USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 914 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 10 LYS NZ :NH3+ 154:sc= 0.556 (180deg=0) USER MOD Set 1.2: A 14 THR OG1 : rot 84:sc= 0.943 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.0402 X(o=-0.04,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.0511 X(o=-0.051,f=-0.017) USER MOD Single : A 23 GLN : amide:sc= -1.49 K(o=-1.5,f=-5!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.334! X(o=-0.33!,f=0) USER MOD Single : A 38 SER OG : rot -81:sc= 1.34 USER MOD Single : A 40 ASN : amide:sc= 0.143 K(o=0.14,f=-4.7!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 173:sc= 0.731 (180deg=0.687) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0.136 USER MOD Single : A 51 THR OG1 : rot 170:sc= 0 USER MOD Single : A 53 TYR OH : rot -130:sc= -0.621 USER MOD Single : A 54 ASN : amide:sc= 0.0382 X(o=0.038,f=-0.24) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0504) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 160:sc= -0.0456 (180deg=-0.363) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.0019) USER MOD Single : A 75 THR OG1 : rot 102:sc= 1.22 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.167 X(o=-0.17,f=-0.17) USER MOD Single : A 87 SER OG : rot 82:sc= 0.15 USER MOD Single : A 97 ASN : amide:sc= 1.16 K(o=1.2,f=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= -0.0123 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ -177:sc= 1.25 (180deg=1.15) USER MOD Single : A 117 ASN : amide:sc= 0.0727 X(o=0.073,f=-0.013) USER MOD Single : A 118 SER OG : rot -44:sc= 0.229 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -2.864 9.087 -8.456 1.00 0.00 N ATOM 60 CA GLY A 7 -1.956 10.220 -8.379 1.00 0.00 C ATOM 61 C GLY A 7 -0.519 9.807 -8.064 1.00 0.00 C ATOM 62 O GLY A 7 -0.210 8.635 -7.834 1.00 0.00 O ATOM 0 HA2 GLY A 7 -1.975 10.760 -9.326 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.307 10.910 -7.612 1.00 0.00 H new ATOM 66 N SER A 8 0.362 10.805 -8.044 1.00 0.00 N ATOM 67 CA SER A 8 1.765 10.683 -7.680 1.00 0.00 C ATOM 68 C SER A 8 1.910 10.074 -6.286 1.00 0.00 C ATOM 69 O SER A 8 0.989 10.133 -5.473 1.00 0.00 O ATOM 70 CB SER A 8 2.384 12.081 -7.668 1.00 0.00 C ATOM 71 OG SER A 8 2.299 12.729 -8.925 1.00 0.00 O ATOM 0 H SER A 8 0.103 11.760 -8.292 1.00 0.00 H new ATOM 0 HA SER A 8 2.266 10.037 -8.401 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.882 12.689 -6.916 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.430 12.008 -7.372 1.00 0.00 H new ATOM 0 HG SER A 8 2.707 13.618 -8.863 1.00 0.00 H new ATOM 77 N ALA A 9 3.105 9.582 -5.963 1.00 0.00 N ATOM 78 CA ALA A 9 3.365 8.905 -4.703 1.00 0.00 C ATOM 79 C ALA A 9 2.978 9.732 -3.480 1.00 0.00 C ATOM 80 O ALA A 9 2.219 9.272 -2.624 1.00 0.00 O ATOM 81 CB ALA A 9 4.833 8.508 -4.652 1.00 0.00 C ATOM 0 H ALA A 9 3.920 9.644 -6.573 1.00 0.00 H new ATOM 0 HA ALA A 9 2.733 8.018 -4.665 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.040 7.999 -3.711 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.058 7.840 -5.483 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.454 9.401 -4.726 1.00 0.00 H new ATOM 87 N LYS A 10 3.451 10.981 -3.417 1.00 0.00 N ATOM 88 CA LYS A 10 3.089 11.889 -2.331 1.00 0.00 C ATOM 89 C LYS A 10 1.579 12.060 -2.207 1.00 0.00 C ATOM 90 O LYS A 10 1.140 12.361 -1.111 1.00 0.00 O ATOM 91 CB LYS A 10 3.757 13.269 -2.523 1.00 0.00 C ATOM 92 CG LYS A 10 4.890 13.538 -1.519 1.00 0.00 C ATOM 93 CD LYS A 10 4.388 13.945 -0.119 1.00 0.00 C ATOM 94 CE LYS A 10 3.906 15.401 -0.110 1.00 0.00 C ATOM 95 NZ LYS A 10 3.318 15.800 1.183 1.00 0.00 N ATOM 0 H LYS A 10 4.085 11.384 -4.107 1.00 0.00 H new ATOM 0 HA LYS A 10 3.453 11.438 -1.408 1.00 0.00 H new ATOM 0 HB2 LYS A 10 4.154 13.335 -3.536 1.00 0.00 H new ATOM 0 HB3 LYS A 10 3.001 14.048 -2.425 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.505 12.643 -1.429 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.531 14.328 -1.910 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.574 13.287 0.185 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.189 13.819 0.609 1.00 0.00 H new ATOM 0 HE2 LYS A 10 4.744 16.058 -0.341 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.166 15.539 -0.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.414 16.828 1.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.311 15.542 1.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.814 15.312 1.956 1.00 0.00 H new ATOM 109 N ASN A 11 0.791 11.919 -3.279 1.00 0.00 N ATOM 110 CA ASN A 11 -0.644 12.187 -3.243 1.00 0.00 C ATOM 111 C ASN A 11 -1.332 11.325 -2.189 1.00 0.00 C ATOM 112 O ASN A 11 -2.015 11.841 -1.308 1.00 0.00 O ATOM 113 CB ASN A 11 -1.299 11.975 -4.615 1.00 0.00 C ATOM 114 CG ASN A 11 -2.694 12.566 -4.580 1.00 0.00 C ATOM 115 OD1 ASN A 11 -2.847 13.758 -4.835 1.00 0.00 O ATOM 116 ND2 ASN A 11 -3.703 11.783 -4.229 1.00 0.00 N ATOM 0 H ASN A 11 1.132 11.617 -4.191 1.00 0.00 H new ATOM 0 HA ASN A 11 -0.768 13.236 -2.974 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -0.706 12.451 -5.395 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -1.344 10.912 -4.853 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -4.646 12.165 -4.163 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -3.537 10.798 -4.025 1.00 0.00 H new ATOM 123 N ALA A 12 -1.126 10.011 -2.280 1.00 0.00 N ATOM 124 CA ALA A 12 -1.712 9.045 -1.366 1.00 0.00 C ATOM 125 C ALA A 12 -1.237 9.312 0.065 1.00 0.00 C ATOM 126 O ALA A 12 -2.055 9.463 0.971 1.00 0.00 O ATOM 127 CB ALA A 12 -1.362 7.636 -1.856 1.00 0.00 C ATOM 0 H ALA A 12 -0.540 9.588 -3.000 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.798 9.138 -1.350 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.795 6.898 -1.181 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.763 7.489 -2.859 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.279 7.517 -1.878 1.00 0.00 H new ATOM 133 N TYR A 13 0.081 9.426 0.270 1.00 0.00 N ATOM 134 CA TYR A 13 0.651 9.675 1.592 1.00 0.00 C ATOM 135 C TYR A 13 0.161 10.981 2.220 1.00 0.00 C ATOM 136 O TYR A 13 -0.031 11.051 3.436 1.00 0.00 O ATOM 137 CB TYR A 13 2.169 9.732 1.509 1.00 0.00 C ATOM 138 CG TYR A 13 2.795 9.965 2.870 1.00 0.00 C ATOM 139 CD1 TYR A 13 2.809 8.919 3.816 1.00 0.00 C ATOM 140 CD2 TYR A 13 3.262 11.248 3.224 1.00 0.00 C ATOM 141 CE1 TYR A 13 3.329 9.140 5.101 1.00 0.00 C ATOM 142 CE2 TYR A 13 3.864 11.449 4.480 1.00 0.00 C ATOM 143 CZ TYR A 13 3.898 10.392 5.416 1.00 0.00 C ATOM 144 OH TYR A 13 4.470 10.559 6.633 1.00 0.00 O ATOM 0 H TYR A 13 0.775 9.348 -0.473 1.00 0.00 H new ATOM 0 HA TYR A 13 0.321 8.848 2.221 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.546 8.799 1.090 1.00 0.00 H new ATOM 0 HB3 TYR A 13 2.467 10.531 0.830 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.419 7.947 3.551 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.158 12.072 2.534 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.294 8.357 5.844 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.298 12.407 4.727 1.00 0.00 H new ATOM 0 HH TYR A 13 4.820 11.471 6.707 1.00 0.00 H new ATOM 154 N THR A 14 -0.014 12.019 1.404 1.00 0.00 N ATOM 155 CA THR A 14 -0.523 13.295 1.844 1.00 0.00 C ATOM 156 C THR A 14 -1.875 13.074 2.529 1.00 0.00 C ATOM 157 O THR A 14 -2.062 13.524 3.662 1.00 0.00 O ATOM 158 CB THR A 14 -0.605 14.243 0.639 1.00 0.00 C ATOM 159 OG1 THR A 14 0.665 14.804 0.358 1.00 0.00 O ATOM 160 CG2 THR A 14 -1.572 15.391 0.848 1.00 0.00 C ATOM 0 H THR A 14 0.200 11.986 0.407 1.00 0.00 H new ATOM 0 HA THR A 14 0.139 13.762 2.573 1.00 0.00 H new ATOM 0 HB THR A 14 -0.961 13.630 -0.189 1.00 0.00 H new ATOM 0 HG1 THR A 14 1.183 14.181 -0.193 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.583 16.024 -0.040 1.00 0.00 H new ATOM 0 HG22 THR A 14 -2.573 14.996 1.025 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.257 15.980 1.709 1.00 0.00 H new ATOM 168 N LYS A 15 -2.806 12.397 1.847 1.00 0.00 N ATOM 169 CA LYS A 15 -4.142 12.155 2.372 1.00 0.00 C ATOM 170 C LYS A 15 -4.061 11.351 3.660 1.00 0.00 C ATOM 171 O LYS A 15 -4.568 11.815 4.673 1.00 0.00 O ATOM 172 CB LYS A 15 -5.040 11.512 1.303 1.00 0.00 C ATOM 173 CG LYS A 15 -5.294 12.453 0.107 1.00 0.00 C ATOM 174 CD LYS A 15 -6.124 13.687 0.498 1.00 0.00 C ATOM 175 CE LYS A 15 -6.286 14.690 -0.640 1.00 0.00 C ATOM 176 NZ LYS A 15 -7.172 14.174 -1.701 1.00 0.00 N ATOM 0 H LYS A 15 -2.649 12.005 0.919 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.612 13.105 2.626 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.575 10.593 0.947 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.993 11.234 1.752 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.339 12.777 -0.306 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.812 11.905 -0.680 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.110 13.363 0.830 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.649 14.182 1.345 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.693 15.622 -0.248 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.308 14.921 -1.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.258 14.883 -2.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.771 13.298 -2.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.112 13.977 -1.303 1.00 0.00 H new ATOM 190 N LEU A 16 -3.333 10.233 3.654 1.00 0.00 N ATOM 191 CA LEU A 16 -3.059 9.337 4.749 1.00 0.00 C ATOM 192 C LEU A 16 -3.017 10.020 6.112 1.00 0.00 C ATOM 193 O LEU A 16 -3.698 9.565 7.023 1.00 0.00 O ATOM 194 CB LEU A 16 -1.763 8.580 4.402 1.00 0.00 C ATOM 195 CG LEU A 16 -1.999 7.073 4.322 1.00 0.00 C ATOM 196 CD1 LEU A 16 -2.763 6.698 3.050 1.00 0.00 C ATOM 197 CD2 LEU A 16 -0.663 6.327 4.317 1.00 0.00 C ATOM 0 H LEU A 16 -2.884 9.914 2.796 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.884 8.634 4.860 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.374 8.940 3.449 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.004 8.791 5.156 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.588 6.790 5.194 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.915 5.619 3.022 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.730 7.201 3.044 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.189 7.006 2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.846 5.254 4.260 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.074 6.641 3.455 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.116 6.554 5.232 1.00 0.00 H new ATOM 209 N GLY A 17 -2.231 11.090 6.265 1.00 0.00 N ATOM 210 CA GLY A 17 -2.022 11.728 7.557 1.00 0.00 C ATOM 211 C GLY A 17 -2.771 13.038 7.776 1.00 0.00 C ATOM 212 O GLY A 17 -2.567 13.664 8.816 1.00 0.00 O ATOM 0 H GLY A 17 -1.726 11.533 5.497 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.315 11.028 8.339 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -0.955 11.915 7.681 1.00 0.00 H new ATOM 216 N THR A 18 -3.619 13.484 6.850 1.00 0.00 N ATOM 217 CA THR A 18 -4.561 14.581 7.090 1.00 0.00 C ATOM 218 C THR A 18 -5.992 14.038 7.188 1.00 0.00 C ATOM 219 O THR A 18 -6.877 14.705 7.722 1.00 0.00 O ATOM 220 CB THR A 18 -4.355 15.669 6.021 1.00 0.00 C ATOM 221 OG1 THR A 18 -4.931 16.906 6.416 1.00 0.00 O ATOM 222 CG2 THR A 18 -4.885 15.292 4.647 1.00 0.00 C ATOM 0 H THR A 18 -3.674 13.095 5.909 1.00 0.00 H new ATOM 0 HA THR A 18 -4.372 15.059 8.051 1.00 0.00 H new ATOM 0 HB THR A 18 -3.273 15.771 5.937 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.781 17.575 5.716 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.702 16.110 3.950 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.377 14.394 4.295 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.956 15.101 4.710 1.00 0.00 H new ATOM 230 N ASP A 19 -6.206 12.807 6.731 1.00 0.00 N ATOM 231 CA ASP A 19 -7.461 12.094 6.668 1.00 0.00 C ATOM 232 C ASP A 19 -7.203 10.809 7.442 1.00 0.00 C ATOM 233 O ASP A 19 -7.060 9.773 6.820 1.00 0.00 O ATOM 234 CB ASP A 19 -7.813 11.785 5.200 1.00 0.00 C ATOM 235 CG ASP A 19 -8.100 13.012 4.348 1.00 0.00 C ATOM 236 OD1 ASP A 19 -9.112 13.704 4.609 1.00 0.00 O ATOM 237 OD2 ASP A 19 -7.394 13.256 3.352 1.00 0.00 O ATOM 0 H ASP A 19 -5.437 12.244 6.367 1.00 0.00 H new ATOM 0 HA ASP A 19 -8.295 12.662 7.081 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.989 11.231 4.751 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -8.685 11.131 5.179 1.00 0.00 H new ATOM 242 N ASP A 20 -7.076 10.842 8.770 1.00 0.00 N ATOM 243 CA ASP A 20 -6.540 9.718 9.570 1.00 0.00 C ATOM 244 C ASP A 20 -7.284 8.381 9.368 1.00 0.00 C ATOM 245 O ASP A 20 -6.747 7.296 9.621 1.00 0.00 O ATOM 246 CB ASP A 20 -6.573 10.110 11.053 1.00 0.00 C ATOM 247 CG ASP A 20 -6.234 8.931 11.967 1.00 0.00 C ATOM 248 OD1 ASP A 20 -5.069 8.474 11.983 1.00 0.00 O ATOM 249 OD2 ASP A 20 -7.135 8.430 12.674 1.00 0.00 O ATOM 0 H ASP A 20 -7.341 11.651 9.332 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.522 9.543 9.223 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.865 10.920 11.229 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.563 10.491 11.305 1.00 0.00 H new ATOM 254 N ASN A 21 -8.532 8.446 8.901 1.00 0.00 N ATOM 255 CA ASN A 21 -9.356 7.284 8.560 1.00 0.00 C ATOM 256 C ASN A 21 -8.772 6.526 7.363 1.00 0.00 C ATOM 257 O ASN A 21 -9.191 5.411 7.058 1.00 0.00 O ATOM 258 CB ASN A 21 -10.799 7.717 8.231 1.00 0.00 C ATOM 259 CG ASN A 21 -11.406 8.570 9.333 1.00 0.00 C ATOM 260 OD1 ASN A 21 -11.845 8.073 10.364 1.00 0.00 O ATOM 261 ND2 ASN A 21 -11.409 9.882 9.147 1.00 0.00 N ATOM 0 H ASN A 21 -9.011 9.333 8.745 