA LYS A 53 -7.905 7.239 -8.058 1.00 0.00 C ATOM 643 C LYS A 53 -6.849 7.825 -7.126 1.00 0.00 C ATOM 644 O LYS A 53 -6.996 8.942 -6.630 1.00 0.00 O ATOM 645 CB LYS A 53 -7.566 7.582 -9.510 1.00 0.00 C ATOM 646 CG LYS A 53 -6.632 6.582 -10.170 1.00 0.00 C ATOM 647 CD LYS A 53 -5.888 7.202 -11.341 1.00 0.00 C ATOM 648 CE LYS A 53 -4.585 6.470 -11.623 1.00 0.00 C ATOM 649 NZ LYS A 53 -4.820 5.063 -12.050 1.00 0.00 N ATOM 0 H LYS A 53 -9.789 8.034 -8.519 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.908 6.156 -7.938 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.490 7.639 -10.086 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.108 8.571 -9.543 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.915 6.213 -9.436 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.205 5.722 -10.516 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.520 7.178 -12.229 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.679 8.250 -11.127 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.033 6.998 -12.401 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.963 6.479 -10.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.911 4.614 -12.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.279 4.538 -11.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.435 5.053 -12.889 1.00 0.00 H new ATOM 663 N VAL A 54 -5.784 7.064 -6.893 1.00 0.00 N ATOM 664 CA VAL A 54 -4.703 7.510 -6.023 1.00 0.00 C ATOM 665 C VAL A 54 -3.343 7.276 -6.673 1.00 0.00 C ATOM 666 O VAL A 54 -3.017 6.157 -7.067 1.00 0.00 O ATOM 667 CB VAL A 54 -4.741 6.785 -4.664 1.00 0.00 C ATOM 668 CG1 VAL A 54 -6.022 7.121 -3.916 1.00 0.00 C ATOM 669 CG2 VAL A 54 -4.606 5.282 -4.858 1.00 0.00 C ATOM 0 H VAL A 54 -5.647 6.136 -7.295 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.847 8.578 -5.861 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.898 7.128 -4.065 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.032 6.600 -2.959 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.072 8.196 -3.745 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.882 6.808 -4.508 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.635 4.786 -3.888 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.428 4.920 -5.475 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.658 5.062 -5.350 1.00 0.00 H new ATOM 679 N GLN A 55 -2.554 8.341 -6.780 1.00 0.00 N ATOM 680 CA GLN A 55 -1.229 8.251 -7.382 1.00 0.00 C ATOM 681 C GLN A 55 -0.219 7.680 -6.393 1.00 0.00 C ATOM 682 O GLN A 55 0.279 8.389 -5.518 1.00 0.00 O ATOM 683 CB GLN A 55 -0.769 9.630 -7.860 1.00 0.00 C ATOM 684 CG GLN A 55 0.201 9.576 -9.029 1.00 0.00 C ATOM 685 CD GLN A 55 -0.482 9.233 -10.338 1.00 0.00 C ATOM 686 OE1 GLN A 55 -1.385 8.397 -10.381 1.00 0.00 O ATOM 687 NE2 GLN A 55 -0.054 9.879 -11.417 1.00 0.00 N ATOM 0 H GLN A 55 -2.809 9.275 -6.458 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.291 7.579 -8.238 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.642 10.215 -8.150 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.296 10.154 -7.030 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.701 10.540 -9.126 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.973 8.835 -8.822 1.00 0.00 H new ATOM 0 HE21 GLN A 55 0.697 10.564 -11.337 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.477 9.690 -12.326 1.00 0.00 H new ATOM 696 N LEU A 56 0.079 6.393 -6.536 1.00 0.00 N ATOM 697 CA LEU A 56 1.030 5.725 -5.655 1.00 0.00 C ATOM 698 C LEU A 56 2.419 5.685 -6.283 1.00 0.00 C ATOM 699 O LEU A 56 2.568 5.841 -7.495 1.00 0.00 O ATOM 700 CB LEU A 56 0.557 4.304 -5.345 1.00 0.00 C ATOM 701 CG LEU A 56 0.748 3.274 -6.459 1.00 0.00 C ATOM 702 CD1 LEU A 56 0.909 1.879 -5.876 1.00 0.00 C ATOM 703 CD2 LEU A 56 -0.422 3.316 -7.431 1.00 0.00 C ATOM 0 H LEU A 56 -0.325 5.791 -7.254 1.00 0.00 H new ATOM 0 HA LEU A 56 1.088 6.293 -4.726 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.085 3.952 -4.458 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.502 4.343 -5.091 1.00 0.00 H new ATOM 0 HG LEU A 56 1.658 3.524 -7.005 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.044 1.160 -6.684 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.780 1.857 -5.221 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.019 1.619 -5.304 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.269 2.576 -8.217 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.346 3.093 -6.898 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.490 4.309 -7.876 1.00 0.00 H new ATOM 715 N ASP A 57 3.433 5.473 -5.451 1.00 0.00 N ATOM 716 CA ASP A 57 4.810 5.408 -5.926 1.00 0.00 C ATOM 717 C ASP A 57 5.605 4.364 -5.148 1.00 0.00 C ATOM 718 O ASP A 57 5.824 4.505 -3.944 1.00 0.00 O ATOM 719 CB ASP A 57 5.481 6.777 -5.797 1.00 0.00 C ATOM 720 CG ASP A 57 6.577 6.984 -6.824 1.00 0.00 C ATOM 721 OD1 ASP A 57 6.382 6.580 -7.989 1.00 0.00 O ATOM 722 OD2 ASP A 57 7.630 7.549 -6.462 1.00 0.00 O ATOM 0 H ASP A 57 3.327 5.343 -4.445 1.00 0.00 H new ATOM 0 HA ASP A 57 4.793 5.117 -6.976 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.730 7.559 -5.909 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.901 6.880 -4.796 1.00 0.00 H new ATOM 727 N CYS A 58 6.033 3.316 -5.843 1.00 0.00 N ATOM 728 CA CYS A 58 6.801 2.246 -5.217 1.00 0.00 C ATOM 729 C CYS A 58 8.252 2.668 -5.010 1.00 0.00 C ATOM 730 O CYS A 58 8.857 3.294 -5.881 1.00 0.00 O ATOM 731 CB CYS A 58 6.743 0.980 -6.073 1.00 0.00 C ATOM 732 SG CYS A 58 7.092 -0.544 -5.164 1.00 0.00 S ATOM 0 H CYS A 58 5.861 3.185 -6.840 1.00 0.00 H new ATOM 0 HA CYS A 58 6.359 2.037 -4.243 1.00 0.00 H new ATOM 0 HB2 CYS A 58 5.753 0.903 -6.522 1.00 0.00 H new ATOM 0 HB3 CYS A 58 7.458 1.074 -6.891 1.00 0.00 H new ATOM 0 HG CYS A 58 7.017 -1.559 -5.973 1.00 0.00 H new ATOM 738 N ARG A 59 8.804 2.323 -3.851 1.00 0.00 N ATOM 739 CA ARG A 59 10.183 2.668 -3.528 1.00 0.00 C ATOM 740 C ARG A 59 10.875 1.520 -2.799 1.00 0.00 C ATOM 741 O ARG A 59 10.270 0.478 -2.548 1.00 0.00 O ATOM 742 CB ARG A 59 10.226 3.933 -2.669 1.00 0.00 C ATOM 743 CG ARG A 59 10.276 5.218 -3.478 1.00 0.00 C ATOM 744 CD ARG A 59 10.737 6.393 -2.630 1.00 0.00 C ATOM 745 NE ARG A 59 11.089 7.552 -3.446 1.00 0.00 N ATOM 746 CZ ARG A 59 11.925 8.505 -3.047 1.00 0.00 C ATOM 747 NH1 ARG A 59 12.492 8.436 -1.850 1.00 0.00 N ATOM 748 NH2 ARG A 59 12.196 9.529 -3.846 1.00 0.00 N ATOM 0 H ARG A 59 8.317 1.805 -3.120 1.00 0.00 H new ATOM 0 HA ARG A 59 10.713 2.853 -4.462 1.00 0.00 H new ATOM 0 HB2 ARG A 59 9.348 3.954 -2.024 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.099 3.890 -2.017 1.00 0.00 H new ATOM 0 HG2 ARG A 59 10.952 5.091 -4.323 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.289 5.429 -3.888 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.947 6.668 -1.931 1.00 0.00 H new ATOM 0 HD3 ARG A 59 11.599 6.094 -2.034 1.00 0.00 H new ATOM 0 HE ARG A 59 10.670 7.635 -4.373 1.00 0.00 H new ATOM 0 HH11 ARG A 59 12.287 7.650 -1.233 1.00 0.00 H new ATOM 0 HH12 ARG A 59 13.133 9.169 -1.546 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.763 9.585 -4.768 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.838 10.260 -3.539 1.00 0.00 H new ATOM 762 N GLU A 60 12.145 1.720 -2.462 1.00 0.00 N ATOM 763 CA GLU A 60 12.919 0.701 -1.763 1.00 0.00 C ATOM 764 C GLU A 60 13.174 1.110 -0.315 1.00 0.00 C ATOM 765 O GLU A 60 13.257 2.298 0.000 1.00 0.00 O ATOM 766 CB GLU A 60 14.249 0.459 -2.478 1.00 0.00 C ATOM 767 CG GLU A 60 15.318 1.485 -2.141 1.00 0.00 C ATOM 768 CD GLU A 60 16.135 1.098 -0.923 1.00 0.00 C ATOM 769 OE1 GLU A 60 16.914 0.126 -1.018 1.00 0.00 O ATOM 770 OE2 GLU A 60 15.995 1.764 0.123 1.00 0.00 O ATOM 0 H GLU A 60 12.660 2.578 -2.662 1.00 0.00 H new ATOM 0 HA GLU A 60 12.341 -0.223 -1.765 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.616 -0.534 -2.218 1.00 0.00 H new ATOM 0 HB3 GLU A 60 14.079 0.464 -3.555 1.00 0.00 H new ATOM 0 HG2 GLU A 60 15.983 1.606 -2.996 1.00 0.00 H new ATOM 0 HG3 GLU A 60 14.846 2.452 -1.965 1.00 0.00 H new ATOM 777 N CYS A 61 13.297 0.119 0.561 1.00 0.00 N ATOM 778 CA CYS A 61 13.542 0.374 1.976 1.00 0.00 C ATOM 779 C CYS A 61 14.322 -0.774 2.609 1.00 0.00 C ATOM 780 O CYS A 61 14.246 -1.923 2.173 1.00 0.00 O ATOM 781 CB CYS A 61 12.219 0.577 2.715 1.00 0.00 C ATOM 782 SG CYS A 61 11.064 -0.805 2.553 1.00 0.00 S ATOM 0 H CYS A 61 13.231 -0.869 0.316 1.00 0.00 H new ATOM 0 HA CYS A 61 14.139 1.282 2.058 1.00 0.00 H new ATOM 0 HB2 CYS A 61 12.427 0.741 3.772 1.00 0.00 H new ATOM 0 HB3 CYS A 61 11.741 1.482 2.340 1.00 0.00 H new ATOM 0 HG CYS A 61 9.976 -0.541 3.213 1.00 0.00 H new ATOM 788 N PRO A 62 15.091 -0.458 3.661 1.00 0.00 N ATOM 789 CA PRO A 62 15.901 -1.449 4.375 1.00 0.00 C ATOM 790 C PRO A 62 15.047 -2.430 5.171 1.00 0.00 C ATOM 791 O PRO A 62 15.568 -3.347 5.805 1.00 0.00 O ATOM 792 CB PRO A 62 16.754 -0.596 5.318 1.00 0.00 C ATOM 793 CG PRO A 62 15.963 0.649 5.524 1.00 0.00 C ATOM 794 CD PRO A 62 15.230 0.892 4.234 1.00 0.00 C ATOM 0 HA PRO A 62 16.484 -2.068 3.693 1.00 0.00 H new ATOM 0 HB2 PRO A 62 16.935 -1.110 6.262 1.00 0.00 H new ATOM 0 HB3 PRO A 62 17.729 -0.378 4.882 1.00 0.00 H new ATOM 0 HG2 PRO A 62 15.265 0.535 6.354 1.00 0.00 H new ATOM 0 HG3 PRO A 62 16.614 1.489 5.767 1.00 0.00 H new ATOM 0 HD2 PRO A 62 14.260 1.358 4.405 1.00 0.00 H new ATOM 0 HD3 PRO A 62 15.789 1.554 3.573 1.00 0.00 H new ATOM 802 N GLU A 63 13.733 -2.231 5.132 1.00 0.00 N ATOM 803 CA GLU A 63 12.808 -3.100 5.850 1.00 0.00 C ATOM 804 C GLU A 63 12.027 -3.983 4.881 1.00 0.00 C ATOM 805 O GLU A 63 11.240 -4.833 5.295 1.00 0.00 O ATOM 806 CB GLU A 63 11.839 -2.266 6.691 1.00 0.00 C ATOM 807 CG GLU A 63 12.491 -1.604 7.893 1.00 0.00 C ATOM 808 CD GLU A 63 12.503 -2.500 9.117 1.00 0.00 C ATOM 809 OE1 GLU A 63 11.601 -3.356 9.234 1.00 0.00 O ATOM 810 OE2 GLU A 63 13.414 -2.346 9.957 1.00 0.00 O ATOM 0 H GLU A 63 13.286 -1.477 4.611 1.00 0.00 H new ATOM 0 HA GLU A 63 13.391 -3.742 6.510 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.393 -1.497 6.060 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.027 -2.906 7.035 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.514 -1.327 7.640 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.960 -0.682 8.128 1.00 0.00 H new ATOM 817 N GLY A 64 12.252 -3.775 3.587 1.00 0.00 N ATOM 818 CA GLY A 64 11.563 -4.558 2.579 1.00 0.00 C ATOM 819 C GLY A 64 11.094 -3.715 1.410 1.00 0.00 C ATOM 820 O GLY A 64 11.872 -3.403 0.508 1.00 0.00 O ATOM 0 H GLY A 64 12.899 -3.078 3.219 1.00 0.00 H new ATOM 0 HA2 GLY A 64 12.228 -5.341 2.215 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.705 -5.054 3.033 1.00 0.00 H new ATOM 824 N HIS A 65 9.817 -3.346 1.423 1.00 0.00 N ATOM 825 CA HIS A 65 9.244 -2.534 0.355 1.00 0.00 C ATOM 826 C HIS A 65 8.424 -1.382 0.927 1.00 0.00 C ATOM 827 O HIS A 65 7.773 -1.525 1.963 1.00 0.00 O ATOM 828 CB HIS A 65 8.369 -3.395 -0.556 1.00 0.00 C ATOM 829 CG HIS A 65 9.152 -4.297 -1.461 1.00 0.00 C ATOM 830 ND1 HIS A 65 9.241 -4.104 -2.823 1.00 0.00 N ATOM 831 CD2 HIS A 65 9.886 -5.402 -1.190 1.00 0.00 C ATOM 832 CE1 HIS A 65 9.994 -5.052 -3.352 1.00 0.00 C ATOM 833 NE2 HIS A 65 10.398 -5.852 -2.382 1.00 0.00 N ATOM 0 H HIS