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.365 6.624 9.427 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.805 8.276 7.296 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -11.416 6.832 8.077 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -11.781 10.499 9.869 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.039 10.275 8.282 1.00 0.00 H new ATOM 268 N ALA A 22 -7.852 7.150 6.632 1.00 0.00 N ATOM 269 CA ALA A 22 -7.167 6.596 5.495 1.00 0.00 C ATOM 270 C ALA A 22 -6.126 5.573 5.947 1.00 0.00 C ATOM 271 O ALA A 22 -5.652 5.585 7.088 1.00 0.00 O ATOM 272 CB ALA A 22 -6.525 7.738 4.712 1.00 0.00 C ATOM 0 H ALA A 22 -7.558 8.105 6.838 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.872 6.073 4.849 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.001 7.335 3.845 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.298 8.430 4.379 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.817 8.265 5.352 1.00 0.00 H new ATOM 278 N GLN A 23 -5.764 4.661 5.046 1.00 0.00 N ATOM 279 CA GLN A 23 -5.027 3.450 5.379 1.00 0.00 C ATOM 280 C GLN A 23 -4.129 2.995 4.237 1.00 0.00 C ATOM 281 O GLN A 23 -4.226 3.511 3.127 1.00 0.00 O ATOM 282 CB GLN A 23 -6.047 2.349 5.697 1.00 0.00 C ATOM 283 CG GLN A 23 -6.413 2.320 7.187 1.00 0.00 C ATOM 284 CD GLN A 23 -5.304 1.712 8.045 1.00 0.00 C ATOM 285 OE1 GLN A 23 -4.219 1.380 7.564 1.00 0.00 O ATOM 286 NE2 GLN A 23 -5.547 1.548 9.329 1.00 0.00 N ATOM 0 H GLN A 23 -5.979 4.746 4.052 1.00 0.00 H new ATOM 0 HA GLN A 23 -4.383 3.655 6.234 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.948 2.507 5.105 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.639 1.381 5.405 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.618 3.335 7.528 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.330 1.746 7.323 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.448 1.826 9.717 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -4.834 1.143 9.935 1.00 0.00 H new ATOM 295 N LEU A 24 -3.290 1.984 4.492 1.00 0.00 N ATOM 296 CA LEU A 24 -2.312 1.488 3.531 1.00 0.00 C ATOM 297 C LEU A 24 -2.406 -0.029 3.393 1.00 0.00 C ATOM 298 O LEU A 24 -2.241 -0.743 4.387 1.00 0.00 O ATOM 299 CB LEU A 24 -0.916 1.932 3.985 1.00 0.00 C ATOM 300 CG LEU A 24 0.146 2.015 2.878 1.00 0.00 C ATOM 301 CD1 LEU A 24 0.308 0.768 2.008 1.00 0.00 C ATOM 302 CD2 LEU A 24 -0.102 3.254 2.022 1.00 0.00 C ATOM 0 H LEU A 24 -3.275 1.486 5.382 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.515 1.904 2.544 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.001 2.911 4.456 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.565 1.239 4.750 1.00 0.00 H new ATOM 0 HG LEU A 24 1.100 2.089 3.400 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.084 0.943 1.263 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.590 -0.078 2.634 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.635 0.550 1.506 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.652 3.311 1.237 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.092 3.192 1.570 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.044 4.145 2.647 1.00 0.00 H new ATOM 314 N LEU A 25 -2.664 -0.512 2.173 1.00 0.00 N ATOM 315 CA LEU A 25 -2.647 -1.937 1.830 1.00 0.00 C ATOM 316 C LEU A 25 -1.457 -2.195 0.940 1.00 0.00 C ATOM 317 O LEU A 25 -1.441 -1.893 -0.249 1.00 0.00 O ATOM 318 CB LEU A 25 -3.954 -2.463 1.199 1.00 0.00 C ATOM 319 CG LEU A 25 -4.382 -3.877 1.638 1.00 0.00 C ATOM 320 CD1 LEU A 25 -3.631 -4.989 0.911 1.00 0.00 C ATOM 321 CD2 LEU A 25 -4.214 -4.140 3.123 1.00 0.00 C ATOM 0 H LEU A 25 -2.895 0.089 1.382 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.563 -2.497 2.761 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.758 -1.768 1.440 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.841 -2.457 0.115 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.440 -3.896 1.377 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.981 -5.958 1.268 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.812 -4.910 -0.161 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.563 -4.895 1.106 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.537 -5.156 3.351 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.166 -4.022 3.397 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.819 -3.431 3.689 1.00 0.00 H new ATOM 333 N ASP A 26 -0.405 -2.657 1.579 1.00 0.00 N ATOM 334 CA ASP A 26 0.843 -2.981 0.950 1.00 0.00 C ATOM 335 C ASP A 26 0.676 -4.350 0.298 1.00 0.00 C ATOM 336 O ASP A 26 0.517 -5.364 0.993 1.00 0.00 O ATOM 337 CB ASP A 26 1.906 -2.942 2.034 1.00 0.00 C ATOM 338 CG ASP A 26 3.295 -3.096 1.461 1.00 0.00 C ATOM 339 OD1 ASP A 26 3.452 -3.694 0.378 1.00 0.00 O ATOM 340 OD2 ASP A 26 4.205 -2.679 2.209 1.00 0.00 O ATOM 0 H ASP A 26 -0.402 -2.821 2.586 1.00 0.00 H new ATOM 0 HA ASP A 26 1.145 -2.284 0.168 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.839 -1.999 2.576 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.720 -3.738 2.755 1.00 0.00 H new ATOM 345 N ILE A 27 0.584 -4.354 -1.034 1.00 0.00 N ATOM 346 CA ILE A 27 0.397 -5.558 -1.828 1.00 0.00 C ATOM 347 C ILE A 27 1.737 -6.105 -2.349 1.00 0.00 C ATOM 348 O ILE A 27 1.719 -7.033 -3.176 1.00 0.00 O ATOM 349 CB ILE A 27 -0.663 -5.374 -2.937 1.00 0.00 C ATOM 350 CG1 ILE A 27 -0.294 -4.342 -4.020 1.00 0.00 C ATOM 351 CG2 ILE A 27 -2.032 -5.089 -2.293 1.00 0.00 C ATOM 352 CD1 ILE A 27 -1.129 -4.502 -5.300 1.00 0.00 C ATOM 0 H ILE A 27 0.639 -3.504 -1.595 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.009 -6.324 -1.167 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.709 -6.312 -3.489 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.435 -3.337 -3.622 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.763 -4.442 -4.266 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.781 -4.959 -3.074 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.315 -5.926 -1.654 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.970 -4.180 -1.694 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.827 -3.749 -6.028 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.968 -5.496 -5.717 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.185 -4.374 -5.064 1.00 0.00 H new ATOM 364 N ARG A 28 2.881 -5.555 -1.908 1.00 0.00 N ATOM 365 CA ARG A 28 4.190 -6.068 -2.302 1.00 0.00 C ATOM 366 C ARG A 28 4.379 -7.469 -1.701 1.00 0.00 C ATOM 367 O ARG A 28 3.714 -7.863 -0.741 1.00 0.00 O ATOM 368 CB ARG A 28 5.329 -5.090 -1.911 1.00 0.00 C ATOM 369 CG ARG A 28 5.110 -3.698 -2.542 1.00 0.00 C ATOM 370 CD ARG A 28 6.276 -2.674 -2.529 1.00 0.00 C ATOM 371 NE ARG A 28 7.596 -3.228 -2.896 1.00 0.00 N ATOM 372 CZ ARG A 28 8.622 -2.663 -3.548 1.00 0.00 C ATOM 373 NH1 ARG A 28 8.632 -1.363 -3.808 1.00 0.00 N ATOM 374 NH2 ARG A 28 9.620 -3.419 -3.985 1.00 0.00 N ATOM 0 H ARG A 28 2.918 -4.754 -1.278 1.00 0.00 H new ATOM 0 HA ARG A 28 4.237 -6.151 -3.388 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.376 -4.997 -0.826 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.287 -5.494 -2.238 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.817 -3.850 -3.581 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.262 -3.237 -2.036 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.035 -1.863 -3.216 1.00 0.00 H new ATOM 0 HD3 ARG A 28 6.346 -2.238 -1.533 1.00 0.00 H new ATOM 0 HE ARG A 28 7.751 -4.194 -2.607 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.851 -0.777 -3.511 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.420 -0.948 -4.305 1.00 0.00 H new ATOM 0 HH21 ARG A 28 9.605 -4.426 -3.825 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.403 -2.993 -4.482 1.00 0.00 H new ATOM 388 N ALA A 29 5.279 -8.247 -2.304 1.00 0.00 N ATOM 389 CA ALA A 29 5.586 -9.623 -1.959 1.00 0.00 C ATOM 390 C ALA A 29 6.052 -9.754 -0.513 1.00 0.00 C ATOM 391 O ALA A 29 6.724 -8.872 0.015 1.00 0.00 O ATOM 392 CB ALA A 29 6.665 -10.135 -2.913 1.00 0.00 C ATOM 0 H ALA A 29 5.839 -7.910 -3.087 1.00 0.00 H new ATOM 0 HA ALA A 29 4.680 -10.220 -2.057 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.907 -11.169 -2.667 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.299 -10.082 -3.938 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.559 -9.519 -2.815 1.00 0.00 H new ATOM 398 N THR A 30 5.799 -10.901 0.116 1.00 0.00 N ATOM 399 CA THR A 30 6.184 -11.075 1.511 1.00 0.00 C ATOM 400 C THR A 30 7.704 -11.028 1.682 1.00 0.00 C ATOM 401 O THR A 30 8.194 -10.514 2.689 1.00 0.00 O ATOM 402 CB THR A 30 5.588 -12.355 2.096 1.00 0.00 C ATOM 403 OG1 THR A 30 4.207 -12.419 1.787 1.00 0.00 O ATOM 404 CG2 THR A 30 5.767 -12.371 3.616 1.00 0.00 C ATOM 0 H THR A 30 5.339 -11.706 -0.309 1.00 0.00 H new ATOM 0 HA THR A 30 5.771 -10.238 2.074 1.00 0.00 H new ATOM 0 HB THR A 30 6.102 -13.214 1.665 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.826 -13.241 2.161 1.00 0.00 H new ATOM 0 HG21 THR A 30 5.339 -13.287 4.023 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.829 -12.328 3.858 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.261 -11.509 4.051 1.00 0.00 H new ATOM 412 N ALA A 31 8.459 -11.538 0.705 1.00 0.00 N ATOM 413 CA ALA A 31 9.906 -11.451 0.772 1.00 0.00 C ATOM 414 C ALA A 31 10.419 -10.098 0.310 1.00 0.00 C ATOM 415 O ALA A 31 11.593 -9.780 0.505 1.00 0.00 O ATOM 416 CB ALA A 31 10.558 -12.527 -0.067 1.00 0.00 C ATOM 0 H ALA A 31 8.094 -12.006 -0.124 1.00 0.00 H new ATOM 0 HA ALA A 31 10.170 -11.589 1.820 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.642 -12.436 0.003 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.252 -13.508 0.297 1.00 0.00 H new ATOM 0 HB3 ALA A 31 10.251 -12.414 -1.107 1.00 0.00 H new ATOM 422 N ASP A 32 9.595 -9.306 -0.365 1.00 0.00 N ATOM 423 CA ASP A 32 9.972 -7.955 -0.741 1.00 0.00 C ATOM 424 C ASP A 32 10.181 -7.135 0.526 1.00 0.00 C ATOM 425 O ASP A 32 11.153 -6.395 0.617 1.00 0.00 O ATOM 426 CB ASP A 32 8.942 -7.346 -1.680 1.00 0.00 C ATOM 427 CG ASP A 32 9.463 -6.053 -2.240 1.00 0.00 C ATOM 428 OD1 ASP A 32 9.209 -5.015 -1.603 1.00 0.00 O ATOM 429 OD2 ASP A 32 10.035 -6.065 -3.348 1.00 0.00 O ATOM 0 H ASP A 32 8.659 -9.580 -0.663 1.00 0.00 H new ATOM 0 HA ASP A 32 10.910 -7.965 -1.296 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.720 -8.040 -2.490 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.008 -7.171 -1.146 1.00 0.00 H new ATOM 434 N PHE A 33 9.431 -7.420 1.597 1.00 0.00 N ATOM 435 CA PHE A 33 9.671 -6.813 2.903 1.00 0.00 C ATOM 436 C PHE A 33 10.997 -7.210 3.553 1.00 0.00 C ATOM 437 O PHE A 33 11.298 -6.705 4.637 1.00 0.00 O ATOM 438 CB PHE A 33 8.510 -7.164 3.839 1.00 0.00 C ATOM 439 CG PHE A 33 7.153 -6.886 3.232 1.00 0.00 C ATOM 440 CD1 PHE A 33 6.914 -5.642 2.628 1.00 0.00 C ATOM 441 CD2 PHE A 33 6.175 -7.892 3.162 1.00 0.00 C ATOM 442 CE1 PHE A 33 5.711 -5.389 1.973 1.00 0.00 C ATOM 443 CE2 PHE A 33 4.939 -7.625 2.539 1.00 0.00 C ATOM 444 CZ PHE A 33 4.706 -6.366 1.955 1.00 0.00 C ATOM 0 H PHE A 33 8.648 -8.073 1.579 1.00 0.00 H new ATOM 0 HA PHE A 33 9.736 -5.738 2.735 1.00 0.00 H new ATOM 0 HB2 PHE A 33 8.573 -8.219 4.106 1.00 0.00 H new ATOM 0 HB3 PHE A 33 8.611 -6.595 4.763 1.00 0.00 H new ATOM 0 HD1 PHE A 33 7.671 -4.873 2.671 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.369 -8.867 3.584 1.00 0.00 H new ATOM 0 HE1 PHE A 33 5.553 -4.441 1.480 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.172 -8.385 2.510 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.753 -6.153 1.493 1.00 0.00 H new ATOM 454 N ARG A 34 11.749 -8.144 2.967 1.00 0.00 N ATOM 455 CA ARG A 34 13.006 -8.660 3.508 1.00 0.00 C ATOM 456 C ARG A 34 14.182 -8.330 2.595 1.00 0.00 C ATOM 457 O ARG A 34 15.322 -8.345 3.065 1.00 0.00 O ATOM 458 CB ARG A 34 12.926 -10.182 3.654 1.00 0.00 C ATOM 459 CG ARG A 34 11.646 -10.742 4.310 1.00 0.00 C ATOM 460 CD ARG A 34 11.206 -10.098 5.634 1.00 0.00 C ATOM 461 NE ARG A 34 12.180 -10.255 6.724 1.00 0.00 N ATOM 462 CZ ARG A 34 11.960 -9.895 7.996 1.00 0.00 C ATOM 463 NH1 ARG A 34 10.837 -9.280 8.354 1.00 0.00 N ATOM 464 NH2 ARG A 34 12.865 -10.168 8.921 1.00 0.00 N ATOM 0 H ARG A 34 11.492 -8.574 2.078 1.00 0.00 H new ATOM 0 HA ARG A 34 13.162 -8.188 4.478 1.00 0.00 H new ATOM 0 HB2 ARG A 34 13.024 -10.626 2.663 1.00 0.00 H new ATOM 0 HB3 ARG A 34 13.783 -10.515 4.239 1.00 0.00 H new ATOM 0 HG2 ARG A 34 10.828 -10.644 3.596 1.00 0.00 H new ATOM 0 HG3 ARG A 34 11.792 -11.808 4.483 1.00 0.00 H new ATOM 0 HD2 ARG A 34 11.028 -9.035 5.469 1.00 0.00 H new ATOM 0 HD3 ARG A 34 10.257 -10.536 5.942 1.00 0.00 H new ATOM 0 HE ARG A 34 13.085 -10.666 6.496 1.00 0.00 H new ATOM 0 HH11 ARG A 34 10.123 -9.074 7.655 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.689 -9.014 9.328 1.00 0.00 H new ATOM 0 HH21 ARG A 34 13.726 -10.651 8.665 1.00 0.00 H new ATOM 0 HH22 ARG A 34 12.702 -9.896 9.890 1.00 0.00 H new ATOM 478 N GLN A 35 13.917 -8.054 1.313 1.00 0.00 N ATOM 479 CA GLN A 35 14.917 -7.680 0.317 1.00 0.00 C ATOM 480 C GLN A 35 14.879 -6.176 -0.015 1.00 0.00 C ATOM 481 O GLN A 35 15.920 -5.591 -0.296 1.00 0.00 O ATOM 482 CB GLN A 35 14.777 -8.592 -0.919 1.00 0.00 C ATOM 483 CG GLN A 35 13.765 -8.124 -1.970 1.00 0.00 C ATOM 484 CD GLN A 35 13.237 -9.281 -2.813 1.00 0.00 C ATOM 485 OE1 GLN A 35 13.659 -9.517 -3.941 1.00 0.00 O ATOM 486 NE2 GLN A 35 12.320 -10.062 -2.272 1.00 0.00 N ATOM 0 H GLN A 35 12.971 -8.087 0.933 1.00 0.00 H new ATOM 0 HA GLN A 35 15.912 -7.840 0.733 1.00 0.00 H new ATOM 0 HB2 GLN A 35 15.753 -8.683 -1.395 1.00 0.00 H new ATOM 0 HB3 GLN A 35 14.492 -9.589 -0.583 1.00 0.00 H new ATOM 0 HG2 GLN A 35 12.931 -7.627 -1.474 1.00 0.00 H new ATOM 0 HG3 GLN A 