A 65 9.159 -3.596 2.161 1.00 0.00 H new ATOM 0 HA HIS A 65 10.064 -2.117 -0.229 1.00 0.00 H new ATOM 0 HB2 HIS A 65 7.703 -4.000 0.059 1.00 0.00 H new ATOM 0 HB3 HIS A 65 7.739 -2.744 -1.162 1.00 0.00 H new ATOM 0 HD2 HIS A 65 10.040 -5.846 -0.218 1.00 0.00 H new ATOM 0 HE1 HIS A 65 10.238 -5.155 -4.399 1.00 0.00 H new ATOM 0 HE2 HIS A 65 10.994 -6.671 -2.499 1.00 0.00 H new ATOM 842 N VAL A 66 8.460 -0.240 0.248 1.00 0.00 N ATOM 843 CA VAL A 66 7.720 0.936 0.689 1.00 0.00 C ATOM 844 C VAL A 66 6.969 1.580 -0.472 1.00 0.00 C ATOM 845 O VAL A 66 7.462 1.619 -1.599 1.00 0.00 O ATOM 846 CB VAL A 66 8.655 1.982 1.324 1.00 0.00 C ATOM 847 CG1 VAL A 66 9.586 2.573 0.277 1.00 0.00 C ATOM 848 CG2 VAL A 66 7.845 3.074 2.007 1.00 0.00 C ATOM 0 H VAL A 66 8.994 -0.104 -0.610 1.00 0.00 H new ATOM 0 HA VAL A 66 7.004 0.597 1.438 1.00 0.00 H new ATOM 0 HB VAL A 66 9.266 1.487 2.079 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.239 3.310 0.745 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.191 1.779 -0.162 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.997 3.054 -0.504 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.521 3.805 2.451 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.208 3.567 1.273 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.225 2.633 2.787 1.00 0.00 H new ATOM 858 N VAL A 67 5.773 2.085 -0.188 1.00 0.00 N ATOM 859 CA VAL A 67 4.954 2.729 -1.208 1.00 0.00 C ATOM 860 C VAL A 67 4.342 4.024 -0.684 1.00 0.00 C ATOM 861 O VAL A 67 3.872 4.087 0.453 1.00 0.00 O ATOM 862 CB VAL A 67 3.825 1.800 -1.691 1.00 0.00 C ATOM 863 CG1 VAL A 67 2.957 2.505 -2.722 1.00 0.00 C ATOM 864 CG2 VAL A 67 4.402 0.512 -2.259 1.00 0.00 C ATOM 0 H VAL A 67 5.350 2.061 0.740 1.00 0.00 H new ATOM 0 HA VAL A 67 5.613 2.954 -2.047 1.00 0.00 H new ATOM 0 HB VAL A 67 3.198 1.545 -0.837 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.165 1.833 -3.051 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.515 3.396 -2.277 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.569 2.792 -3.577 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.590 -0.133 -2.596 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.053 0.745 -3.101 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.977 -0.001 -1.487 1.00 0.00 H new ATOM 874 N THR A 68 4.351 5.057 -1.521 1.00 0.00 N ATOM 875 CA THR A 68 3.797 6.351 -1.143 1.00 0.00 C ATOM 876 C THR A 68 2.658 6.755 -2.072 1.00 0.00 C ATOM 877 O THR A 68 2.796 6.709 -3.295 1.00 0.00 O ATOM 878 CB THR A 68 4.876 7.451 -1.163 1.00 0.00 C ATOM 879 OG1 THR A 68 6.102 6.944 -0.624 1.00 0.00 O ATOM 880 CG2 THR A 68 4.427 8.664 -0.362 1.00 0.00 C ATOM 0 H THR A 68 4.736 5.022 -2.465 1.00 0.00 H new ATOM 0 HA THR A 68 3.414 6.246 -0.128 1.00 0.00 H new ATOM 0 HB THR A 68 5.033 7.757 -2.197 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.783 7.648 -0.642 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.205 9.427 -0.391 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.509 9.065 -0.792 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.245 8.370 0.672 1.00 0.00 H new ATOM 888 N TYR A 69 1.535 7.151 -1.485 1.00 0.00 N ATOM 889 CA TYR A 69 0.371 7.562 -2.261 1.00 0.00 C ATOM 890 C TYR A 69 -0.250 8.830 -1.683 1.00 0.00 C ATOM 891 O TYR A 69 0.056 9.229 -0.559 1.00 0.00 O ATOM 892 CB TYR A 69 -0.669 6.440 -2.292 1.00 0.00 C ATOM 893 CG TYR A 69 -1.476 6.328 -1.019 1.00 0.00 C ATOM 894 CD1 TYR A 69 -2.540 7.186 -0.770 1.00 0.00 C ATOM 895 CD2 TYR A 69 -1.175 5.364 -0.065 1.00 0.00 C ATOM 896 CE1 TYR A 69 -3.281 7.088 0.393 1.00 0.00 C ATOM 897 CE2 TYR A 69 -1.911 5.258 1.100 1.00 0.00 C ATOM 898 CZ TYR A 69 -2.962 6.122 1.324 1.00 0.00 C ATOM 899 OH TYR A 69 -3.696 6.019 2.483 1.00 0.00 O ATOM 0 H TYR A 69 1.406 7.196 -0.474 1.00 0.00 H new ATOM 0 HA TYR A 69 0.700 7.772 -3.279 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.347 6.608 -3.129 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -0.163 5.492 -2.476 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -2.793 7.943 -1.498 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.352 4.686 -0.237 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -4.104 7.764 0.571 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.664 4.502 1.831 1.00 0.00 H new ATOM 0 HH TYR A 69 -3.362 5.267 3.016 1.00 0.00 H new ATOM 909 N THR A 70 -1.125 9.461 -2.461 1.00 0.00 N ATOM 910 CA THR A 70 -1.789 10.684 -2.029 1.00 0.00 C ATOM 911 C THR A 70 -3.297 10.592 -2.233 1.00 0.00 C ATOM 912 O THR A 70 -3.786 10.396 -3.346 1.00 0.00 O ATOM 913 CB THR A 70 -1.253 11.912 -2.788 1.00 0.00 C ATOM 914 OG1 THR A 70 0.162 12.028 -2.596 1.00 0.00 O ATOM 915 CG2 THR A 70 -1.940 13.184 -2.313 1.00 0.00 C ATOM 0 H THR A 70 -1.390 9.144 -3.394 1.00 0.00 H new ATOM 0 HA THR A 70 -1.576 10.802 -0.967 1.00 0.00 H new ATOM 0 HB THR A 70 -1.465 11.777 -3.849 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.495 12.810 -3.083 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.545 14.038 -2.863 1.00 0.00 H new ATOM 0 HG22 THR A 70 -3.013 13.105 -2.487 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.755 13.322 -1.248 1.00 0.00 H new ATOM 923 N PRO A 71 -4.053 10.739 -1.136 1.00 0.00 N ATOM 924 CA PRO A 71 -5.518 10.678 -1.170 1.00 0.00 C ATOM 925 C PRO A 71 -6.132 11.883 -1.874 1.00 0.00 C ATOM 926 O PRO A 71 -5.611 12.995 -1.789 1.00 0.00 O ATOM 927 CB PRO A 71 -5.907 10.667 0.310 1.00 0.00 C ATOM 928 CG PRO A 71 -4.771 11.335 1.005 1.00 0.00 C ATOM 929 CD PRO A 71 -3.538 10.976 0.223 1.00 0.00 C ATOM 0 HA PRO A 71 -5.877 9.812 -1.725 