35 14.234 -7.386 -2.621 1.00 0.00 H new ATOM 0 HE21 GLN A 35 11.970 -9.864 -1.334 1.00 0.00 H new ATOM 0 HE22 GLN A 35 11.961 -10.863 -2.792 1.00 0.00 H new ATOM 495 N VAL A 36 13.705 -5.539 0.041 1.00 0.00 N ATOM 496 CA VAL A 36 13.500 -4.106 -0.145 1.00 0.00 C ATOM 497 C VAL A 36 13.244 -3.506 1.237 1.00 0.00 C ATOM 498 O VAL A 36 14.160 -2.954 1.844 1.00 0.00 O ATOM 499 CB VAL A 36 12.399 -3.804 -1.193 1.00 0.00 C ATOM 500 CG1 VAL A 36 12.244 -2.285 -1.428 1.00 0.00 C ATOM 501 CG2 VAL A 36 12.775 -4.469 -2.523 1.00 0.00 C ATOM 0 H VAL A 36 12.833 -6.035 0.226 1.00 0.00 H new ATOM 0 HA VAL A 36 14.385 -3.633 -0.571 1.00 0.00 H new ATOM 0 HB VAL A 36 11.455 -4.196 -0.814 1.00 0.00 H new ATOM 0 HG11 VAL A 36 11.464 -2.109 -2.168 1.00 0.00 H new ATOM 0 HG12 VAL A 36 11.972 -1.798 -0.492 1.00 0.00 H new ATOM 0 HG13 VAL A 36 13.187 -1.875 -1.790 1.00 0.00 H new ATOM 0 HG21 VAL A 36 12.004 -4.260 -3.265 1.00 0.00 H new ATOM 0 HG22 VAL A 36 13.730 -4.074 -2.870 1.00 0.00 H new ATOM 0 HG23 VAL A 36 12.859 -5.546 -2.380 1.00 0.00 H new ATOM 511 N GLY A 37 12.051 -3.679 1.802 1.00 0.00 N ATOM 512 CA GLY A 37 11.659 -3.138 3.097 1.00 0.00 C ATOM 513 C GLY A 37 10.159 -2.883 3.073 1.00 0.00 C ATOM 514 O GLY A 37 9.482 -3.439 2.215 1.00 0.00 O ATOM 0 H GLY A 37 11.309 -4.217 1.355 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.913 -3.838 3.893 1.00 0.00 H new ATOM 0 HA3 GLY A 37 12.198 -2.213 3.301 1.00 0.00 H new ATOM 518 N SER A 38 9.625 -2.083 3.996 1.00 0.00 N ATOM 519 CA SER A 38 8.198 -1.772 4.040 1.00 0.00 C ATOM 520 C SER A 38 7.973 -0.279 4.354 1.00 0.00 C ATOM 521 O SER A 38 8.841 0.324 4.988 1.00 0.00 O ATOM 522 CB SER A 38 7.535 -2.642 5.122 1.00 0.00 C ATOM 523 OG SER A 38 7.879 -4.011 5.037 1.00 0.00 O ATOM 0 H SER A 38 10.169 -1.634 4.732 1.00 0.00 H new ATOM 0 HA SER A 38 7.754 -1.983 3.067 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.819 -2.265 6.104 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.452 -2.542 5.044 1.00 0.00 H new ATOM 0 HG SER A 38 7.331 -4.444 4.349 1.00 0.00 H new ATOM 529 N PRO A 39 6.809 0.301 4.006 1.00 0.00 N ATOM 530 CA PRO A 39 6.459 1.702 4.245 1.00 0.00 C ATOM 531 C PRO A 39 6.195 2.018 5.725 1.00 0.00 C ATOM 532 O PRO A 39 5.442 1.317 6.412 1.00 0.00 O ATOM 533 CB PRO A 39 5.238 1.962 3.356 1.00 0.00 C ATOM 534 CG PRO A 39 4.586 0.592 3.179 1.00 0.00 C ATOM 535 CD PRO A 39 5.764 -0.363 3.246 1.00 0.00 C ATOM 0 HA PRO A 39 7.288 2.364 3.995 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.552 2.669 3.823 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.531 2.388 2.396 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.857 0.388 3.964 1.00 0.00 H new ATOM 0 HG3 PRO A 39 4.060 0.516 2.228 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.475 -1.299 3.725 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.115 -0.613 2.245 1.00 0.00 H new ATOM 543 N ASN A 40 6.872 3.053 6.240 1.00 0.00 N ATOM 544 CA ASN A 40 6.694 3.580 7.592 1.00 0.00 C ATOM 545 C ASN A 40 5.673 4.699 7.539 1.00 0.00 C ATOM 546 O ASN A 40 6.005 5.824 7.173 1.00 0.00 O ATOM 547 CB ASN A 40 7.992 4.130 8.209 1.00 0.00 C ATOM 548 CG ASN A 40 7.751 4.732 9.594 1.00 0.00 C ATOM 549 OD1 ASN A 40 6.697 4.545 10.199 1.00 0.00 O ATOM 550 ND2 ASN A 40 8.734 5.440 10.129 1.00 0.00 N ATOM 0 H ASN A 40 7.579 3.559 5.708 1.00 0.00 H new ATOM 0 HA ASN A 40 6.366 2.752 8.221 1.00 0.00 H new ATOM 0 HB2 ASN A 40 8.727 3.329 8.284 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.414 4.889 7.551 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.625 5.842 11.060 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.600 5.583 9.610 1.00 0.00 H new ATOM 557 N ILE A 41 4.440 4.395 7.908 1.00 0.00 N ATOM 558 CA ILE A 41 3.376 5.380 8.071 1.00 0.00 C ATOM 559 C ILE A 41 2.958 5.485 9.544 1.00 0.00 C ATOM 560 O ILE A 41 1.889 6.004 9.865 1.00 0.00 O ATOM 561 CB ILE A 41 2.221 5.024 7.121 1.00 0.00 C ATOM 562 CG1 ILE A 41 1.677 3.596 7.346 1.00 0.00 C ATOM 563 CG2 ILE A 41 2.670 5.183 5.659 1.00 0.00 C ATOM 564 CD1 ILE A 41 0.151 3.565 7.289 1.00 0.00 C ATOM 0 H ILE A 41 4.142 3.440 8.107 1.00 0.00 H new ATOM 0 HA ILE A 41 3.726 6.376 7.798 1.00 0.00 H new ATOM 0 HB ILE A 41 1.409 5.717 7.341 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.084 2.926 6.589 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.014 3.225 8.314 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.844 4.928 4.995 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.973 6.215 5.482 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.512 4.519 5.463 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.199 2.545 7.451 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.255 4.215 8.064 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.184 3.912 6.311 1.00 0.00 H new ATOM 576 N LYS A 42 3.767 4.923 10.449 1.00 0.00 N ATOM 577 CA LYS A 42 3.415 4.786 11.851 1.00 0.00 C ATOM 578 C LYS A 42 3.250 6.157 12.494 1.00 0.00 C ATOM 579 O LYS A 42 2.331 6.327 13.288 1.00 0.00 O ATOM 580 CB LYS A 42 4.498 3.947 12.535 1.00 0.00 C ATOM 581 CG LYS A 42 4.140 3.303 13.880 1.00 0.00 C ATOM 582 CD LYS A 42 2.834 2.502 13.865 1.00 0.00 C ATOM 583 CE LYS A 42 2.806 1.557 15.068 1.00 0.00 C ATOM 584 NZ LYS A 42 1.481 0.945 15.305 1.00 0.00 N ATOM 0 H LYS A 42 4.688 4.551 10.219 1.00 0.00 H new ATOM 0 HA LYS A 42 2.457 4.278 11.961 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.795 3.154 11.849 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.372 4.581 12.686 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.954 2.644 14.183 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.065 4.085 14.636 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.979 3.178 13.899 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.754 1.933 12.939 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.541 0.766 14.916 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.108 2.107 15.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.532 0.317 16.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.780 1.693 15.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.199 0.394 14.469 1.00 0.00 H new ATOM 598 N GLY A 43 4.048 7.137 12.060 1.00 0.00 N ATOM 599 CA GLY A 43 3.949 8.533 12.457 1.00 0.00 C ATOM 600 C GLY A 43 2.634 9.216 12.074 1.00 0.00 C ATOM 601 O GLY A 43 2.438 10.359 12.485 1.00 0.00 O ATOM 0 H GLY A 43 4.806 6.967 11.399 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.075 8.599 13.538 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.774 9.084 12.005 1.00 0.00 H new ATOM 605 N LEU A 44 1.750 8.561 11.309 1.00 0.00 N ATOM 606 CA LEU A 44 0.396 9.034 11.042 1.00 0.00 C ATOM 607 C LEU A 44 -0.589 8.437 12.044 1.00 0.00 C ATOM 608 O LEU A 44 -1.563 9.103 12.402 1.00 0.00 O ATOM 609 CB LEU A 44 0.028 8.810 9.561 1.00 0.00 C ATOM 610 CG LEU A 44 -0.909 7.659 9.168 1.00 0.00 C ATOM 611 CD1 LEU A 44 -2.400 7.937 9.421 1.00 0.00 C ATOM 612 CD2 LEU A 44 -0.796 7.447 7.661 1.00 0.00 C ATOM 0 H LEU A 44 1.965 7.674 10.854 1.00 0.00 H new ATOM 0 HA LEU A 44 0.340 10.112 11.193 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.422 9.733 9.196 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.960 8.671 9.013 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.602 6.809 9.777 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.988 7.072 9.115 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.560 8.127 10.482 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.710 8.809 8.845 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.454 6.633 7.358 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.087 8.361 7.142 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.233 7.196 7.405 1.00 0.00 H new ATOM 624 N GLY A 45 -0.347 7.209 12.512 1.00 0.00 N ATOM 625 CA GLY A 45 -1.213 6.542 13.471 1.00 0.00 C ATOM 626 C GLY A 45 -1.029 5.035 13.579 1.00 0.00 C ATOM 627 O GLY A 45 -1.461 4.442 14.570 1.00 0.00 O ATOM 0 H GLY A 45 0.460 6.653 12.231 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.046 6.983 14.454 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -2.249 6.746 13.202 1.00 0.00 H new ATOM 631 N LYS A 46 -0.498 4.381 12.539 1.00 0.00 N ATOM 632 CA LYS A 46 -0.595 2.923 12.396 1.00 0.00 C ATOM 633 C LYS A 46 0.358 2.456 11.311 1.00 0.00 C ATOM 634 O LYS A 46 0.748 3.265 10.474 1.00 0.00 O ATOM 635 CB LYS A 46 -2.065 2.485 12.167 1.00 0.00 C ATOM 636 CG LYS A 46 -2.857 2.816 10.884 1.00 0.00 C ATOM 637 CD LYS A 46 -2.481 4.063 10.072 1.00 0.00 C ATOM 638 CE LYS A 46 -3.565 4.518 9.082 1.00 0.00 C ATOM 639 NZ LYS A 46 -4.780 5.072 9.730 1.00 0.00 N ATOM 0 H LYS A 46 0.006 4.841 11.781 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.288 2.436 13.321 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.082 1.400 12.268 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.641 2.892 12.998 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.779 1.956 10.219 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.907 2.910 11.162 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.267 4.881 10.760 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.562 3.861 9.521 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.143 5.273 8.419 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.852 3.671 8.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.413 5.464 9.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.273 4.316 10.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.507 5.824 10.394 1.00 0.00 H new ATOM 653 N LYS A 47 0.827 1.204 11.344 1.00 0.00 N ATOM 654 CA LYS A 47 1.695 0.705 10.272 1.00 0.00 C ATOM 655 C LYS A 47 0.796 0.334 9.092 1.00 0.00 C ATOM 656 O LYS A 47 -0.430 0.270 9.238 1.00 0.00 O ATOM 657 CB LYS A 47 2.573 -0.482 10.737 1.00 0.00 C ATOM 658 CG LYS A 47 4.030 -0.398 10.230 1.00 0.00 C ATOM 659 CD LYS A 47 5.000 0.138 11.299 1.00 0.00 C ATOM 660 CE LYS A 47 5.354 -0.911 12.363 1.00 0.00 C ATOM 661 NZ LYS A 47 6.532 -1.744 12.029 1.00 0.00 N ATOM 0 H LYS A 47 0.626 0.531 12.083 1.00 0.00 H new ATOM 0 HA LYS A 47 2.402 1.478 9.972 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.576 -0.518 11.826 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.127 -1.414 10.388 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.357 -1.388 9.911 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.069 0.248 9.353 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.915 0.480 10.814 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.554 1.005 11.785 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.539 -0.403 13.310 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.494 -1.563 12.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.704 -2.425 12.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.354 -2.258 11.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.367 -1.134 11.914 1.00 0.00 H new ATOM 675 N ALA A 48 1.391 0.066 7.933 1.00 0.00 N ATOM 676 CA ALA A 48 0.660 -0.465 6.793 1.00 0.00 C ATOM 677 C ALA A 48 0.234 -1.916 7.045 1.00 0.00 C ATOM 678 O ALA A 48 0.598 -2.529 8.058 1.00 0.00 O ATOM 679 CB ALA A 48 1.539 -0.323 5.550 1.00 0.00 C ATOM 0 H ALA A 48 2.386 0.210 7.761 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.261 0.097 6.637 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.009 -0.716 4.683 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.772 0.729 5.387 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.464 -0.881 5.693 1.00 0.00 H new ATOM 685 N VAL A 49 -0.525 -2.486 6.114 1.00 0.00 N ATOM 686 CA VAL A 49 -1.014 -3.854 6.159 1.00 0.00 C ATOM 687 C VAL A 49 -0.418 -4.588 4.974 1.00 0.00 C ATOM 688 O VAL A 49 -0.799 -4.354 3.834 1.00 0.00 O ATOM 689 CB VAL A 49 -2.556 -3.850 6.142 1.00 0.00 C ATOM 690 CG1 VAL A 49 -3.104 -5.283 6.047 1.00 0.00 C ATOM 691 CG2 VAL A 49 -3.179 -3.154 7.363 1.00 0.00 C ATOM 0 H VAL A 49 -0.826 -1.986 5.277 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.714 -4.365 7.074 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.839 -3.277 5.259 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.194 -5.256 6.037 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.744 -5.750 5.130 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.764 -5.860 6.907 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.266 -3.188 7.286 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.864 -3.664 8.273 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.850 -2.115 7.397 1.00 0.00 H new ATOM 701 N SER A 50 0.504 -5.498 5.258 1.00 0.00 N ATOM 702 CA SER A 50 1.136 -6.357 4.280 1.00 0.00 C ATOM 703 C SER A 50 0.227 -7.539 3.937 1.00 0.00 C ATOM 704 O SER A 50 0.082 -8.469 4.744 1.00 0.00 O ATOM 705 CB SER A 50 2.500 -6.796 4.822 1.00 0.00 C ATOM 706 OG SER A 50 2.590 -6.779 6.241 1.00 0.00 O ATOM 0 H SER A 50 0.840 -5.660 6.208 1.00 0.00 H new ATOM 0 HA SER A 50 1.299 -5.818 3.347 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.714 -7.804 4.466 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.270 -6.143 4.411 1.00 0.00 H new ATOM 0 HG SER A 50 3.484 -7.071 6.516 1.00 0.00 H new ATOM 712 N THR A 51 -0.388 -7.517 2.754 1.00 0.00 N ATOM 713 CA THR A 51 -1.056 -8.667 2.156 1.00 0.00 C ATOM 714 C THR A 51 -0.725 -8.652 0.668 1.00 0.00 C ATOM 715 O THR A 51 -1.387 -7.945 -0.089 1.00 0.00 O ATOM 716 CB THR A 51 -2.580 -8.633 2.395 1.00 0.00 C ATOM 717 OG1 THR A 51 -2.871 -8.326 3.743 1.00 0.00 O ATOM 718 CG2 THR A 51 -3.233 -9.978 2.041 1.00 0.00 C ATOM 0 H THR A 51 -0.435 -6.679 2.174 1.00 0.00 H new ATOM 0 HA THR A 51 -0.705 -9.590 2.618 1.00 0.00 H new ATOM 0 HB THR A 51 -2.987 -7.857 1.746 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.830 -8.151 3.839 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.306 -9.920 2.221 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.053 -10.204 0.990 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.803 -10.765 2.661 1.00 0.00 H new ATOM 726 N VAL A 52 0.280 -9.425 0.240 1.00 0.00 N ATOM 727 CA VAL A 52 0.583 -9.555 -1.181 1.00 0.00 C ATOM 728 C VAL A 52 -0.690 -9.980 -1.920 1.00 0.00 C ATOM 729 O VAL A 52 -1.364 -10.930 -1.503 1.00 0.00 O ATOM 730 CB VAL A 52 1.797 -10.471 -1.425 1.00 0.00 C ATOM 731 CG1 VAL A 52 1.619 -11.908 -0.948 1.00 0.00 C ATOM 732 CG2 VAL A 52 2.205 -10.483 -2.903 1.00 0.00 C ATOM 0 H VAL A 52 0.890 -9.964 0.855 1.00 0.00 H new ATOM 0 HA VAL A 52 0.891 -8.593 -1.591 1.00 0.00 H new ATOM 0 HB VAL A 52 2.587 -10.031 -0.816 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.524 -12.477 -1.162 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.432 -11.914 0.126 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.774 -12.361 -1.466 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.065 -11.140 -3.038 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.373 -10.845 -3.507 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.468 -9.473 -3.216 1.00 0.00 H new ATOM 742 N TYR A 53 -1.059 -9.229 -2.953 1.00 0.00 N ATOM 743 CA TYR A 53 -2.254 -9.497 -3.733 1.00 0.00 C ATOM 744 C TYR A 53 -1.956 -10.521 -4.830 1.00 0.00 C ATOM 745 O TYR A 53 -0.832 -10.589 -5.336 1.00 0.00 O ATOM 746 CB TYR A 53 -2.789 -8.181 -4.303 1.00 0.00 C ATOM 747 CG TYR A 53 -3.882 -8.377 -5.324 1.00 0.00 C ATOM 748 CD1 TYR A 53 -5.063 -9.067 -4.987 1.00 0.00 C ATOM 749 CD2 TYR A 53 -3.656 -7.970 -6.647 1.00 0.00 C ATOM 750 CE1 TYR A 53 -6.008 -9.370 -5.980 1.00 0.00 C ATOM 751 CE2 TYR A 53 -4.616 -8.230 -7.631 1.00 0.00 C ATOM 752 CZ TYR A 53 -5.786 -8.940 -7.305 1.00 0.00 C ATOM 753 OH TYR A 53 -6.674 -9.246 -8.279 1.00 0.00 O ATOM 0 H TYR A 53 -0.533 -8.415 -3.271 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.025 -9.930 -3.096 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.169 -7.567 -3.487 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.967 -7.630 -4.761 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -5.242 -9.363 -3.964 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -2.742 -7.456 -6.906 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.898 -9.928 -5.731 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.459 -7.885 -8.642 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.199 -9.629 -9.046 1.00 0.00 H new ATOM 763 N ASN A 54 -2.986 -11.290 -5.197 1.00 0.00 N ATOM 764 CA ASN A 54 -2.955 -12.354 -6.203 1.00 0.00 C ATOM 765 C ASN A 54 -3.940 -12.010 -7.326 1.00 0.00 C ATOM 766 O ASN A 54 -3.651 -11.164 -8.173 1.00 0.00 O ATOM 767 CB ASN A 54 -3.286 -13.705 -5.544 1.00 0.00 C ATOM 768 CG ASN A 54 -2.308 -14.136 -4.464 1.00 0.00 C ATOM 769 OD1 ASN A 54 -1.124 -13.814 -4.491 1.00 0.00 O ATOM 770 ND2 ASN A 54 -2.809 -14.845 -3.471 1.00 0.00 N ATOM 0 H ASN A 54 -3.910 -11.181 -4.779 1.00 0.00 H new ATOM 0 HA ASN A 54 -1.958 -12.437 -6.637 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -4.285 -13.648 -5.111 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -3.317 -14.474 -6.316 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -2.209 -15.139 -2.701 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.797 -15.099 -3.473 1.00 0.00 H new ATOM 777 N GLY A 55 -5.142 -12.598 -7.306 1.00 0.00 N ATOM 778 CA GLY A 55 -6.239 -12.300 -8.221 1.00 0.00 C ATOM 779 C GLY A 55 -7.006 -13.531 -8.660 1.00 0.00 C ATOM 780 O GLY A 55 -8.190 -13.425 -8.967 1.00 0.00 O ATOM 0 H GLY A 55 -5.381 -13.320 -6.626 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.926 -11.605 -7.739 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.841 -11.795 -9.101 1.00 0.00 H new ATOM 784 N GLU A 56 -6.382 -14.701 -8.595 1.00 0.00 N ATOM 785 CA GLU A 56 -7.064 -15.985 -8.668 1.00 0.00 C ATOM 786 C GLU A 56 -8.127 -16.053 -7.570 1.00 0.00 C ATOM 787 O GLU A 56 -9.308 -16.313 -7.798 1.00 0.00 O ATOM 788 CB GLU A 56 -5.989 -17.059 -8.481 1.00 0.00 C ATOM 789 CG GLU A 56 -6.551 -18.448 -8.150 1.00 0.00 C ATOM 790 CD GLU A 56 -5.481 -19.533 -8.214 1.00 0.00 C ATOM 791 OE1 GLU A 56 -4.293 -19.227 -8.460 1.00 0.00 O ATOM 792 OE2 GLU A 56 -5.831 -20.715 -8.011 1.00 0.00 O ATOM 0 H GLU A 56 -5.371 -14.784 -8.488 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.573 -16.131 -9.621 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.394 -17.126 -9.392 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.315 -16.750 -7.682 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.990 -18.432 -7.153 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.353 -18.689 -8.848 1.00 0.00 H new ATOM 799 N ASP A 57 -7.684 -15.807 -6.348 1.00 0.00 N ATOM 800 CA ASP A 57 -8.415 -15.929 -5.108 1.00 0.00 C ATOM 801 C ASP A 57 -8.873 -14.541 -4.679 1.00 0.00 C ATOM 802 O ASP A 57 -8.506 -14.077 -3.612 1.00 0.00 O ATOM 803 CB ASP A 57 -7.532 -16.658 -4.071 1.00 0.00 C ATOM 804 CG ASP A 57 -6.155 -16.019 -3.809 1.00 0.00 C ATOM 805 OD1 ASP A 57 -5.408 -15.770 -4.785 1.00 0.00 O ATOM 806 OD2 ASP A 57 -5.721 -15.888 -2.641 1.00 0.00 O ATOM 0 H ASP A 57 -6.727 -15.492 -6.191 1.00 0.00 H new ATOM 0 HA ASP A 57 -9.314 -16.535 -5.217 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -8.076 -16.708 -3.128 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.380 -17.684 -4.406 1.00 0.00 H new ATOM 811 N LYS A 58 -9.708 -13.875 -5.492 1.00 0.00 N ATOM 812 CA LYS A 58 -10.322 -12.580 -5.148 1.00 0.00 C ATOM 813 C LYS A 58 -10.902 -12.560 -3.718 1.00 0.00 C ATOM 814 O LYS A 58 -10.381 -11.817 -2.881 1.00 0.00 O ATOM 815 CB LYS A 58 -11.358 -12.126 -6.202 1.00 0.00 C ATOM 816 CG LYS A 58 -10.792 -11.604 -7.526 1.00 0.00 C ATOM 817 CD LYS A 58 -10.161 -10.209 -7.418 1.00 0.00 C ATOM 818 CE LYS A 58 -9.563 -9.718 -8.742 1.00 0.00 C ATOM 819 NZ LYS A 58 -10.565 -9.465 -9.797 1.00 0.00 N ATOM 0 H LYS A 58 -9.979 -14.221 -6.413 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.515 -11.847 -5.163 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.017 -12.967 -6.419 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -11.975 -11.343 -5.761 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -10.042 -12.305 -7.892 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -11.591 -11.576 -8.267 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.917 -9.499 -7.082 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.380 -10.227 -6.658 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.004 -8.800 -8.558 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.849 -10.459 -9.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.086 -9.137 -10.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -11.083 -10.343 -10.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.233 -8.736 -9.474 1.00 0.00 H new ATOM 833 N PRO A 59 -11.931 -13.366 -3.392 1.00 0.00 N ATOM 834 CA PRO A 59 -12.476 -13.420 -2.042 1.00 0.00 C ATOM 835 C PRO A 59 -11.433 -13.957 -1.063 1.00 0.00 C ATOM 836 O PRO A 59 -11.272 -13.432 0.039 1.00 0.00 O ATOM 837 CB PRO A 59 -13.712 -14.319 -2.128 1.00 0.00 C ATOM 838 CG PRO A 59 -13.443 -15.207 -3.341 1.00 0.00 C ATOM 839 CD PRO A 59 -12.635 -14.294 -4.259 1.00 0.00 C ATOM 0 HA PRO A 59 -12.749 -12.433 -1.668 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -13.839 -14.910 -1.221 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -14.622 -13.734 -2.256 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -12.885 -16.103 -3.070 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -14.368 -15.538 -3.813 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.934 -14.871 -4.862 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -13.288 -13.761 -4.951 1.00 0.00 H new ATOM 847 N GLY A 60 -10.678 -14.972 -1.485 1.00 0.00 N ATOM 848 CA GLY A 60 -9.676 -15.639 -0.676 1.00 0.00 C ATOM 849 C GLY A 60 -8.419 -14.826 -0.404 1.00 0.00 C ATOM 850 O GLY A 60 -7.542 -15.355 0.269 1.00 0.00 O ATOM 0 H GLY A 60 -10.754 -15.358 -2.426 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -10.126 -15.913 0.278 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.390 -16.566 -1.172 1.00 0.00 H new ATOM 854 N PHE A 61 -8.345 -13.570 -0.844 1.00 0.00 N ATOM 855 CA PHE A 61 -7.287 -12.614 -0.559 1.00 0.00 C ATOM 856 C PHE A 61 -7.746 -11.630 0.517 1.00 0.00 C ATOM 857 O PHE A 61 -6.944 -11.233 1.370 1.00 0.00 O ATOM 858 CB PHE A 61 -6.911 -11.900 -1.868 1.00 0.00 C ATOM 859 CG PHE A 61 -6.407 -10.484 -1.701 1.00 0.00 C ATOM 860 CD1 PHE A 61 -5.070 -10.244 -1.338 1.00 0.00 C ATOM 861 CD2 PHE A 61 -7.292 -9.404 -1.893 1.00 0.00 C ATOM 862 CE1 PHE A 61 -4.612 -8.921 -1.212 1.00 0.00 C ATOM 863 CE2 PHE A 61 -6.838 -8.083 -1.745 1.00 0.00 C ATOM 864 CZ PHE A 61 -5.487 -7.845 -1.433 1.00 0.00 C ATOM 0 H PHE A 61 -9.068 -13.174 -1.445 1.00 0.00 H new ATOM 0 HA PHE A 61 -6.404 -13.122 -0.172 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -6.144 -12.485 -2.376 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -7.785 -11.884 -2.520 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.399 -11.071 -1.157 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -8.323 -9.593 -2.155 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.583 -8.731 -0.944 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -7.521 -7.256 -1.870 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.121 -6.831 -1.363 1.00 0.00 H new ATOM 874 N LEU A 62 -9.036 -11.276 0.523 1.00 0.00 N ATOM 875 CA LEU A 62 -9.638 -10.322 1.453 1.00 0.00 C ATOM 876 C LEU A 62 -9.577 -10.795 2.912 1.00 0.00 C ATOM 877 O LEU A 62 -9.851 -10.006 3.816 1.00 0.00 O ATOM 878 CB LEU A 62 -11.089 -10.019 1.027 1.00 0.00 C ATOM 879 CG LEU A 62 -11.195 -9.193 -0.274 1.00 0.00 C ATOM 880 CD1 LEU A 62 -12.587 -9.314 -0.887 1.00 0.00 C ATOM 881 CD2 LEU A 62 -10.924 -7.702 -0.043 1.00 0.00 C ATOM 0 H LEU A 62 -9.708 -11.659 -0.141 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.051 -9.405 1.407 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -11.623 -10.960 0.894 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.589 -9.479 1.831 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.438 -9.600 -0.945 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -12.634 -8.723 -1.802 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -12.793 -10.359 -1.119 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -13.330 -8.947 -0.179 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -11.011 -7.166 -0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.650 -7.306 0.667 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.918 -7.573 0.357 1.00 0.00 H new ATOM 893 N LYS A 63 -9.162 -12.040 3.173 1.00 0.00 N ATOM 894 CA LYS A 63 -9.132 -12.671 4.484 1.00 0.00 C ATOM 895 C LYS A 63 -8.227 -11.949 5.450 1.00 0.00 C ATOM 896 O LYS A 63 -8.396 -12.098 6.660 1.00 0.00 O ATOM 897 CB LYS A 63 -8.785 -14.170 4.416 1.00 0.00 C ATOM 898 CG LYS A 63 -7.798 -14.620 3.331 1.00 0.00 C ATOM 899 CD LYS A 63 -6.436 -13.924 3.387 1.00 0.00 C ATOM 900 CE LYS A 63 -5.419 -14.606 2.458 1.00 0.00 C ATOM 901 NZ LYS A 63 -4.433 -13.683 1.859 1.00 0.00 N ATOM 0 H LYS A 63 -8.823 -12.659 2.436 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.149 -12.594 4.869 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -8.379 -14.466 5.383 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -9.713 -14.724 4.277 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.646 -15.696 3.419 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.245 -14.440 2.353 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.548 -12.878 3.101 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.061 -13.936 4.411 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.887 -15.373 3.021 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.958 -15.114 1.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.871 -14.190 1.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.930 -12.889 1.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.802 -13.319 2.602 1.00 0.00 H new ATOM 915 N LYS A 64 -7.272 -11.173 4.941 1.00 0.00 N ATOM 916 CA LYS A 64 -6.429 -10.381 5.801 1.00 0.00 C ATOM 917 C LYS A 64 -7.031 -9.032 6.123 1.00 0.00 C ATOM 918 O LYS A 64 -6.607 -8.435 7.102 1.00 0.00 O ATOM 919 CB LYS A 64 -5.043 -10.191 5.180 1.00 0.00 C ATOM 920 CG LYS A 64 -4.095 -11.357 5.498 1.00 0.00 C ATOM 921 CD LYS A 64 -2.811 -10.830 6.157 1.00 0.00 C ATOM 922 CE LYS A 64 -1.995 -11.974 6.749 1.00 0.00 C ATOM 923 NZ LYS A 64 -0.807 -11.514 7.503 1.00 0.00 N ATOM 0 H LYS A 64 -7.072 -11.083 3.945 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.337 -10.934 6.736 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.143 -10.091 4.099 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.608 -9.262 5.547 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.589 -12.066 6.162 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -3.849 -11.895 4.583 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.213 -10.294 5.420 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -3.066 -10.116 6.940 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.632 -12.562 7.410 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.673 -12.636 5.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.295 -12.337 7.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.181 -10.977 6.