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -6.843 11.201 0.477 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -6.051 9.650 0.674 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.913 12.415 1.035 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.691 10.995 2.038 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.803 11.781 0.240 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.049 10.090 0.628 1.00 0.00 H new ATOM 937 N MET A 72 -7.242 11.655 -2.568 1.00 0.00 N ATOM 938 CA MET A 72 -7.927 12.724 -3.285 1.00 0.00 C ATOM 939 C MET A 72 -9.321 12.957 -2.710 1.00 0.00 C ATOM 940 O MET A 72 -9.972 13.954 -3.022 1.00 0.00 O ATOM 941 CB MET A 72 -8.027 12.386 -4.774 1.00 0.00 C ATOM 942 CG MET A 72 -6.714 11.919 -5.381 1.00 0.00 C ATOM 943 SD MET A 72 -5.766 13.270 -6.107 1.00 0.00 S ATOM 944 CE MET A 72 -5.758 14.444 -4.754 1.00 0.00 C ATOM 0 H MET A 72 -7.686 10.740 -2.649 1.00 0.00 H new ATOM 0 HA MET A 72 -7.346 13.638 -3.166 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.778 11.609 -4.912 1.00 0.00 H new ATOM 0 HB3 MET A 72 -8.375 13.266 -5.315 1.00 0.00 H new ATOM 0 HG2 MET A 72 -6.115 11.432 -4.611 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.918 11.171 -6.147 1.00 0.00 H new ATOM 0 HE1 MET A 72 -5.026 15.226 -4.955 1.00 0.00 H new ATOM 0 HE2 MET A 72 -6.747 14.890 -4.654 1.00 0.00 H new ATOM 0 HE3 MET A 72 -5.496 13.931 -3.829 1.00 0.00 H new ATOM 954 N ALA A 73 -9.772 12.032 -1.870 1.00 0.00 N ATOM 955 CA ALA A 73 -11.087 12.139 -1.250 1.00 0.00 C ATOM 956 C ALA A 73 -11.149 11.343 0.049 1.00 0.00 C ATOM 957 O ALA A 73 -10.555 10.272 0.177 1.00 0.00 O ATOM 958 CB ALA A 73 -12.165 11.663 -2.214 1.00 0.00 C ATOM 0 H ALA A 73 -9.246 11.200 -1.603 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.264 13.188 -1.011 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.142 11.748 -1.738 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.145 12.277 -3.114 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.981 10.622 -2.481 1.00 0.00 H new ATOM 964 N PRO A 74 -11.882 11.876 1.037 1.00 0.00 N ATOM 965 CA PRO A 74 -12.038 11.232 2.344 1.00 0.00 C ATOM 966 C PRO A 74 -12.883 9.965 2.268 1.00 0.00 C ATOM 967 O PRO A 74 -14.088 10.024 2.029 1.00 0.00 O ATOM 968 CB PRO A 74 -12.747 12.298 3.183 1.00 0.00 C ATOM 969 CG PRO A 74 -13.471 13.141 2.191 1.00 0.00 C ATOM 970 CD PRO A 74 -12.617 13.150 0.953 1.00 0.00 C ATOM 0 HA PRO A 74 -11.082 10.912 2.757 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -13.436 11.846 3.897 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -12.034 12.888 3.758 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -14.460 12.733 1.980 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.618 14.152 2.571 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -13.222 13.206 0.048 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.940 14.004 0.938 1.00 0.00 H new ATOM 978 N GLY A 75 -12.242 8.818 2.475 1.00 0.00 N ATOM 979 CA GLY A 75 -12.951 7.553 2.427 1.00 0.00 C ATOM 980 C GLY A 75 -12.083 6.385 2.851 1.00 0.00 C ATOM 981 O GLY A 75 -11.018 6.576 3.438 1.00 0.00 O ATOM 0 H GLY A 75 -11.245 8.743 2.675 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.826 7.606 3.075 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -13.315 7.382 1.414 1.00 0.00 H new ATOM 985 N ASN A 76 -12.539 5.172 2.556 1.00 0.00 N ATOM 986 CA ASN A 76 -11.797 3.968 2.913 1.00 0.00 C ATOM 987 C ASN A 76 -11.091 3.383 1.694 1.00 0.00 C ATOM 988 O ASN A 76 -11.731 2.838 0.795 1.00 0.00 O ATOM 989 CB ASN A 76 -12.737 2.926 3.521 1.00 0.00 C ATOM 990 CG ASN A 76 -13.754 3.543 4.462 1.00 0.00 C ATOM 991 OD1 ASN A 76 -14.929 3.680 4.120 1.00 0.00 O ATOM 992 ND2 ASN A 76 -13.306 3.920 5.654 1.00 0.00 N ATOM 0 H ASN A 76 -13.419 4.997 2.071 1.00 0.00 H new ATOM 0 HA ASN A 76 -11.043 4.241 3.651 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -13.258 2.400 2.721 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -12.150 2.183 4.061 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -13.944 4.342 6.329 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -12.324 3.787 5.895 1.00 0.00 H new ATOM 999 N TYR A 77 -9.768 3.498 1.672 1.00 0.00 N ATOM 1000 CA TYR A 77 -8.974 2.982 0.563 1.00 0.00 C ATOM 1001 C TYR A 77 -8.471 1.573 0.862 1.00 0.00 C ATOM 1002 O TYR A 77 -7.708 1.360 1.805 1.00 0.00 O ATOM 1003 CB TYR A 77 -7.790 3.909 0.282 1.00 0.00 C ATOM 1004 CG TYR A 77 -8.191 5.244 -0.303 1.00 0.00 C ATOM 1005 CD1 TYR A 77 -8.582 6.295 0.519 1.00 0.00 C ATOM 1006 CD2 TYR A 77 -8.181 5.456 -1.676 1.00 0.00 C ATOM 1007 CE1 TYR A 77 -8.950 7.517 -0.010 1.00 0.00 C ATOM 1008 CE2 TYR A 77 -8.547 6.674 -2.214 1.00 0.00 C ATOM 1009 CZ TYR A 77 -8.931 7.702 -1.377 1.00 0.00 C ATOM 1010 OH TYR A 77 -9.297 8.917 -1.909 1.00 0.00 O ATOM 0 H TYR A 77 -9.223 3.944 2.410 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.613 2.941 -0.319 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.244 4.078 1.210 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.105 3.412 -0.405 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.598 6.154 1.590 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -7.882 4.654 -2.334 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -9.251 8.323 0.643 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -8.533 6.821 -3.284 1.00 0.00 H new ATOM 0 HH TYR A 77 -9.860 9.399 -1.268 1.00 0.00 H new ATOM 1020 N LEU A 78 -8.905 0.614 0.052 1.00 0.00 N ATOM 1021 CA LEU A 78 -8.500 -0.777 0.228 1.00 0.00 C ATOM 1022 C LEU A 78 -7.115 -1.019 -0.363 1.00 0.00 C ATOM 