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.110 -10.905 8.290 1.00 0.00 H new ATOM 937 N LEU A 65 -7.935 -8.505 5.302 1.00 0.00 N ATOM 938 CA LEU A 65 -8.374 -7.129 5.446 1.00 0.00 C ATOM 939 C LEU A 65 -9.379 -7.016 6.581 1.00 0.00 C ATOM 940 O LEU A 65 -9.241 -6.120 7.403 1.00 0.00 O ATOM 941 CB LEU A 65 -8.927 -6.579 4.119 1.00 0.00 C ATOM 942 CG LEU A 65 -7.810 -6.148 3.140 1.00 0.00 C ATOM 943 CD1 LEU A 65 -7.268 -7.275 2.256 1.00 0.00 C ATOM 944 CD2 LEU A 65 -8.313 -5.002 2.258 1.00 0.00 C ATOM 0 H LEU A 65 -8.374 -9.012 4.534 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.514 -6.511 5.703 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.546 -7.340 3.645 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.573 -5.726 4.325 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.975 -5.829 3.764 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.490 -6.882 1.602 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.851 -8.062 2.885 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.077 -7.684 1.651 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.524 -4.700 1.569 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.183 -5.334 1.691 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.591 -4.155 2.885 1.00 0.00 H new ATOM 956 N SER A 66 -10.357 -7.911 6.676 1.00 0.00 N ATOM 957 CA SER A 66 -11.499 -7.714 7.568 1.00 0.00 C ATOM 958 C SER A 66 -11.162 -7.669 9.072 1.00 0.00 C ATOM 959 O SER A 66 -12.014 -7.291 9.869 1.00 0.00 O ATOM 960 CB SER A 66 -12.535 -8.796 7.267 1.00 0.00 C ATOM 961 OG SER A 66 -13.785 -8.180 7.000 1.00 0.00 O ATOM 0 H SER A 66 -10.383 -8.782 6.146 1.00 0.00 H new ATOM 0 HA SER A 66 -11.892 -6.719 7.362 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.219 -9.392 6.411 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.624 -9.477 8.113 1.00 0.00 H new ATOM 0 HG SER A 66 -14.454 -8.869 6.804 1.00 0.00 H new ATOM 967 N LEU A 67 -9.935 -8.012 9.467 1.00 0.00 N ATOM 968 CA LEU A 67 -9.441 -7.947 10.841 1.00 0.00 C ATOM 969 C LEU A 67 -8.242 -7.003 10.982 1.00 0.00 C ATOM 970 O LEU A 67 -7.587 -7.007 12.023 1.00 0.00 O ATOM 971 CB LEU A 67 -9.149 -9.360 11.380 1.00 0.00 C ATOM 972 CG LEU A 67 -7.921 -10.082 10.791 1.00 0.00 C ATOM 973 CD1 LEU A 67 -7.612 -11.320 11.630 1.00 0.00 C ATOM 974 CD2 LEU A 67 -8.131 -10.529 9.336 1.00 0.00 C ATOM 0 H LEU A 67 -9.232 -8.356 8.813 1.00 0.00 H new ATOM 0 HA LEU A 67 -10.229 -7.517 11.460 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -9.019 -9.293 12.460 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.027 -9.981 11.202 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.097 -9.368 10.808 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.744 -11.833 11.216 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -7.401 -11.020 12.657 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -8.470 -11.992 11.617 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.233 -11.031 8.976 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -8.976 -11.216 9.285 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.334 -9.658 8.713 1.00 0.00 H new ATOM 986 N LYS A 68 -7.909 -6.235 9.941 1.00 0.00 N ATOM 987 CA LYS A 68 -6.760 -5.334 9.874 1.00 0.00 C ATOM 988 C LYS A 68 -7.145 -3.857 9.921 1.00 0.00 C ATOM 989 O LYS A 68 -6.248 -3.005 9.967 1.00 0.00 O ATOM 990 CB LYS A 68 -5.994 -5.640 8.585 1.00 0.00 C ATOM 991 CG LYS A 68 -4.743 -6.512 8.769 1.00 0.00 C ATOM 992 CD LYS A 68 -4.853 -7.725 9.705 1.00 0.00 C ATOM 993 CE LYS A 68 -3.590 -8.567 9.501 1.00 0.00 C ATOM 994 NZ LYS A 68 -3.432 -9.662 10.480 1.00 0.00 N ATOM 0 H LYS A 68 -8.460 -6.226 9.083 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.142 -5.507 10.755 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.668 -6.139 7.889 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -5.698 -4.698 8.123 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.437 -6.872 7.787 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.940 -5.874 9.139 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.938 -7.404 10.743 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.745 -8.308 9.477 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.607 -8.991 8.497 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.718 -7.915 9.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.556 -10.185 10.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.384 -9.265 11.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.245 -10.308 10.413 1.00 0.00 H new ATOM 1008 N PHE A 69 -8.437 -3.562 9.885 1.00 0.00 N ATOM 1009 CA PHE A 69 -9.024 -2.232 9.914 1.00 0.00 C ATOM 1010 C PHE A 69 -10.250 -2.327 10.799 1.00 0.00 C ATOM 1011 O PHE A 69 -11.032 -3.267 10.648 1.00 0.00 O ATOM 1012 CB PHE A 69 -9.452 -1.827 8.500 1.00 0.00 C ATOM 1013 CG PHE A 69 -8.380 -2.033 7.470 1.00 0.00 C ATOM 1014 CD1 PHE A 69 -7.297 -1.153 7.339 1.00 0.00 C ATOM 1015 CD2 PHE A 69 -8.458 -3.171 6.670 1.00 0.00 C ATOM 1016 CE1 PHE A 69 -6.362 -1.354 6.308 1.00 0.00 C ATOM 1017 CE2 PHE A 69 -7.537 -3.376 5.649 1.00 0.00 C ATOM 1018 CZ PHE A 69 -6.530 -2.434 5.426 1.00 0.00 C ATOM 0 H PHE A 69 -9.147 -4.292 9.831 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.314 -1.493 10.286 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -10.333 -2.403 8.216 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -9.745 -0.777 8.504 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -7.181 -0.327 8.025 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -9.238 -3.898 6.844 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -5.522 -0.684 6.195 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -7.600 -4.260 5.031 1.00 0.00 H new ATOM 0 HZ PHE A 69 -5.878 -2.537 4.571 1.00 0.00 H new ATOM 1028 N LYS A 70 -10.419 -1.369 11.708 1.00 0.00 N ATOM 1029 CA LYS A 70 -11.554 -1.381 12.612 1.00 0.00 C ATOM 1030 C LYS A 70 -12.832 -1.087 11.838 1.00 0.00 C ATOM 1031 O LYS A 70 -13.768 -1.875 11.872 1.00 0.00 O ATOM 1032 CB LYS A 70 -11.310 -0.377 13.745 1.00 0.00 C ATOM 1033 CG LYS A 70 -12.309 -0.587 14.890 1.00 0.00 C ATOM 1034 CD LYS A 70 -12.806 0.739 15.469 1.00 0.00 C ATOM 1035 CE LYS A 70 -13.863 1.382 14.572 1.00 0.00 C ATOM 1036 NZ LYS A 70 -15.099 0.577 14.484 1.00 0.00 N ATOM 0 H LYS A 70 -9.784 -0.580 11.834 1.00 0.00 H new ATOM 0 HA LYS A 70 -11.671 -2.366 13.064 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.293 -0.487 14.120 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.400 0.639 13.361 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -13.159 -1.165 14.528 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.838 -1.173 15.679 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.224 0.570 16.461 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -11.965 1.422 15.589 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.106 2.373 14.956 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -13.451 1.519 13.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.884 1.180 14.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.960 -0.199 13.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.324 0.182 15.420 1.00 0.00 H new ATOM 1050 N ASP A 71 -12.857 0.039 11.138 1.00 0.00 N ATOM 1051 CA ASP A 71 -13.923 0.682 10.437 1.00 0.00 C ATOM 1052 C ASP A 71 -13.650 0.678 8.934 1.00 0.00 C ATOM 1053 O ASP A 71 -13.343 1.721 8.350 1.00 0.00 O ATOM 1054 CB ASP A 71 -14.007 2.099 11.011 1.00 0.00 C ATOM 1055 CG ASP A 71 -12.715 2.934 11.058 1.00 0.00 C ATOM 1056 OD1 ASP A 71 -11.603 2.406 10.820 1.00 0.00 O ATOM 1057 OD2 ASP A 71 -12.793 4.120 11.443 1.00 0.00 O ATOM 0 H ASP A 71 -12.001 0.586 11.047 1.00 0.00 H new ATOM 0 HA ASP A 71 -14.874 0.165 10.566 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -14.742 2.653 10.428 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -14.395 2.026 12.027 1.00 0.00 H new ATOM 1062 N PRO A 72 -13.740 -0.484 8.264 1.00 0.00 N ATOM 1063 CA PRO A 72 -13.522 -0.564 6.829 1.00 0.00 C ATOM 1064 C PRO A 72 -14.586 0.232 6.068 1.00 0.00 C ATOM 1065 O PRO A 72 -14.308 0.737 4.979 1.00 0.00 O ATOM 1066 CB PRO A 72 -13.555 -2.056 6.504 1.00 0.00 C ATOM 1067 CG PRO A 72 -14.478 -2.623 7.559 1.00 0.00 C ATOM 1068 CD PRO A 72 -14.105 -1.791 8.789 1.00 0.00 C ATOM 0 HA PRO A 72 -12.572 -0.123 6.525 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -13.933 -2.240 5.498 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -12.562 -2.501 6.558 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.527 -2.505 7.289 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -14.308 -3.688 7.720 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -14.941 -1.717 9.484 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.276 -2.243 9.334 1.00 0.00 H new ATOM 1076 N GLU A 73 -15.781 0.384 6.648 1.00 0.00 N ATOM 1077 CA GLU A 73 -16.930 0.974 5.996 1.00 0.00 C ATOM 1078 C GLU A 73 -16.777 2.476 5.734 1.00 0.00 C ATOM 1079 O GLU A 73 -17.555 3.008 4.946 1.00 0.00 O ATOM 1080 CB GLU A 73 -18.198 0.643 6.797 1.00 0.00 C ATOM 1081 CG GLU A 73 -18.375 1.355 8.148 1.00 0.00 C ATOM 1082 CD GLU A 73 -17.477 0.909 9.301 1.00 0.00 C ATOM 1083 OE1 GLU A 73 -16.901 -0.199 9.239 1.00 0.00 O ATOM 1084 OE2 GLU A 73 -17.401 1.666 10.300 1.00 0.00 O ATOM 0 H GLU A 73 -15.969 0.090 7.606 1.00 0.00 H new ATOM 0 HA GLU A 73 -17.015 0.532 5.003 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -19.062 0.876 6.175 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -18.215 -0.432 6.976 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -18.215 2.422 7.990 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -19.412 1.231 8.461 1.00 0.00 H new ATOM 1091 N ASN A 74 -15.779 3.145 6.329 1.00 0.00 N ATOM 1092 CA ASN A 74 -15.419 4.537 6.025 1.00 0.00 C ATOM 1093 C ASN A 74 -13.908 4.729 5.864 1.00 0.00 C ATOM 1094 O ASN A 74 -13.461 5.845 5.608 1.00 0.00 O ATOM 1095 CB ASN A 74 -15.994 5.505 7.072 1.00 0.00 C ATOM 1096 CG ASN A 74 -17.486 5.703 6.859 1.00 0.00 C ATOM 1097 OD1 ASN A 74 -17.900 6.314 5.877 1.00 0.00 O ATOM 1098 ND2 ASN A 74 -18.318 5.173 7.734 1.00 0.00 N ATOM 0 H ASN A 74 -15.189 2.726 7.048 1.00 0.00 H new ATOM 0 HA ASN A 74 -15.871 4.774 5.062 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.813 5.114 8.073 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -15.482 6.465 7.007 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -19.325 5.267 7.602 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -17.955 4.669 8.543 1.00 0.00 H new ATOM 1105 N THR A 75 -13.102 3.678 6.007 1.00 0.00 N ATOM 1106 CA THR A 75 -11.665 3.737 5.797 1.00 0.00 C ATOM 1107 C THR A 75 -11.361 3.978 4.309 1.00 0.00 C ATOM 1108 O THR A 75 -11.784 3.181 3.468 1.00 0.00 O ATOM 1109 CB THR A 75 -11.059 2.431 6.341 1.00 0.00 C ATOM 1110 OG1 THR A 75 -10.892 2.532 7.734 1.00 0.00 O ATOM 1111 CG2 THR A 75 -9.696 2.079 5.745 1.00 0.00 C ATOM 0 H THR A 75 -13.437 2.753 6.275 1.00 0.00 H new ATOM 0 HA THR A 75 -11.212 4.572 6.332 1.00 0.00 H new ATOM 0 HB THR A 75 -11.761 1.646 6.060 1.00 0.00 H new ATOM 0 HG1 THR A 75 -11.616 2.050 8.186 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.339 1.146 6.180 1.00 0.00 H new ATOM 0 HG22 THR A 75 -9.790 1.963 4.665 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.986 2.877 5.964 1.00 0.00 H new ATOM 1119 N THR A 76 -10.618 5.041 3.978 1.00 0.00 N ATOM 1120 CA THR A 76 -10.138 5.298 2.617 1.00 0.00 C ATOM 1121 C THR A 76 -8.825 4.527 2.420 1.00 0.00 C ATOM 1122 O THR A 76 -7.790 4.925 2.957 1.00 0.00 O ATOM 1123 CB THR A 76 -9.929 6.806 2.349 1.00 0.00 C ATOM 1124 OG1 THR A 76 -10.873 7.632 3.005 1.00 0.00 O ATOM 1125 CG2 THR A 76 -9.985 7.115 0.850 1.00 0.00 C ATOM 0 H THR A 76 -10.332 5.751 4.652 1.00 0.00 H new ATOM 0 HA THR A 76 -10.891 4.960 1.905 1.00 0.00 H new ATOM 0 HB THR A 76 -8.941 7.030 2.752 1.00 0.00 H new ATOM 0 HG1 THR A 76 -10.686 8.571 2.797 1.00 0.00 H new ATOM 0 HG21 THR A 76 -9.835 8.183 0.693 1.00 0.00 H new ATOM 0 HG22 THR A 76 -9.202 6.559 0.334 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.958 6.823 0.455 1.00 0.00 H new ATOM 1133 N LEU A 77 -8.832 3.374 1.753 1.00 0.00 N ATOM 1134 CA LEU A 77 -7.600 2.586 1.634 1.00 0.00 C ATOM 1135 C LEU A 77 -6.745 3.108 0.478 1.00 0.00 C ATOM 1136 O LEU A 77 -7.283 3.490 -0.553 1.00 0.00 O ATOM 1137 CB LEU A 77 -7.930 1.099 1.429 1.00 0.00 C ATOM 1138 CG LEU A 77 -7.363 0.151 2.502 1.00 0.00 C ATOM 1139 CD1 LEU A 77 -7.665 -1.308 2.141 1.00 0.00 C ATOM 1140 CD2 LEU A 77 -5.847 0.315 2.625 1.00 0.00 C ATOM 0 H LEU A 77 -9.651 2.971 1.297 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.033 2.688 2.559 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.014 0.984 1.400 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.550 0.789 0.455 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.837 0.406 3.450 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.257 -1.965 2.910 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.744 -1.451 2.076 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.209 -1.547 1.180 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.468 -0.364 3.389 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.377 0.084 1.669 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.614 1.342 2.905 1.00 0.00 H new ATOM 1152 N TYR A 78 -5.421 3.025 0.585 1.00 0.00 N ATOM 1153 CA TYR A 78 -4.486 3.405 -0.467 1.00 0.00 C ATOM 1154 C TYR A 78 -3.545 2.219 -0.673 1.00 0.00 C ATOM 1155 O TYR A 78 -2.715 1.913 0.188 1.00 0.00 O ATOM 1156 CB TYR A 78 -3.750 4.710 -0.105 1.00 0.00 C ATOM 1157 CG TYR A 78 -4.613 5.966 -0.091 1.00 0.00 C ATOM 1158 CD1 TYR A 78 -5.474 6.236 0.990 1.00 0.00 C ATOM 1159 CD2 TYR A 78 -4.568 6.870 -1.171 1.00 0.00 C ATOM 1160 CE1 TYR A 78 -6.312 7.366 0.969 1.00 0.00 C ATOM 1161 CE2 TYR A 78 -5.400 8.004 -1.200 1.00 0.00 C ATOM 1162 CZ TYR A 78 -6.296 8.244 -0.137 1.00 0.00 C ATOM 1163 OH TYR A 78 -7.156 9.300 -0.173 1.00 0.00 O ATOM 0 H TYR A 78 -4.959 2.683 1.427 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.001 3.622 -1.403 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.297 4.590 0.879 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.936 4.857 -0.815 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -5.491 5.571 1.841 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -3.885 6.690 -1.988 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -6.970 7.563 1.802 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -5.353 8.689 -2.034 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.017 9.807 -1.000 1.00 0.00 H new ATOM 1173 N ILE A 79 -3.717 1.482 -1.767 1.00 0.00 N ATOM 1174 CA ILE A 79 -2.907 0.313 -2.093 1.00 0.00 C ATOM 1175 C ILE A 79 -1.512 0.762 -2.508 1.00 0.00 C ATOM 1176 O ILE A 79 -1.384 1.813 -3.131 1.00 0.00 O ATOM 1177 CB ILE A 79 -3.596 -0.483 -3.218 1.00 0.00 C ATOM 1178 CG1 ILE A 79 -4.888 -1.114 -2.648 1.00 0.00 C ATOM 1179 CG2 ILE A 79 -2.720 -1.621 -3.769 1.00 0.00 C ATOM 1180 CD1 ILE A 79 -6.149 -0.298 -2.905 1.00 0.00 C ATOM 0 H ILE A 79 -4.435 1.684 -2.463 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.810 -0.335 -1.222 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.796 0.212 -4.033 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.016 -2.106 -3.082 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -4.769 -1.249 -1.573 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.259 -2.145 -4.558 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.797 -1.206 -4.174 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.483 -2.319 -2.966 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.008 -0.811 -2.473 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.045 0.686 -2.447 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.296 -0.185 -3.979 1.00 0.00 H new ATOM 1192 N LEU A 80 -0.481 -0.041 -2.248 1.00 0.00 N ATOM 1193 CA LEU A 80 0.900 0.227 -2.635 1.00 0.00 C ATOM 1194 C LEU A 80 1.482 -1.060 -3.233 1.00 0.00 C ATOM 1195 O LEU A 80 1.599 -2.058 -2.523 1.00 0.00 O ATOM 1196 CB LEU A 80 1.674 0.725 -1.398 1.00 0.00 C ATOM 1197 CG LEU A 80 2.750 1.788 -1.683 1.00 0.00 C ATOM 1198 CD1 LEU A 80 3.585 2.007 -0.417 1.00 0.00 C ATOM 1199 CD2 LEU A 80 3.701 1.414 -2.810 1.00 0.00 C ATOM 0 H LEU A 80 -0.589 -0.923 -1.747 1.00 0.00 H new ATOM 0 HA LEU A 80 0.973 1.008 -3.392 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.960 1.136 -0.684 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.149 -0.130 -0.918 1.00 0.00 H new ATOM 0 HG LEU A 80 2.216 2.687 -1.990 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.350 2.759 -0.611 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.938 2.348 0.391 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.062 1.070 -0.129 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.430 2.212 -2.951 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.220 0.489 -2.557 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.136 1.272 -3.731 1.00 0.00 H new ATOM 1211 N ASP A 81 1.761 -1.078 -4.541 1.00 0.00 N ATOM 1212 CA ASP A 81 2.498 -2.163 -5.212 1.00 0.00 C ATOM 1213 C ASP A 81 3.986 -1.812 -5.284 1.00 0.00 C ATOM 1214 O ASP A 81 4.399 -0.702 -4.948 1.00 0.00 O ATOM 1215 CB ASP A 81 1.942 -2.416 -6.631 1.00 0.00 C ATOM 1216 CG ASP A 81 2.693 -3.543 -7.347 1.00 0.00 C ATOM 1217 OD1 ASP A 81 2.772 -4.650 -6.768 1.00 0.00 O ATOM 1218 OD2 ASP A 81 3.344 -3.256 -8.375 1.00 0.00 O ATOM 0 H ASP A 81 1.479 -0.331 -5.175 1.00 0.00 H new ATOM 0 HA ASP A 81 2.370 -3.076 -4.631 1.00 0.00 H new ATOM 0 HB2 ASP A 81 0.884 -2.669 -6.566 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.016 -1.501 -7.218 1.00 0.00 H new ATOM 1223 N LYS A 82 4.816 -2.758 -5.717 1.00 0.00 N ATOM 1224 CA LYS A 82 6.214 -2.534 -6.029 1.00 0.00 C ATOM 1225 C LYS A 82 6.304 -1.446 -7.070 1.00 0.00 C ATOM 1226 O LYS A 82 7.083 -0.532 -6.851 1.00 0.00 O ATOM 1227 CB LYS A 82 6.864 -3.843 -6.525 1.00 0.00 C ATOM 1228 CG LYS A 82 6.609 -5.051 -5.606 1.00 0.00 C ATOM 1229 CD LYS A 82 7.635 -6.174 -5.747 1.00 0.00 C ATOM 1230 CE LYS A 82 7.669 -6.796 -7.146 1.00 0.00 C ATOM 1231 NZ LYS A 82 6.467 -7.597 -7.447 1.00 0.00 N ATOM 0 H LYS A 82 4.522 -3.724 -5.862 1.00 0.00 H new ATOM 0 HA LYS A 82 6.756 -2.219 -5.137 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.486 -4.070 -7.522 1.00 0.00 H new ATOM 0 HB3 LYS A 82 7.939 -3.691 -6.619 1.00 0.00 H new ATOM 0 HG2 LYS A 82 6.600 -4.710 -4.571 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.618 -5.451 -5.818 1.00 0.00 H new ATOM 0 HD2 LYS A 82 8.624 -5.784 -5.507 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.413 -6.952 -5.017 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.767 -6.004 -7.888 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.553 -7.428 -7.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 6.545 -7.993 -8.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.384 -8.372 -6.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 5.623 -6.992 -7.390 1.00 0.00 H new ATOM 1245 N PHE A 83 5.560 -1.525 -8.169 1.00 0.00 N ATOM 1246 CA PHE A 83 5.912 -0.749 -9.343 1.00 0.00 C ATOM 1247 C PHE A 83 4.704 -0.301 -10.162 1.00 0.00 C ATOM 1248 O PHE A 83 4.693 0.824 -10.656 1.00 0.00 O ATOM 1249 CB PHE A 83 6.879 -1.606 -10.171 1.00 0.00 C ATOM 1250 CG PHE A 83 8.039 -0.825 -10.738 1.00 0.00 C ATOM 1251 CD1 PHE A 83 7.809 0.158 -11.710 1.00 0.00 C ATOM 1252 CD2 PHE A 83 9.346 -1.053 -10.265 1.00 0.00 C ATOM 1253 CE1 PHE A 83 8.876 0.921 -12.202 1.00 0.00 C ATOM 1254 CE2 PHE A 83 10.413 -0.294 -10.769 1.00 0.00 C ATOM 1255 CZ PHE A 83 10.184 0.679 -11.751 1.00 0.00 C ATOM 0 H PHE A 83 4.728 -2.107 -8.267 1.00 0.00 H new ATOM 0 HA PHE A 83 6.383 0.184 -9.032 1.00 0.00 H new ATOM 0 HB2 PHE A 83 7.264 -2.412 -9.546 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.330 -2.072 -10.989 1.00 0.00 H new ATOM 0 HD1 PHE A 83 6.809 0.327 -12.080 1.00 0.00 H new ATOM 0 HD2 PHE A 83 9.526 -1.810 -9.516 1.00 0.00 H new ATOM 0 HE1 PHE A 83 8.692 1.697 -12.930 1.00 0.00 H new ATOM 0 HE2 PHE A 83 11.414 -0.460 -10.399 1.00 0.00 H new ATOM 0 HZ PHE A 83 11.011 1.241 -12.160 1.00 0.00 H new ATOM 1265 N ASP A 84 3.717 -1.173 -10.367 1.00 0.00 N ATOM 1266 CA ASP A 84 2.505 -0.899 -11.133 1.00 0.00 C ATOM 1267 C ASP A 84 1.509 -1.965 -10.673 1.00 0.00 C ATOM 1268 O ASP A 84 0.546 -1.673 -9.947 1.00 0.00 O ATOM 1269 CB ASP A 84 2.741 -0.994 -12.658 1.00 0.00 C ATOM 1270 CG ASP A 84 3.613 0.099 -13.291 1.00 0.00 C ATOM 1271 OD1 ASP A 84 3.164 1.270 -13.412 1.00 0.00 O ATOM 1272 OD2 ASP A 84 4.742 -0.239 -13.710 1.00 0.00 O ATOM 0 H ASP A 84 3.742 -2.121 -9.991 1.00 0.00 H new ATOM 0 HA ASP A 84 2.149 0.117 -10.960 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.198 -1.960 -12.872 1.00 0.00 H new ATOM 0 HB3 ASP A 84 1.770 -0.984 -13.154 1.00 0.00 H new ATOM 1277 N GLY A 85 1.795 -3.214 -11.056 1.00 0.00 N ATOM 1278 CA GLY A 85 1.160 -4.436 -10.607 1.00 0.00 C ATOM 1279 C GLY A 85 -0.321 -4.463 -10.947 1.00 0.00 C ATOM 1280 O GLY A 85 -0.719 -4.814 -12.060 1.00 0.00 O ATOM 0 H GLY A 85 2.531 -3.399 -11.737 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.654 -5.292 -11.067 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.287 -4.536 -9.529 1.00 0.00 H new ATOM 1284 N ASN A 86 -1.137 -4.172 -9.939 1.00 0.00 N ATOM 1285 CA ASN A 86 -2.593 -4.322 -9.925 1.00 0.00 C ATOM 1286 C ASN A 86 -3.207 -3.271 -9.004 1.00 0.00 C ATOM 1287 O ASN A 86 -4.338 -3.456 -8.569 1.00 0.00 O ATOM 1288 CB ASN A 86 -2.961 -5.726 -9.420 1.00 0.00 C ATOM 1289 CG ASN A 86 -2.436 -6.856 -10.292 1.00 0.00 C ATOM 1290 OD1 ASN A 86 -1.441 -7.492 -9.953 1.00 0.00 O ATOM 1291 ND2 ASN A 86 -3.084 -7.173 -11.399 1.00 0.00 N ATOM 0 H ASN A 86 -0.781 -3.803 -9.057 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.980 -4.188 -10.935 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.572 -5.851 -8.409 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.046 -5.805 -9.356 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -2.759 -7.949 -11.976 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -3.910 -6.642 -11.676 1.00 0.00 H new ATOM 1298 N SER A 87 -2.472 -2.221 -8.614 1.00 0.00 N ATOM 1299 CA SER A 87 -2.911 -1.317 -7.553 1.00 0.00 C ATOM 1300 C SER A 87 -4.316 -0.774 -7.813 1.00 0.00 C ATOM 1301 O SER A 87 -5.155 -0.775 -6.916 1.00 0.00 O ATOM 1302 CB SER A 87 -1.918 -0.171 -7.385 1.00 0.00 C ATOM 1303 OG SER A 87 -0.612 -0.676 -7.184 1.00 0.00 O ATOM 0 H SER A 87 -1.569 -1.980 -9.021 1.00 0.00 H new ATOM 0 HA SER A 87 -2.949 -1.891 -6.627 1.00 0.00 H new ATOM 0 HB2 SER A 87 -1.936 0.467 -8.269 1.00 0.00 H new ATOM 0 HB3 SER A 87 -2.209 0.450 -6.538 1.00 0.00 H new ATOM 0 HG SER A 87 -0.211 -0.900 -8.050 1.00 0.00 H new ATOM 1309 N GLU A 88 -4.581 -0.354 -9.050 1.00 0.00 N ATOM 1310 CA GLU A 88 -5.858 0.210 -9.467 1.00 0.00 C ATOM 1311 C GLU A 88 -6.967 -0.856 -9.446 1.00 0.00 C ATOM 1312 O GLU A 88 -8.121 -0.540 -9.161 1.00 0.00 O ATOM 1313 CB GLU A 88 -5.681 0.832 -10.860 1.00 0.00 C ATOM 1314 CG GLU A 88 -4.689 2.014 -10.853 1.00 0.00 C ATOM 1315 CD GLU A 88 -4.357 2.570 -12.244 1.00 0.00 C ATOM 1316 OE1 GLU A 88 -4.320 1.806 -13.236 1.00 0.00 O ATOM 1317 OE2 GLU A 88 -4.063 3.779 -12.348 1.00 0.00 O ATOM 0 H GLU A 88 -3.896 -0.399 -9.805 1.00 0.00 H new ATOM 0 HA GLU A 88 -6.170 0.987 -8.768 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.328 0.069 -11.554 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.648 1.175 -11.228 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.103 2.817 -10.243 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.764 1.694 -10.373 1.00 0.00 H new ATOM 1324 N LEU A 89 -6.658 -2.130 -9.726 1.00 0.00 N ATOM 1325 CA LEU A 89 -7.613 -3.237 -9.597 1.00 0.00 C ATOM 1326 C LEU A 89 -8.018 -3.397 -8.134 1.00 0.00 C ATOM 1327 O LEU A 89 -9.201 -3.485 -7.804 1.00 0.00 O ATOM 1328 CB LEU A 89 -7.016 -4.541 -10.166 1.00 0.00 C ATOM 1329 CG LEU A 89 -7.827 -5.812 -9.851 1.00 0.00 C ATOM 1330 CD1 LEU A 89 -9.250 -5.719 -10.390 1.00 0.00 C ATOM 1331 CD2 LEU A 89 -7.184 -7.048 -10.482 1.00 0.00 C ATOM 0 H LEU A 89 -5.736 -2.421 -10.049 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.507 -3.010 -10.178 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.927 -4.442 -11.248 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -6.007 -4.664 -9.773 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.842 -5.899 -8.765 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.791 -6.634 -10.148 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.756 -4.867 -9.936 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.222 -5.589 -11.472 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.778 -7.930 -10.243 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.140 -6.923 -11.564 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.175 -7.173 -10.090 1.00 0.00 H new ATOM 1343 N VAL A 90 -7.042 -3.426 -7.234 1.00 0.00 N ATOM 1344 CA VAL A 90 -7.330 -3.567 -5.815 1.00 0.00 C ATOM 1345 C VAL A 90 -8.054 -2.302 -5.296 1.00 0.00 C ATOM 1346 O VAL A 90 -8.899 -2.432 -4.408 1.00 0.00 O ATOM 1347 CB VAL A 90 -6.024 -3.915 -5.070 1.00 0.00 C ATOM 1348 CG1 VAL A 90 -6.315 -4.289 -3.612 1.00 0.00 C ATOM 1349 CG2 VAL A 90 -5.260 -5.091 -5.708 1.00 0.00 C ATOM 0 H VAL A 90 -6.050 -3.354 -7.461 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.019 -4.391 -5.627 1.00 0.00 H new ATOM 0 HB VAL A 90 -5.405 -3.020 -5.132 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.381 -4.531 -3.105 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.794 -3.449 -3.109 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -6.978 -5.154 -3.584 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -4.351 -5.286 -5.138 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -5.890 -5.980 -5.702 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -4.997 -4.839 -6.735 1.00 0.00 H new ATOM 1359 N ALA A 91 -7.800 -1.110 -5.866 1.00 0.00 N ATOM 1360 CA ALA A 91 -8.427 0.159 -5.486 1.00 0.00 C ATOM 1361 C ALA A 91 -9.936 0.197 -5.735 1.00 0.00 C ATOM 1362 O ALA A 91 -10.649 0.923 -5.042 1.00 0.00 O ATOM 1363 CB ALA A 91 -7.755 1.310 -6.239 1.00 0.00 C ATOM 0 H ALA A 91 -7.130 -1.005 -6.628 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.286 0.264 -4.410 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.223 2.253 -5.955 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.695 1.340 -5.987 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.868 1.158 -7.312 1.00 0.00 H new ATOM 1369 N GLU A 92 -10.448 -0.582 -6.683 1.00 0.00 N ATOM 1370 CA GLU A 92 -11.890 -0.730 -6.850 1.00 0.00 C ATOM 1371 C GLU A 92 -12.410 -1.861 -5.985 1.00 0.00 C ATOM 1372 O GLU A 92 -13.402 -1.711 -5.273 1.00 0.00 O ATOM 1373 CB GLU A 92 -12.281 -0.811 -8.337 1.00 0.00 C ATOM 1374 CG GLU A 92 -11.556 -1.918 -9.113 1.00 0.00 C ATOM 1375 CD GLU A 92 -11.766 -1.882 -10.622 1.00 0.00 C ATOM 1376 OE1 GLU A 92 -12.617 -1.127 -11.139 1.00 0.00 O ATOM 1377 OE2 GLU A 92 -11.034 -2.613 -11.330 1.00 0.00 O ATOM 0 H GLU A 92 -9.888 -1.119 -7.345 1.00 0.00 H new ATOM 0 HA GLU A 92 -12.393 0.167 -6.489 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -13.356 -0.974 -8.411 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.071 0.148 -8.810 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.488 -1.847 -8.907 