1023 O LEU A 78 -6.908 -0.865 -1.567 1.00 0.00 O ATOM 1024 CB LEU A 78 -9.518 -1.712 -0.428 1.00 0.00 C ATOM 1025 CG LEU A 78 -9.550 -3.146 0.101 1.00 0.00 C ATOM 1026 CD1 LEU A 78 -8.257 -3.870 -0.240 1.00 0.00 C ATOM 1027 CD2 LEU A 78 -9.788 -3.154 1.604 1.00 0.00 C ATOM 0 H LEU A 78 -9.537 0.773 -0.733 1.00 0.00 H new ATOM 0 HA LEU A 78 -8.460 -0.986 1.297 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.511 -1.279 -0.306 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.314 -1.745 -1.498 1.00 0.00 H new ATOM 0 HG LEU A 78 -10.374 -3.672 -0.380 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.298 -4.889 0.145 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.129 -3.895 -1.322 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.416 -3.345 0.213 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.808 -4.183 1.964 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.985 -2.611 2.102 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -10.742 -2.674 1.824 1.00 0.00 H new ATOM 1039 N ILE A 79 -6.171 -1.401 0.491 1.00 0.00 N ATOM 1040 CA ILE A 79 -4.807 -1.668 0.052 1.00 0.00 C ATOM 1041 C ILE A 79 -4.544 -3.167 -0.043 1.00 0.00 C ATOM 1042 O ILE A 79 -4.632 -3.887 0.951 1.00 0.00 O ATOM 1043 CB ILE A 79 -3.775 -1.036 1.005 1.00 0.00 C ATOM 1044 CG1 ILE A 79 -3.948 0.484 1.044 1.00 0.00 C ATOM 1045 CG2 ILE A 79 -2.363 -1.403 0.575 1.00 0.00 C ATOM 1046 CD1 ILE A 79 -3.288 1.137 2.238 1.00 0.00 C ATOM 0 H ILE A 79 -6.326 -1.532 1.491 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.700 -1.219 -0.936 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.942 -1.427 2.009 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.534 0.912 0.131 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.012 0.720 1.053 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.645 -0.949 1.258 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.247 -2.487 0.594 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.184 -1.037 -0.436 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.451 2.214 2.200 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.719 0.737 3.156 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -2.218 0.932 2.220 1.00 0.00 H new ATOM 1058 N ALA A 80 -4.217 -3.629 -1.245 1.00 0.00 N ATOM 1059 CA ALA A 80 -3.937 -5.042 -1.470 1.00 0.00 C ATOM 1060 C ALA A 80 -2.436 -5.313 -1.454 1.00 0.00 C ATOM 1061 O ALA A 80 -1.673 -4.671 -2.176 1.00 0.00 O ATOM 1062 CB ALA A 80 -4.543 -5.497 -2.789 1.00 0.00 C ATOM 0 H ALA A 80 -4.139 -3.046 -2.078 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.392 -5.611 -0.659 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -4.326 -6.554 -2.944 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.622 -5.348 -2.764 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.115 -4.915 -3.606 1.00 0.00 H new ATOM 1068 N ILE A 81 -2.020 -6.265 -0.626 1.00 0.00 N ATOM 1069 CA ILE A 81 -0.611 -6.620 -0.517 1.00 0.00 C ATOM 1070 C ILE A 81 -0.409 -8.123 -0.680 1.00 0.00 C ATOM 1071 O ILE A 81 -0.767 -8.908 0.199 1.00 0.00 O ATOM 1072 CB ILE A 81 -0.021 -6.177 0.835 1.00 0.00 C ATOM 1073 CG1 ILE A 81 -0.238 -4.677 1.043 1.00 0.00 C ATOM 1074 CG2 ILE A 81 1.459 -6.519 0.904 1.00 0.00 C ATOM 1075 CD1 ILE A 81 -0.026 -4.228 2.472 1.00 0.00 C ATOM 0 H ILE A 81 -2.639 -6.804 -0.021 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.091 -6.097 -1.319 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.535 -6.713 1.633 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.442 -4.126 0.393 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.252 -4.419 0.736 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.862 -6.200 1.865 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.589 -7.596 0.796 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.989 -6.007 0.101 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.197 -3.154 2.545 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.724 -4.752 3.125 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.996 -4.454 2.777 1.00 0.00 H new ATOM 1087 N LYS A 82 0.170 -8.518 -1.808 1.00 0.00 N ATOM 1088 CA LYS A 82 0.425 -9.927 -2.086 1.00 0.00 C ATOM 1089 C LYS A 82 1.922 -10.200 -2.186 1.00 0.00 C ATOM 1090 O LYS A 82 2.717 -9.285 -2.402 1.00 0.00 O ATOM 1091 CB LYS A 82 -0.269 -10.345 -3.385 1.00 0.00 C ATOM 1092 CG LYS A 82 -1.757 -10.045 -3.403 1.00 0.00 C ATOM 1093 CD LYS A 82 -2.495 -10.944 -4.381 1.00 0.00 C ATOM 1094 CE LYS A 82 -3.903 -10.435 -4.653 1.00 0.00 C ATOM 1095 NZ LYS A 82 -3.898 -9.239 -5.540 1.00 0.00 N ATOM 0 H LYS A 82 0.472 -7.882 -2.546 1.00 0.00 H new ATOM 0 HA LYS A 82 0.022 -10.513 -1.260 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.206 -9.833 -4.222 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -0.120 -11.414 -3.539 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -2.168 -10.179 -2.403 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.916 -9.002 -3.676 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.939 -10.998 -5.317 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -2.544 -11.956 -3.980 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -4.493 -11.227 -5.114 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -4.388 -10.185 -3.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -4.871 -9.024 -5.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -3.507 -8.425 -5.