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.890 -2.885 -8.737 1.00 0.00 H new ATOM 1384 N LEU A 93 -11.712 -2.988 -6.006 1.00 0.00 N ATOM 1385 CA LEU A 93 -12.248 -4.240 -5.519 1.00 0.00 C ATOM 1386 C LEU A 93 -12.736 -4.162 -4.079 1.00 0.00 C ATOM 1387 O LEU A 93 -13.824 -4.649 -3.776 1.00 0.00 O ATOM 1388 CB LEU A 93 -11.155 -5.287 -5.665 1.00 0.00 C ATOM 1389 CG LEU A 93 -11.643 -6.708 -5.321 1.00 0.00 C ATOM 1390 CD1 LEU A 93 -12.497 -7.289 -6.453 1.00 0.00 C ATOM 1391 CD2 LEU A 93 -10.435 -7.590 -5.031 1.00 0.00 C ATOM 0 H LEU A 93 -10.759 -3.054 -6.362 1.00 0.00 H new ATOM 0 HA LEU A 93 -13.128 -4.501 -6.106 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -10.779 -5.274 -6.688 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -10.319 -5.027 -5.015 1.00 0.00 H new ATOM 0 HG LEU A 93 -12.277 -6.667 -4.435 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -12.827 -8.292 -6.182 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.367 -6.653 -6.616 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -11.906 -7.336 -7.367 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.771 -8.598 -4.786 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.791 -7.625 -5.910 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.878 -7.179 -4.189 1.00 0.00 H new ATOM 1403 N VAL A 94 -11.932 -3.595 -3.185 1.00 0.00 N ATOM 1404 CA VAL A 94 -12.265 -3.528 -1.767 1.00 0.00 C ATOM 1405 C VAL A 94 -13.532 -2.711 -1.511 1.00 0.00 C ATOM 1406 O VAL A 94 -14.343 -3.108 -0.675 1.00 0.00 O ATOM 1407 CB VAL A 94 -11.077 -2.996 -0.961 1.00 0.00 C ATOM 1408 CG1 VAL A 94 -9.942 -4.025 -0.923 1.00 0.00 C ATOM 1409 CG2 VAL A 94 -10.524 -1.662 -1.477 1.00 0.00 C ATOM 0 H VAL A 94 -11.035 -3.171 -3.422 1.00 0.00 H new ATOM 0 HA VAL A 94 -12.478 -4.542 -1.429 1.00 0.00 H new ATOM 0 HB VAL A 94 -11.466 -2.818 0.041 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -9.108 -3.626 -0.345 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -10.299 -4.944 -0.458 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -9.610 -4.238 -1.939 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.685 -1.351 -0.855 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -10.187 -1.782 -2.507 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -11.306 -0.904 -1.437 1.00 0.00 H new ATOM 1419 N ALA A 95 -13.706 -1.587 -2.209 1.00 0.00 N ATOM 1420 CA ALA A 95 -14.886 -0.748 -2.076 1.00 0.00 C ATOM 1421 C ALA A 95 -16.118 -1.551 -2.497 1.00 0.00 C ATOM 1422 O ALA A 95 -17.103 -1.626 -1.765 1.00 0.00 O ATOM 1423 CB ALA A 95 -14.726 0.521 -2.917 1.00 0.00 C ATOM 0 H ALA A 95 -13.026 -1.237 -2.884 1.00 0.00 H new ATOM 0 HA ALA A 95 -15.011 -0.439 -1.038 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -15.615 1.143 -2.811 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -13.852 1.076 -2.576 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -14.597 0.249 -3.965 1.00 0.00 H new ATOM 1429 N LEU A 96 -16.020 -2.241 -3.636 1.00 0.00 N ATOM 1430 CA LEU A 96 -17.042 -3.155 -4.148 1.00 0.00 C ATOM 1431 C LEU A 96 -17.246 -4.387 -3.239 1.00 0.00 C ATOM 1432 O LEU A 96 -18.128 -5.203 -3.511 1.00 0.00 O ATOM 1433 CB LEU A 96 -16.671 -3.583 -5.584 1.00 0.00 C ATOM 1434 CG LEU A 96 -17.065 -2.592 -6.701 1.00 0.00 C ATOM 1435 CD1 LEU A 96 -16.511 -1.175 -6.533 1.00 0.00 C ATOM 1436 CD2 LEU A 96 -16.573 -3.117 -8.054 1.00 0.00 C ATOM 0 H LEU A 96 -15.204 -2.177 -4.244 1.00 0.00 H new ATOM 0 HA LEU A 96 -17.994 -2.624 -4.158 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -15.594 -3.743 -5.629 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -17.145 -4.543 -5.791 1.00 0.00 H new ATOM 0 HG LEU A 96 -18.151 -2.524 -6.643 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -16.842 -0.554 -7.365 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -16.874 -0.751 -5.597 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -15.422 -1.210 -6.517 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -16.853 -2.415 -8.840 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -15.488 -3.222 -8.031 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -17.028 -4.087 -8.255 1.00 0.00 H new ATOM 1448 N ASN A 97 -16.453 -4.549 -2.174 1.00 0.00 N ATOM 1449 CA ASN A 97 -16.535 -5.607 -1.164 1.00 0.00 C ATOM 1450 C ASN A 97 -16.853 -5.007 0.216 1.00 0.00 C ATOM 1451 O ASN A 97 -16.588 -5.634 1.245 1.00 0.00 O ATOM 1452 CB ASN A 97 -15.240 -6.448 -1.165 1.00 0.00 C ATOM 1453 CG ASN A 97 -15.262 -7.544 -2.219 1.00 0.00 C ATOM 1454 OD1 ASN A 97 -15.629 -8.682 -1.940 1.00 0.00 O ATOM 1455 ND2 ASN A 97 -14.835 -7.252 -3.432 1.00 0.00 N ATOM 0 H ASN A 97 -15.688 -3.902 -1.983 1.00 0.00 H new ATOM 0 HA ASN A 97 -17.354 -6.283 -1.411 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -14.386 -5.795 -1.342 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -15.100 -6.896 -0.181 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -14.807 -7.975 -4.151 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -14.533 -6.303 -3.652 1.00 0.00 H new ATOM 1462 N GLY A 98 -17.429 -3.802 0.267 1.00 0.00 N ATOM 1463 CA GLY A 98 -18.040 -3.259 1.476 1.00 0.00 C ATOM 1464 C GLY A 98 -17.124 -2.361 2.307 1.00 0.00 C ATOM 1465 O GLY A 98 -17.513 -1.954 3.405 1.00 0.00 O ATOM 0 H GLY A 98 -17.483 -3.175 -0.536 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -18.926 -2.690 1.195 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -18.377 -4.087 2.099 1.00 0.00 H new ATOM 1469 N PHE A 99 -15.919 -2.043 1.823 1.00 0.00 N ATOM 1470 CA PHE A 99 -15.220 -0.841 2.270 1.00 0.00 C ATOM 1471 C PHE A 99 -15.837 0.387 1.562 1.00 0.00 C ATOM 1472 O PHE A 99 -16.734 0.237 0.730 1.00 0.00 O ATOM 1473 CB PHE A 99 -13.730 -0.939 1.932 1.00 0.00 C ATOM 1474 CG PHE A 99 -12.859 -1.741 2.875 1.00 0.00 C ATOM 1475 CD1 PHE A 99 -12.916 -3.146 2.883 1.00 0.00 C ATOM 1476 CD2 PHE A 99 -11.920 -1.069 3.688 1.00 0.00 C ATOM 1477 CE1 PHE A 99 -12.090 -3.870 3.762 1.00 0.00 C ATOM 1478 CE2 PHE A 99 -11.048 -1.793 4.510 1.00 0.00 C ATOM 1479 CZ PHE A 99 -11.164 -3.190 4.574 1.00 0.00 C ATOM 0 H PHE A 99 -15.415 -2.596 1.130 1.00 0.00 H new ATOM 0 HA PHE A 99 -15.325 -0.739 3.350 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -13.637 -1.372 0.936 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -13.328 0.073 1.879 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -13.590 -3.666 2.218 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -11.874 0.010 3.676 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -12.167 -4.946 3.813 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.294 -1.281 5.089 1.00 0.00 H new ATOM 0 HZ PHE A 99 -10.537 -3.748 5.253 1.00 0.00 H new ATOM 1489 N LYS A 100 -15.347 1.598 1.859 1.00 0.00 N ATOM 1490 CA LYS A 100 -15.853 2.841 1.276 1.00 0.00 C ATOM 1491 C LYS A 100 -15.344 3.109 -0.147 1.00 0.00 C ATOM 1492 O LYS A 100 -16.131 3.053 -1.095 1.00 0.00 O ATOM 1493 CB LYS A 100 -15.543 4.010 2.230 1.00 0.00 C ATOM 1494 CG LYS A 100 -16.113 5.372 1.790 1.00 0.00 C ATOM 1495 CD LYS A 100 -17.571 5.336 1.305 1.00 0.00 C ATOM 1496 CE LYS A 100 -18.485 4.879 2.444 1.00 0.00 C ATOM 1497 NZ LYS A 100 -19.847 4.547 1.985 1.00 0.00 N ATOM 0 H LYS A 100 -14.581 1.740 2.517 1.00 0.00 H new ATOM 0 HA LYS A 100 -16.932 2.738 1.165 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -15.937 3.769 3.217 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -14.462 4.100 2.332 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -16.040 6.067 2.626 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -15.489 5.770 0.990 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -17.873 6.324 0.958 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -17.665 4.658 0.457 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -18.047 4.006 2.928 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -18.542 5.666 3.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -20.423 4.244 2.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -20.280 5.385 1.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -19.800 3.777 1.287 1.00 0.00 H new ATOM 1511 N SER A 101 -14.086 3.525 -0.276 1.00 0.00 N ATOM 1512 CA SER A 101 -13.460 4.025 -1.489 1.00 0.00 C ATOM 1513 C SER A 101 -11.959 3.868 -1.306 1.00 0.00 C ATOM 1514 O SER A 101 -11.418 4.314 -0.292 1.00 0.00 O ATOM 1515 CB SER A 101 -13.705 5.522 -1.676 1.00 0.00 C ATOM 1516 OG SER A 101 -15.051 5.926 -1.497 1.00 0.00 O ATOM 0 H SER A 101 -13.441 3.520 0.514 1.00 0.00 H new ATOM 0 HA SER A 101 -13.866 3.480 -2.341 1.00 0.00 H new ATOM 0 HB2 SER A 101 -13.078 6.070 -0.972 1.00 0.00 H new ATOM 0 HB3 SER A 101 -13.384 5.807 -2.678 1.00 0.00 H new ATOM 0 HG SER A 101 -15.123 6.894 -1.632 1.00 0.00 H new ATOM 1522 N ALA A 102 -11.285 3.249 -2.264 1.00 0.00 N ATOM 1523 CA ALA A 102 -9.862 2.979 -2.178 1.00 0.00 C ATOM 1524 C ALA A 102 -9.125 3.509 -3.404 1.00 0.00 C ATOM 1525 O ALA A 102 -9.733 3.919 -4.393 1.00 0.00 O ATOM 1526 CB ALA A 102 -9.624 1.490 -1.916 1.00 0.00 C ATOM 0 H ALA A 102 -11.715 2.919 -3.128 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.442 3.518 -1.329 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -8.553 1.298 -1.853 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -10.099 1.205 -0.977 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -10.050 0.905 -2.731 1.00 0.00 H new ATOM 1532 N TYR A 103 -7.802 3.543 -3.309 1.00 0.00 N ATOM 1533 CA TYR A 103 -6.907 4.334 -4.135 1.00 0.00 C ATOM 1534 C TYR A 103 -5.669 3.535 -4.492 1.00 0.00 C ATOM 1535 O TYR A 103 -5.336 2.558 -3.823 1.00 0.00 O ATOM 1536 CB TYR A 103 -6.480 5.573 -3.335 1.00 0.00 C ATOM 1537 CG TYR A 103 -7.291 6.807 -3.627 1.00 0.00 C ATOM 1538 CD1 TYR A 103 -8.575 6.964 -3.079 1.00 0.00 C ATOM 1539 CD2 TYR A 103 -6.758 7.787 -4.478 1.00 0.00 C ATOM 1540 CE1 TYR A 103 -9.359 8.068 -3.444 1.00 0.00 C ATOM 1541 CE2 TYR A 103 -7.524 8.905 -4.826 1.00 0.00 C ATOM 1542 CZ TYR A 103 -8.849 9.025 -4.351 1.00 0.00 C ATOM 1543 OH TYR A 103 -9.627 10.048 -4.791 1.00 0.00 O ATOM 0 H TYR A 103 -7.300 2.989 -2.615 1.00 0.00 H new ATOM 0 HA TYR A 103 -7.421 4.618 -5.053 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -6.553 5.347 -2.271 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -5.431 5.783 -3.545 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -8.957 6.236 -2.378 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -5.756 7.678 -4.865 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -10.351 8.187 -3.033 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -7.103 9.674 -5.456 1.00 0.00 H new ATOM 0 HH TYR A 103 -9.112 10.609 -5.408 1.00 0.00 H new ATOM 1553 N ALA A 104 -4.943 4.012 -5.499 1.00 0.00 N ATOM 1554 CA ALA A 104 -3.649 3.505 -5.910 1.00 0.00 C ATOM 1555 C ALA A 104 -2.655 4.668 -5.977 1.00 0.00 C ATOM 1556 O ALA A 104 -3.052 5.842 -6.023 1.00 0.00 O ATOM 1557 CB ALA A 104 -3.819 2.806 -7.263 1.00 0.00 C ATOM 0 H ALA A 104 -5.259 4.795 -6.071 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.256 2.781 -5.197 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -2.857 2.415 -7.594 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -4.529 1.985 -7.162 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.193 3.520 -7.997 1.00 0.00 H new ATOM 1563 N ILE A 105 -1.368 4.331 -6.018 1.00 0.00 N ATOM 1564 CA ILE A 105 -0.253 5.257 -6.200 1.00 0.00 C ATOM 1565 C ILE A 105 0.370 4.928 -7.559 1.00 0.00 C ATOM 1566 O ILE A 105 0.556 3.760 -7.915 1.00 0.00 O ATOM 1567 CB ILE A 105 0.729 5.265 -4.983 1.00 0.00 C ATOM 1568 CG1 ILE A 105 2.205 5.435 -5.395 1.00 0.00 C ATOM 1569 CG2 ILE A 105 0.624 4.082 -4.017 1.00 0.00 C ATOM 1570 CD1 ILE A 105 3.178 5.516 -4.212 1.00 0.00 C ATOM 0 H ILE A 105 -1.061 3.363 -5.921 1.00 0.00 H new ATOM 0 HA ILE A 105 -0.587 6.294 -6.218 1.00 0.00 H new ATOM 0 HB ILE A 105 0.386 6.144 -4.437 1.00 0.00 H new ATOM 0 HG12 ILE A 105 2.492 4.598 -6.032 1.00 0.00 H new ATOM 0 HG13 ILE A 105 2.302 6.340 -5.995 1.00 0.00 H new ATOM 0 HG21 ILE A 105 1.354 4.200 -3.216 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -0.379 4.048 -3.591 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.822 3.155 -4.555 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.195 5.635 -4.585 1.00 0.00 H new ATOM 0 HD12 ILE A 105 2.919 6.370 -3.586 1.00 0.00 H new ATOM 0 HD13 ILE A 105 3.112 4.601 -3.623 1.00 0.00 H new ATOM 1582 N LYS A 106 0.672 5.956 -8.351 1.00 0.00 N ATOM 1583 CA LYS A 106 1.438 5.785 -9.578 1.00 0.00 C ATOM 1584 C LYS A 106 2.844 5.351 -9.184 1.00 0.00 C ATOM 1585 O LYS A 106 3.408 5.919 -8.252 1.00 0.00 O ATOM 1586 CB LYS A 106 1.435 7.105 -10.366 1.00 0.00 C ATOM 1587 CG LYS A 106 1.678 6.894 -11.867 1.00 0.00 C ATOM 1588 CD LYS A 106 3.155 6.941 -12.268 1.00 0.00 C ATOM 1589 CE LYS A 106 3.355 6.272 -13.630 1.00 0.00 C ATOM 1590 NZ LYS A 106 3.472 4.807 -13.554 1.00 0.00 N ATOM 0 H LYS A 106 0.395 6.919 -8.161 1.00 0.00 H new ATOM 0 HA LYS A 106 1.003 5.024 -10.226 1.00 0.00 H new ATOM 0 HB2 LYS A 106 0.478 7.607 -10.223 1.00 0.00 H new ATOM 0 HB3 LYS A 106 2.205 7.765 -9.966 1.00 0.00 H new ATOM 0 HG2 LYS A 106 1.262 5.930 -12.161 1.00 0.00 H new ATOM 0 HG3 LYS A 106 1.136 7.658 -12.424 1.00 0.00 H new ATOM 0 HD2 LYS A 106 3.495 7.976 -12.310 1.00 0.00 H new ATOM 0 HD3 LYS A 106 3.760 6.437 -11.515 1.00 0.00 H new ATOM 0 HE2 LYS A 106 2.517 6.528 -14.278 1.00 0.00 H new ATOM 0 HE3 LYS A 106 4.254 6.676 -14.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 3.656 4.424 -14.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 4.257 4.554 -12.