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -3.313 -9.431 -6.378 1.00 0.00 H new ATOM 1109 N TYR A 83 2.300 -11.464 -2.029 1.00 0.00 N ATOM 1110 CA TYR A 83 3.702 -11.857 -2.101 1.00 0.00 C ATOM 1111 C TYR A 83 3.837 -13.321 -2.507 1.00 0.00 C ATOM 1112 O TYR A 83 3.123 -14.186 -2.001 1.00 0.00 O ATOM 1113 CB TYR A 83 4.389 -11.624 -0.754 1.00 0.00 C ATOM 1114 CG TYR A 83 5.898 -11.646 -0.831 1.00 0.00 C ATOM 1115 CD1 TYR A 83 6.612 -10.512 -1.197 1.00 0.00 C ATOM 1116 CD2 TYR A 83 6.611 -12.803 -0.539 1.00 0.00 C ATOM 1117 CE1 TYR A 83 7.991 -10.528 -1.270 1.00 0.00 C ATOM 1118 CE2 TYR A 83 7.991 -12.828 -0.608 1.00 0.00 C ATOM 1119 CZ TYR A 83 8.676 -11.688 -0.974 1.00 0.00 C ATOM 1120 OH TYR A 83 10.050 -11.708 -1.044 1.00 0.00 O ATOM 0 H TYR A 83 1.655 -12.234 -1.851 1.00 0.00 H new ATOM 0 HA TYR A 83 4.187 -11.242 -2.859 1.00 0.00 H new ATOM 0 HB2 TYR A 83 4.068 -10.662 -0.354 1.00 0.00 H new ATOM 0 HB3 TYR A 83 4.059 -12.388 -0.050 1.00 0.00 H new ATOM 0 HD1 TYR A 83 6.079 -9.602 -1.429 1.00 0.00 H new ATOM 0 HD2 TYR A 83 6.077 -13.698 -0.253 1.00 0.00 H new ATOM 0 HE1 TYR A 83 8.530 -9.637 -1.557 1.00 0.00 H new ATOM 0 HE2 TYR A 83 8.530 -13.735 -0.377 1.00 0.00 H new ATOM 0 HH TYR A 83 10.414 -12.087 -0.217 1.00 0.00 H new ATOM 1130 N GLY A 84 4.761 -13.592 -3.424 1.00 0.00 N ATOM 1131 CA GLY A 84 4.975 -14.952 -3.883 1.00 0.00 C ATOM 1132 C GLY A 84 3.685 -15.742 -3.976 1.00 0.00 C ATOM 1133 O GLY A 84 3.629 -16.902 -3.570 1.00 0.00 O ATOM 0 H GLY A 84 5.365 -12.894 -3.857 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.456 -14.931 -4.861 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.659 -15.458 -3.202 1.00 0.00 H new ATOM 1137 N GLY A 85 2.643 -15.112 -4.511 1.00 0.00 N ATOM 1138 CA GLY A 85 1.361 -15.778 -4.644 1.00 0.00 C ATOM 1139 C GLY A 85 0.236 -14.813 -4.959 1.00 0.00 C ATOM 1140 O GLY A 85 0.223 -13.670 -4.501 1.00 0.00 O ATOM 0 H GLY A 85 2.664 -14.152 -4.855 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.424 -16.527 -5.433 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.133 -16.308 -3.719 1.00 0.00 H new ATOM 1144 N PRO A 86 -0.737 -15.273 -5.760 1.00 0.00 N ATOM 1145 CA PRO A 86 -1.889 -14.457 -6.154 1.00 0.00 C ATOM 1146 C PRO A 86 -2.838 -14.193 -4.990 1.00 0.00 C ATOM 1147 O PRO A 86 -3.783 -13.413 -5.113 1.00 0.00 O ATOM 1148 CB PRO A 86 -2.578 -15.309 -7.223 1.00 0.00 C ATOM 1149 CG PRO A 86 -2.178 -16.709 -6.907 1.00 0.00 C ATOM 1150 CD PRO A 86 -0.787 -16.624 -6.341 1.00 0.00 C ATOM 0 HA PRO A 86 -1.588 -13.470 -6.505 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.661 -15.189 -7.188 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -2.258 -15.022 -8.225 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.865 -17.159 -6.190 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.198 -17.332 -7.801 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.612 -17.392 -5.588 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.030 -16.757 -7.114 1.00 0.00 H new ATOM 1158 N GLN A 87 -2.580 -14.846 -3.862 1.00 0.00 N ATOM 1159 CA GLN A 87 -3.412 -14.681 -2.676 1.00 0.00 C ATOM 1160 C GLN A 87 -2.885 -13.555 -1.793 1.00 0.00 C ATOM 1161 O GLN A 87 -1.731 -13.145 -1.916 1.00 0.00 O ATOM 1162 CB GLN A 87 -3.467 -15.986 -1.880 1.00 0.00 C ATOM 1163 CG GLN A 87 -4.179 -17.114 -2.609 1.00 0.00 C ATOM 1164 CD GLN A 87 -4.423 -18.319 -1.723 1.00 0.00 C ATOM 1165 OE1 GLN A 87 -4.114 -18.301 -0.531 1.00 0.00 O ATOM 1166 NE2 GLN A 87 -4.981 -19.377 -2.301 1.00 0.00 N ATOM 0 H GLN A 87 -1.801 -15.494 -3.744 1.00 0.00 H new ATOM 0 HA GLN A 87 -4.419 -14.420 -3.003 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -2.451 -16.301 -1.645 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.971 -15.802 -0.931 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -5.133 -16.750 -2.991 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -3.585 -17.416 -3.471 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -5.221 -19.349 -3.292 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -5.169 -20.217 -1.754 1.00 0.00 H new ATOM 1175 N HIS A 88 -3.738 -13.058 -0.903 1.00 0.00 N ATOM 1176 CA HIS A 88 -3.358 -11.979 0.001 1.00 0.00 C ATOM 1177 C HIS A 88 -2.488 -12.504 1.138 1.00 0.00 C ATOM 1178 O HIS A 88 -2.589 -13.670 1.522 1.00 0.00 O ATOM 1179 CB HIS A 88 -4.604 -11.298 0.568 1.00 0.00 C ATOM 1180 CG HIS A 88 -5.336 -10.458 -0.433 1.00 0.00 C ATOM 1181 ND1 HIS A 88 -5.547 -9.105 -0.270 1.00 0.00 N ATOM 1182 CD2 HIS A 88 -5.908 -10.788 -1.615 1.00 0.00 C ATOM 1183 CE1 HIS A 88 -6.218 -8.639 -1.309 1.00 0.00 C ATOM 1184 NE2 HIS A 88 -6.449 -9.639 -2.139 1.00 0.00 N ATOM 0 H HIS A 88 -4.697 -13.386 -0.789 1.00 0.00 H new ATOM 0 HA HIS A 88 -2.781 -11.249 -0.566 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -5.281 -12.060 0.954 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -4.314 -10.672 1.412 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -5.934 -11.771 -2.062 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -6.525 -7.614 -1.454 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -6.948 -9.570 -3.026 1.00 0.00 H new ATOM 1193 N ILE A 89 -1.634 -11.637 1.672 1.00 0.00 N ATOM 1194 CA ILE A 89 -0.747 -12.014 2.766 1.00 0.00 C ATOM 1195 C ILE A 89 -1.470 -11.950 4.107 1.00 0.00 C ATOM 1196 O ILE A 89 -2.469 -11.246 4.253 1.00 0.00 O ATOM 1197 CB ILE A 89 0.496 -11.106 2.821 1.00 0.00 C ATOM 1198 CG1 ILE A 89 0.095 -9.678 3.195 1.00 0.00 C ATOM 1199 CG2 ILE A 89 1.225 -11.125 1.486 1.00 0.00 C ATOM 1200 CD1 ILE A 89 1.180 -8.918 3.926 1.00 0.00 C ATOM 0 H ILE A 89 -1.538 -10.669 1.365 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.430 -13.039 2.576 1.00 0.00 H new ATOM 0 HB ILE A 89 1.172 -11.486 3.587 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.170 -9.134 2.288 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.798 -9.712 3.819 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.101 -10.479 1.541 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.539 -12.143 1.257 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.558 -10.767 0.702 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.826 -7.914 4.160 1.00 0.00 H new ATOM 0 HD12 ILE A 89 1.430 -9.439 4.850 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.067 -8.853 3.295 1.00 0.00 H new ATOM 1212 N VAL A 90 -0.957 -12.689 5.086 1.00 0.00 N ATOM 1213 CA VAL A 90 -1.551 -12.714 6.417 1.00 0.00 C ATOM 1214 C VAL A 90 -1.911 -11.309 6.885 1.00 0.00 C ATOM 1215 O VAL A 90 -1.050 -10.435 6.977 1.00 0.00 O ATOM 1216 CB VAL A 90 -0.600 -13.358 7.444 1.00 0.00 C ATOM 1217 CG1 VAL A 90 0.722 -12.607 7.491 1.00 0.00 C ATOM 1218 CG2 VAL A 90 -1.250 -13.397 8.819 1.00 0.00 C ATOM 0 H VAL A 90 -0.131 -13.278 4.982 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.459 -13.314 6.347 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.397 -14.383 7.134 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.381 -13.076 8.222 1.00 0.00 H new ATOM 0 HG12 VAL A 90 1.192 -12.635 6.508 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.542 -11.571 7.777 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.565 -13.855 9.532 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.483 -12.382 9.140 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.168 -13.982 8.771 1.00 0.00 H new ATOM 1228 N GLY A 91 -3.190 -11.098 7.179 1.00 0.00 N ATOM 1229 CA GLY A 91 -3.642 -9.796 7.635 1.00 0.00 C ATOM 1230 C GLY A 91 -4.343 -9.012 6.544 1.00 0.00 C ATOM 1231 O GLY A 91 -5.333 -8.327 6.801 1.00 0.00 O ATOM 0 H GLY A 91 -3.922 -11.805 7.110 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -4.320 -9.925 8.479 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.788 -9.224 7.997 1.00 0.00 H new ATOM 1235 N SER A 92 -3.828 -9.110 5.322 1.00 0.00 N ATOM 1236 CA SER A 92 -4.408 -8.399 4.189 1.00 0.00 C ATOM 1237 C SER A 92 -5.757 -9.000 3.803 1.00 0.00 C ATOM 1238 O SER A 92 -6.067 -10.148 4.120 1.00 0.00 O ATOM 1239 CB SER A 92 -3.457 -8.442 2.992 1.00 0.00 C ATOM 1240 OG SER A 92 -2.575 -7.333 3.001 1.00 0.00 O ATOM 0 H SER A 92 -3.010 -9.675 5.092 1.00 0.00 H new ATOM 0 HA SER A 92 -4.563 -7.361 4.484 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.882 -9.368 3.013 1.00 0.00 H new ATOM 0 HB3 SER A 92 -4.032 -8.445 2.066 1.00 0.00 H new ATOM 0 HG SER A 92 -2.693 -6.828 3.832 1.00 0.00 H new ATOM 1246 N PRO A 93 -6.579 -8.205 3.102 1.00 0.00 N ATOM 1247 CA PRO A 93 -6.221 -6.836 2.720 1.00 0.00 C ATOM 1248 C PRO A 93 -6.172 -5.893 3.918 1.00 0.00 C ATOM 1249 O PRO A 93 -6.394 -6.308 5.056 1.00 0.00 O ATOM 1250 CB PRO A 93 -7.345 -6.428 1.765 1.00 0.00 C ATOM 1251 CG PRO A 93 -8.504 -7.277 2.161 1.00 0.00 C ATOM 1252 CD PRO A 93 -7.921 -8.581 2.629 1.00 0.00 C ATOM 0 HA PRO A 93 -5.227 -6.784 2.277 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -7.580 -5.368 1.860 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -7.064 -6.601 0.726 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -9.083 -6.802 2.953 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -9.180 -7.431 1.320 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -8.518 -9.025 3.426 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.872 -9.312 1.822 1.00 0.00 H new ATOM 1260 N PHE A 94 -5.880 -4.624 3.654 1.00 0.00 N ATOM 1261 CA PHE A 94 -5.801 -3.622 4.712 1.00 0.00 C ATOM 1262 C PHE A 94 -6.684 -2.420 4.389 1.00 0.00 C ATOM 1263 O PHE A 94 -6.653 -1.893 3.276 1.00 0.00 O ATOM 1264 CB PHE A 94 -4.353 -3.168 4.906 1.00 0.00 C ATOM 1265 CG PHE A 94 -3.478 -4.211 5.542 1.00 0.00 C ATOM 1266 CD1 PHE A 94 -3.438 -4.354 6.919 1.00 0.00 C ATOM 1267 CD2 PHE A 94 -2.696 -5.047 4.761 1.00 0.00 C ATOM 1268 CE1 PHE A 94 -2.633 -5.312 7.506 1.00 0.00 C ATOM 1269 CE2 PHE A 94 -1.890 -6.007 5.343 1.00 0.00 C ATOM 1270 CZ PHE A 94 -1.859 -6.141 6.717 1.00 0.00 C ATOM 0 H PHE A 94 -5.694 -4.265 2.718 1.00 0.00 H new ATOM 0 HA PHE A 94 -6.159 -4.076 5.636 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -3.934 -2.894 3.938 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -4.342 -2.270 5.524 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.042 -3.710 7.541 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.717 -4.947 3.686 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -2.609 -5.413 8.581 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -1.285 -6.652 4.723 1.00 0.00 H new ATOM 0 HZ PHE A 94 -1.231 -6.892 7.174 1.00 0.00 H new ATOM 1280 N LYS A 95 -7.472 -1.992 5.369 1.00 0.00 N ATOM 1281 CA LYS A 95 -8.364 -0.853 5.192 1.00 0.00 C ATOM 1282 C LYS A 95 -7.689 0.441 5.637 1.00 0.00 C ATOM 1283 O LYS A 95 -7.159 0.527 6.744 1.00 0.00 O ATOM 1284 CB LYS A 95 -9.657 -1.063 5.984 1.00 0.00 C ATOM 1285 CG LYS A 95 -10.663 0.062 5.815 1.00 0.00 C ATOM 1286 CD LYS A 95 -11.599 -0.198 4.646 1.00 0.00 C ATOM 1287 CE LYS A 95 -10.967 0.211 3.325 1.00 0.00 C ATOM 1288 NZ LYS A 95 -11.983 0.356 2.245 1.00 0.00 N ATOM 0 H LYS A 95 -7.511 -2.418 6.295 1.00 0.00 H new ATOM 0 HA LYS A 95 -8.603 -0.773 4.132 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -10.117 -2.000 5.671 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.413 -1.165 7.041 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -11.244 0.172 6.730 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -10.135 1.003 5.658 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -11.858 -1.256 4.614 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -12.528 0.353 4.792 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -10.436 1.154 3.453 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -10.227 -0.534 3.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -11.743 1.175 1.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -11.994 -0.504 1.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.922 0.499 2.669 1.00 0.00 H new ATOM 1302 N ALA A 96 -7.713 1.445 4.766 1.00 0.00 N ATOM 1303 CA ALA A 96 -7.106 2.735 5.071 1.00 0.00 C ATOM 1304 C ALA A 96 -8.150 3.847 5.068 1.00 0.00 C ATOM 1305 O ALA A 96 -8.567 4.319 4.010 1.00 0.00 O ATOM 1306 CB ALA A 96 -5.999 3.046 4.074 1.00 0.00 C ATOM 0 H ALA A 96 -8.146 1.390 3.844 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.675 2.679 6.071 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.554 4.012 4.314 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.234 2.271 4.127 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.415 3.078 3.067 1.00 0.00 H new ATOM 1312 N LYS A 97 -8.570 4.260 6.259 1.00 0.00 N ATOM 1313 CA LYS A 97 -9.565 5.317 6.395 1.00 0.00 C ATOM 1314 C LYS A 97 -8.898 6.688 6.448 1.00 0.00 C ATOM 1315 O LYS A 97 -8.236 7.031 7.428 1.00 0.00 O ATOM 1316 CB LYS A 97 -10.403 5.097 7.657 1.00 0.00 C ATOM 1317 CG LYS A 97 -11.462 6.163 7.877 1.00 0.00 C ATOM 1318 CD LYS A 97 -11.760 6.357 9.354 1.00 0.00 C ATOM 1319 CE LYS A 97 -10.791 7.339 9.994 1.00 0.00 C ATOM 1320 NZ LYS A 97 -10.798 7.236 11.480 1.00 0.00 N ATOM 0 H LYS A 97 -8.237 3.879 7.144 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.217 5.283 5.522 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -10.888 4.123 7.596 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -9.741 5.070 8.523 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -11.125 7.106 7.446 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -12.376 5.882 7.354 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -12.781 6.720 9.476 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -11.699 5.397 9.868 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -9.784 7.151 9.622 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -11.055 8.355 9.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -10.125 7.921 11.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -11.753 7.441 11.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -10.521 6.274 11.763 1.00 0.00 H new ATOM 1334 N VAL A 98 -9.079 7.470 5.388 1.00 0.00 N ATOM 1335 CA VAL A 98 -8.497 8.805 5.314 1.00 0.00 C ATOM 1336 C VAL A 98 -9.536 9.875 5.632 1.00 0.00 C ATOM 1337 O VAL A 98 -10.674 9.810 5.166 1.00 0.00 O ATOM 1338 CB VAL A 98 -7.900 9.082 3.922 1.00 0.00 C ATOM 1339 CG1 VAL A 98 -7.348 10.497 3.849 1.00 0.00 C ATOM 1340 CG2 VAL A 98 -6.821 8.061 3.593 1.00 0.00 C ATOM 0 H VAL A 98 -9.624 7.202 4.569 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.700 8.844 6.056 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.693 8.990 3.180 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -6.930 10.674 2.858 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -8.150 11.211 4.038 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -6.567 10.622 4.599 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -6.410 8.272 2.606 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -6.026 8.119 4.337 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.253 7.060 3.600 1.00 0.00 H new ATOM 1350 N THR A 99 -9.137 10.862 6.428 1.00 0.00 N ATOM 1351 CA THR A 99 -10.032 11.947 6.809 1.00 0.00 C ATOM 1352 C THR A 99 -9.545 13.281 6.257 1.00 0.00 C ATOM 1353 O THR A 99 -8.362 13.449 5.966 1.00 0.00 O ATOM 1354 CB THR A 99 -10.164 12.055 8.340 1.00 0.00 C ATOM 1355 OG1 THR A 99 -11.012 13.157 8.682 1.00 0.00 O ATOM 1356 CG2 THR A 99 -8.800 12.238 8.989 1.00 0.00 C ATOM 0 H THR A 99 -8.199 10.932 6.822 1.00 0.00 H new ATOM 0 HA THR A 99 -11.008 11.716 6.383 1.00 0.00 H new ATOM 0 HB THR A 99 -10.604 11.129 8.711 1.00 0.00 H new ATOM 0 HG1 THR A 99 -11.092 13.218 9.657 1.00 0.00 H new ATOM 0 HG21 THR A 99 -8.918 12.312 10.070 1.00 0.00 H new ATOM 0 HG22 THR A 99 -8.166 11.384 8.751 1.00 0.00 H new ATOM 0 HG23 THR A 99 -8.337 13.150 8.612 1.00 0.00 H new ATOM 1364 N GLY A 100 -10.467 14.230 6.114 1.00 0.00 N ATOM 1365 CA GLY A 100 -10.111 15.538 5.597 1.00 0.00 C ATOM 1366 C GLY A 100 -11.011 15.976 4.459 1.00 0.00 C ATOM 1367 O GLY A 100 -11.736 15.175 3.869 1.00 0.00 O ATOM 0 H GLY A 100 -11.453 14.115 6.347 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -10.166 16.271 6.402 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.077 15.520 5.252 1.00 0.00 H new ATOM 1371 N PRO A 101 -10.973 17.277 4.136 1.00 0.00 N ATOM 1372 CA PRO A 101 -11.786 17.850 3.060 1.00 0.00 C ATOM 1373 C PRO A 101 -11.326 17.394 1.679 1.00 0.00 C ATOM 1374 O PRO A 101 -10.153 17.529 1.330 1.00 0.00 O ATOM 1375 CB PRO A 101 -11.577 19.358 3.221 1.00 0.00 C ATOM 1376 CG PRO A 101 -10.255 19.487 3.896 1.00 0.00 C ATOM 1377 CD PRO A 101 -10.131 18.290 4.797 1.00 0.00 C ATOM 0 HA PRO A 101 -12.829 17.540 3.129 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -11.579 19.863 2.255 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -12.372 19.806 3.817 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.445 19.512 3.167 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -10.198 20.413 4.468 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.096 17.958 4.884 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -10.482 18.508 5.806 1.00 0.00 H new