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 2.586 4.407 -13.185 1.00 0.00 H new ATOM 1604 N ASP A 107 3.426 4.416 -9.936 1.00 0.00 N ATOM 1605 CA ASP A 107 4.807 3.928 -9.800 1.00 0.00 C ATOM 1606 C ASP A 107 5.028 3.058 -8.563 1.00 0.00 C ATOM 1607 O ASP A 107 6.154 2.606 -8.330 1.00 0.00 O ATOM 1608 CB ASP A 107 5.852 5.067 -9.896 1.00 0.00 C ATOM 1609 CG ASP A 107 6.286 5.408 -11.311 1.00 0.00 C ATOM 1610 OD1 ASP A 107 5.905 4.702 -12.271 1.00 0.00 O ATOM 1611 OD2 ASP A 107 6.980 6.432 -11.484 1.00 0.00 O ATOM 0 H ASP A 107 2.926 3.953 -10.695 1.00 0.00 H new ATOM 0 HA ASP A 107 4.964 3.275 -10.659 1.00 0.00 H new ATOM 0 HB2 ASP A 107 5.439 5.962 -9.431 1.00 0.00 H new ATOM 0 HB3 ASP A 107 6.732 4.785 -9.318 1.00 0.00 H new ATOM 1616 N GLY A 108 3.976 2.771 -7.790 1.00 0.00 N ATOM 1617 CA GLY A 108 4.090 2.004 -6.563 1.00 0.00 C ATOM 1618 C GLY A 108 5.199 2.582 -5.689 1.00 0.00 C ATOM 1619 O GLY A 108 5.303 3.802 -5.539 1.00 0.00 O ATOM 0 H GLY A 108 3.024 3.068 -8.005 1.00 0.00 H new ATOM 0 HA2 GLY A 108 3.143 2.022 -6.023 1.00 0.00 H new ATOM 0 HA3 GLY A 108 4.304 0.961 -6.795 1.00 0.00 H new ATOM 1623 N ALA A 109 6.033 1.732 -5.096 1.00 0.00 N ATOM 1624 CA ALA A 109 7.133 2.193 -4.264 1.00 0.00 C ATOM 1625 C ALA A 109 8.453 2.313 -5.032 1.00 0.00 C ATOM 1626 O ALA A 109 9.266 3.142 -4.635 1.00 0.00 O ATOM 1627 CB ALA A 109 7.236 1.354 -2.983 1.00 0.00 C ATOM 0 H ALA A 109 5.965 0.718 -5.179 1.00 0.00 H new ATOM 0 HA ALA A 109 6.909 3.214 -3.954 1.00 0.00 H new ATOM 0 HB1 ALA A 109 8.066 1.717 -2.376 1.00 0.00 H new ATOM 0 HB2 ALA A 109 6.308 1.439 -2.417 1.00 0.00 H new ATOM 0 HB3 ALA A 109 7.407 0.310 -3.245 1.00 0.00 H new ATOM 1633 N GLU A 110 8.687 1.532 -6.091 1.00 0.00 N ATOM 1634 CA GLU A 110 9.990 1.440 -6.746 1.00 0.00 C ATOM 1635 C GLU A 110 10.123 2.304 -8.014 1.00 0.00 C ATOM 1636 O GLU A 110 11.240 2.490 -8.509 1.00 0.00 O ATOM 1637 CB GLU A 110 10.394 -0.011 -7.065 1.00 0.00 C ATOM 1638 CG GLU A 110 11.078 -0.724 -5.884 1.00 0.00 C ATOM 1639 CD GLU A 110 12.491 -1.250 -6.192 1.00 0.00 C ATOM 1640 OE1 GLU A 110 12.682 -1.849 -7.276 1.00 0.00 O ATOM 1641 OE2 GLU A 110 13.361 -1.242 -5.294 1.00 0.00 O ATOM 0 H GLU A 110 7.972 0.944 -6.518 1.00 0.00 H new ATOM 0 HA GLU A 110 10.680 1.845 -6.006 1.00 0.00 H new ATOM 0 HB2 GLU A 110 9.506 -0.573 -7.355 1.00 0.00 H new ATOM 0 HB3 GLU A 110 11.068 -0.014 -7.922 1.00 0.00 H new ATOM 0 HG2 GLU A 110 11.136 -0.034 -5.043 1.00 0.00 H new ATOM 0 HG3 GLU A 110 10.453 -1.559 -5.568 1.00 0.00 H new ATOM 1648 N GLY A 111 9.029 2.812 -8.590 1.00 0.00 N ATOM 1649 CA GLY A 111 9.087 3.496 -9.881 1.00 0.00 C ATOM 1650 C GLY A 111 9.759 4.872 -9.802 1.00 0.00 C ATOM 1651 O GLY A 111 10.030 5.366 -8.704 1.00 0.00 O ATOM 0 H GLY A 111 8.096 2.762 -8.182 1.00 0.00 H new ATOM 0 HA2 GLY A 111 9.630 2.873 -10.592 1.00 0.00 H new ATOM 0 HA3 GLY A 111 8.075 3.614 -10.269 1.00 0.00 H new ATOM 1655 N PRO A 112 10.038 5.518 -10.951 1.00 0.00 N ATOM 1656 CA PRO A 112 10.834 6.743 -11.002 1.00 0.00 C ATOM 1657 C PRO A 112 10.229 7.913 -10.231 1.00 0.00 C ATOM 1658 O PRO A 112 10.975 8.796 -9.802 1.00 0.00 O ATOM 1659 CB PRO A 112 11.059 7.065 -12.484 1.00 0.00 C ATOM 1660 CG PRO A 112 10.001 6.245 -13.215 1.00 0.00 C ATOM 1661 CD PRO A 112 9.759 5.048 -12.297 1.00 0.00 C ATOM 0 HA PRO A 112 11.783 6.577 -10.492 1.00 0.00 H new ATOM 0 HB2 PRO A 112 10.942 8.131 -12.681 1.00 0.00 H new ATOM 0 HB3 PRO A 112 12.065 6.790 -12.802 1.00 0.00 H new ATOM 0 HG2 PRO A 112 9.088 6.820 -13.370 1.00 0.00 H new ATOM 0 HG3 PRO A 112 10.350 5.929 -14.198 1.00 0.00 H new ATOM 0 HD2 PRO A 112 8.732 4.692 -12.382 1.00 0.00 H new ATOM 0 HD3 PRO A 112 10.409 4.214 -12.562 1.00 0.00 H new ATOM 1669 N ARG A 113 8.921 7.892 -9.958 1.00 0.00 N ATOM 1670 CA ARG A 113 8.252 8.812 -9.039 1.00 0.00 C ATOM 1671 C ARG A 113 7.333 8.062 -8.073 1.00 0.00 C ATOM 1672 O ARG A 113 6.332 8.614 -7.609 1.00 0.00 O ATOM 1673 CB ARG A 113 7.558 9.909 -9.866 1.00 0.00 C ATOM 1674 CG ARG A 113 8.555 10.913 -10.468 1.00 0.00 C ATOM 1675 CD ARG A 113 9.220 11.765 -9.373 1.00 0.00 C ATOM 1676 NE ARG A 113 10.447 12.412 -9.844 1.00 0.00 N ATOM 1677 CZ ARG A 113 11.298 13.081 -9.063 1.00 0.00 C ATOM 1678 NH1 ARG A 113 11.064 13.258 -7.763 1.00 0.00 N ATOM 1679 NH2 ARG A 113 12.412 13.580 -9.578 1.00 0.00 N ATOM 0 H ARG A 113 8.284 7.217 -10.382 1.00 0.00 H new ATOM 0 HA ARG A 113 8.974 9.306 -8.389 1.00 0.00 H new ATOM 0 HB2 ARG A 113 6.984 9.446 -10.669 1.00 0.00 H new ATOM 0 HB3 ARG A 113 6.848 10.442 -9.233 1.00 0.00 H new ATOM 0 HG2 ARG A 113 9.320 10.377 -11.029 1.00 0.00 H new ATOM 0 HG3 ARG A 113 8.038 11.563 -11.174 1.00 0.00 H new ATOM 0 HD2 ARG A 113 8.518 12.526 -9.031 1.00 0.00 H new ATOM 0 HD3 ARG A 113 9.450 11.135 -8.514 1.00 0.00 H new ATOM 0 HE ARG A 113 10.666 12.347 -10.838 1.00 0.00 H new ATOM 0 HH11 ARG A 113 10.217 12.878 -7.341 1.00 0.00 H new ATOM 0 HH12 ARG A 113 11.732 13.774 -7.190 1.00 0.00 H new ATOM 0 HH21 ARG A 113 12.618 13.453 -10.569 1.00 0.00 H new ATOM 0 HH22 ARG A 113 13.064 14.092 -8.984 1.00 0.00 H new ATOM 1693 N GLY A 114 7.689 6.814 -7.764 1.00 0.00 N ATOM 1694 CA GLY A 114 7.060 6.019 -6.727 1.00 0.00 C ATOM 1695 C GLY A 114 7.497 6.493 -5.343 1.00 0.00 C ATOM 1696 O GLY A 114 8.260 7.454 -5.204 1.00 0.00 O ATOM 0 H GLY A 114 8.443 6.323 -8.245 1.00 0.00 H new ATOM 0 HA2 GLY A 114 5.976 6.089 -6.815 1.00 0.00 H new ATOM 0 HA3 GLY A 114 7.323 4.969 -6.857 1.00 0.00 H new ATOM 1700 N TRP A 115 7.004 5.810 -4.309 1.00 0.00 N ATOM 1701 CA TRP A 115 7.197 6.125 -2.890 1.00 0.00 C ATOM 1702 C TRP A 115 8.678 6.427 -2.575 1.00 0.00 C ATOM 1703 O TRP A 115 8.969 7.508 -2.045 1.00 0.00 O ATOM 1704 CB TRP A 115 6.646 4.969 -2.036 1.00 0.00 C ATOM 1705 CG TRP A 115 6.272 5.274 -0.617 1.00 0.00 C ATOM 1706 CD1 TRP A 115 7.146 5.446 0.398 1.00 0.00 C ATOM 1707 CD2 TRP A 115 4.944 5.401 -0.015 1.00 0.00 C ATOM 1708 NE1 TRP A 115 6.463 5.600 1.580 1.00 0.00 N ATOM 1709 CE2 TRP A 115 5.101 5.604 1.385 1.00 0.00 C ATOM 1710 CE3 TRP A 115 3.619 5.353 -0.500 1.00 0.00 C ATOM 1711 CZ2 TRP A 115 4.007 5.750 2.252 1.00 0.00 C ATOM 1712 CZ3 TRP A 115 2.512 5.493 0.356 1.00 0.00 C ATOM 1713 CH2 TRP A 115 2.704 5.689 1.734 1.00 0.00 C ATOM 0 H TRP A 115 6.429 4.978 -4.444 1.00 0.00 H new ATOM 0 HA TRP A 115 6.644 7.032 -2.644 1.00 0.00 H new ATOM 0 HB2 TRP A 115 5.764 4.571 -2.538 1.00 0.00 H new ATOM 0 HB3 TRP A 115 7.392 4.175 -2.024 1.00 0.00 H new ATOM 0 HD1 TRP A 115 8.221 5.460 0.296 1.00 0.00 H new ATOM 0 HE1 TRP A 115 6.911 5.699 2.491 1.00 0.00 H new ATOM 0 HE3 TRP A 115 3.451 5.205 -1.557 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 4.166 5.908 3.308 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 1.511 5.450 -0.047 1.00 0.00 H new ATOM 0 HH2 TRP A 115 1.853 5.792 2.391 1.00 0.00 H new ATOM 1724 N LEU A 116 9.605 5.519 -2.935 1.00 0.00 N ATOM 1725 CA LEU A 116 11.038 5.638 -2.645 1.00 0.00 C ATOM 1726 C LEU A 116 11.581 6.923 -3.267 1.00 0.00 C ATOM 1727 O LEU A 116 12.265 7.710 -2.603 1.00 0.00 O ATOM 1728 CB LEU A 116 11.851 4.416 -3.164 1.00 0.00 C ATOM 1729 CG LEU A 116 11.721 3.098 -2.378 1.00 0.00 C ATOM 1730 CD1 LEU A 116 12.466 1.976 -3.106 1.00 0.00 C ATOM 1731 CD2 LEU A 116 12.279 3.217 -0.951 1.00 0.00 C ATOM 0 H LEU A 116 9.369 4.668 -3.445 1.00 0.00 H new ATOM 0 HA LEU A 116 11.153 5.667 -1.561 1.00 0.00 H new ATOM 0 HB2 LEU A 116 11.553 4.225 -4.195 1.00 0.00 H new ATOM 0 HB3 LEU A 116 12.905 4.695 -3.183 1.00 0.00 H new ATOM 0 HG LEU A 116 10.657 2.870 -2.313 1.00 0.00 H new ATOM 0 HD11 LEU A 116 12.368 1.048 -2.542 1.00 0.00 H new ATOM 0 HD12 LEU A 116 12.041 1.843 -4.101 1.00 0.00 H new ATOM 0 HD13 LEU A 116 13.521 2.237 -3.194 1.00 0.00 H new ATOM 0 HD21 LEU A 116 12.166 2.263 -0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 116 13.335 3.483 -0.994 1.00 0.00 H new ATOM 0 HD23 LEU A 116 11.732 3.989 -0.410 1.00 0.00 H new ATOM 1743 N ASN A 117 11.277 7.143 -4.546 1.00 0.00 N ATOM 1744 CA ASN A 117 11.750 8.275 -5.344 1.00 0.00 C ATOM 1745 C ASN A 117 11.073 9.601 -4.986 1.00 0.00 C ATOM 1746 O ASN A 117 11.479 10.651 -5.495 1.00 0.00 O ATOM 1747 CB ASN A 117 11.537 7.977 -6.834 1.00 0.00 C ATOM 1748 CG ASN A 117 12.735 7.249 -7.425 1.00 0.00 C ATOM 1749 OD1 ASN A 117 13.147 6.204 -6.935 1.00 0.00 O ATOM 1750 ND2 ASN A 117 13.347 7.811 -8.453 1.00 0.00 N ATOM 0 H ASN A 117 10.672 6.515 -5.075 1.00 0.00 H new ATOM 0 HA ASN A 117 12.810 8.394 -5.119 1.00 0.00 H new ATOM 0 HB2 ASN A 117 10.640 7.371 -6.962 1.00 0.00 H new ATOM 0 HB3 ASN A 117 11.372 8.909 -7.374 1.00 0.00 H new ATOM 0 HD21 ASN A 117 14.178 7.375 -8.853 1.00 0.00 H new ATOM 0 HD22 ASN A 117 12.988 8.681 -8.847 1.00 0.00 H new ATOM 1757 N SER A 118 10.066 9.589 -4.114 1.00 0.00 N ATOM 1758 CA SER A 118 9.286 10.759 -3.747 1.00 0.00 C ATOM 1759 C SER A 118 9.565 11.184 -2.300 1.00 0.00 C ATOM 1760 O SER A 118 8.730 11.887 -1.723 1.00 0.00 O ATOM 1761 CB SER A 118 7.811 10.458 -4.042 1.00 0.00 C ATOM 1762 OG SER A 118 7.024 11.637 -4.027 1.00 0.00 O ATOM 0 H SER A 118 9.766 8.741 -3.633 1.00 0.00 H new ATOM 0 HA SER A 118 9.576 11.624 -4.343 1.00 0.00 H new ATOM 0 HB2 SER A 118 7.725 9.975 -5.015 1.00 0.00 H new ATOM 0 HB3 SER A 118 7.428 9.755 -3.303 1.00 0.00 H new ATOM 0 HG SER A 118 7.275 12.188 -3.257 1.00 0.00 H new ATOM 1768 N SER A 119 10.708 10.776 -1.734 1.00 0.00 N ATOM 1769 CA SER A 119 11.196 11.046 -0.380 1.00 0.00 C ATOM 1770 C SER A 119 10.080 10.982 0.669 1.00 0.00 C ATOM 1771 O SER A 119 9.954 11.847 1.539 1.00 0.00 O ATOM 1772 CB SER A 119 12.069 12.312 -0.343 1.00 0.00 C ATOM 1773 OG SER A 119 11.402 13.463 -0.822 1.00 0.00 O ATOM 0 H SER A 119 11.368 10.201 -2.257 1.00 0.00 H new ATOM 0 HA SER A 119 11.865 10.237 -0.087 1.00 0.00 H new ATOM 0 HB2 SER A 119 12.397 12.490 0.681 1.00 0.00 H new ATOM 0 HB3 SER A 119 12.966 12.145 -0.940 1.00 0.00 H new ATOM 0 HG SER A 119 12.004 14.234 -0.773 1.00 0.00 H new ATOM 1779 N LEU A 120 9.252 9.943 0.563 1.00 0.00 N ATOM 1780 CA LEU A 120 8.316 9.530 1.596 1.00 0.00 C ATOM 1781 C LEU A 120 9.062 8.652 2.607 1.00 0.00 C ATOM 1782 O LEU A 120 10.104 8.090 2.251 1.00 0.00 O ATOM 1783 CB LEU A 120 7.174 8.766 0.915 1.00 0.00 C ATOM 1784 CG LEU A 120 6.243 9.650 0.071 1.00 0.00 C ATOM 1785 CD1 LEU A 120 5.104 8.791 -0.478 1.00 0.00 C ATOM 1786 CD2 LEU A 120 5.659 10.793 0.904 1.00 0.00 C ATOM 0 H LEU A 120 9.217 9.353 -0.268 1.00 0.00 H new ATOM 0 HA LEU A 120 7.898 10.382 2.132 1.00 0.00 H new ATOM 0 HB2 LEU A 120 7.599 7.992 0.277 1.00 0.00 H new ATOM 0 HB3 LEU A 120 6.583 8.260 1.679 1.00 0.00 H new ATOM 0 HG LEU A 120 6.821 10.084 -0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 120 4.438 9.411 -1.079 1.00 0.00 H new ATOM 0 HD12 LEU A 120 5.515 7.994 -1.098 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.545 8.355 0.350 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.005 11.401 0.279 1.00 0.00 H new ATOM 0 HD22 LEU A 120 5.087 10.382 1.736 1.00 0.00 H new ATOM 0 HD23 LEU A 120 6.469 11.412 1.291 1.00 0.00 H new ATOM 1798 N PRO A 121 8.567 8.513 3.848 1.00 0.00 N ATOM 1799 CA PRO A 121 9.257 7.750 4.886 1.00 0.00 C ATOM 1800 C PRO A 121 9.309 6.256 4.545 1.00 0.00 C ATOM 1801 O PRO A 121 8.497 5.781 3.743 1.00 0.00 O ATOM 1802 CB PRO A 121 8.475 8.015 6.177 1.00 0.00 C ATOM 1803 CG PRO A 121 7.106 8.522 5.724 1.00 0.00 C ATOM 1804 CD PRO A 121 7.353 9.137 4.356 1.00 0.00 C ATOM 0 HA PRO A 121 10.298 8.057 4.985 1.00 0.00 H new ATOM 0 HB2 PRO A 121 8.381 7.107 6.773 1.00 0.00 H new ATOM 0 HB3 PRO A 121 8.981 8.753 6.799 1.00 0.00 H new ATOM 0 HG2 PRO A 121 6.382 7.709 5.667 1.00 0.00 H new ATOM 0 HG3 PRO A 121 6.706 9.257 6.422 1.00 0.00 H new ATOM 0 HD2 PRO A 121 6.511 8.954 3.688 1.00 0.00 H new ATOM 0 HD3 PRO A 121 7.472 10.218 4.430 1.00 0.00 H new ATOM 1812 N TRP A 122 10.179 5.486 5.203 1.00 0.00 N ATOM 1813 CA TRP A 122 10.297 4.042 5.006 1.00 0.00 C ATOM 1814 C TRP A 122 10.639 3.369 6.338 1.00 0.00 C ATOM 1815 O TRP A 122 11.115 4.046 7.252 1.00 0.00 O ATOM 1816 CB TRP A 122 11.362 3.785 3.929 1.00 0.00 C ATOM 1817 CG TRP A 122 11.243 2.471 3.231 1.00 0.00 C ATOM 1818 CD1 TRP A 122 12.202 1.527 3.152 1.00 0.00 C ATOM 1819 CD2 TRP A 122 10.132 1.987 2.424 1.00 0.00 C ATOM 1820 NE1 TRP A 122 11.732 0.460 2.402 1.00 0.00 N ATOM 1821 CE2 TRP A 122 10.445 0.684 1.949 1.00 0.00 C ATOM 1822 CE3 TRP A 122 8.917 2.552 1.984 1.00 0.00 C ATOM 1823 CZ2 TRP A 122 9.550 -0.035 1.142 1.00 0.00 C ATOM 1824 CZ3 TRP A 122 8.011 1.830 1.189 1.00 0.00 C ATOM 1825 CH2 TRP A 122 8.323 0.534 0.766 1.00 0.00 C ATOM 0 H TRP A 122 10.830 5.855 5.897 1.00 0.00 H new ATOM 0 HA TRP A 122 9.355 3.613 4.664 1.00 0.00 H new ATOM 0 HB2 TRP A 122 11.307 4.581 3.186 1.00 0.00 H new ATOM 0 HB3 TRP A 122 12.347 3.847 4.391 1.00 0.00 H new ATOM 0 HD1 TRP A 122 13.182 1.592 3.602 1.00 0.00 H new ATOM 0 HE1 TRP A 122 12.269 -0.385 2.208 1.00 0.00 H new ATOM 0 HE3 TRP A 122 8.677 3.567 2.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 122 9.806 -1.030 0.809 1.00 0.00 H new ATOM 0 HZ3 TRP A 122 7.070 2.277 0.904 1.00 0.00 H new ATOM 0 HH2 TRP A 122 7.627 -0.023 0.156 1.00 0.00 H new ATOM 1836 N ILE A 123 10.380 2.063 6.484 1.00 0.00 N ATOM 1837 CA ILE A 123 10.808 1.278 7.645 1.00 0.00 C ATOM 1838 C ILE A 123 12.140 0.641 7.324 1.00 0.00 C ATOM 1839 O ILE A 123 13.051 0.791 8.126 1.00 0.00 O ATOM 1840 CB ILE A 123 9.812 0.170 8.086 1.00 0.00 C ATOM 1841 CG1 ILE A 123 8.387 0.679 8.330 1.00 0.00 C ATOM 1842 CG2 ILE A 123 10.314 -0.485 9.382 1.00 0.00 C ATOM 1843 CD1 ILE A 123 7.337 -0.402 8.591 1.00 0.00 C ATOM 0 H ILE A 123 9.863 1.519 5.793 1.00 0.00 H new ATOM 0 HA ILE A 123 10.868 1.974 8.482 1.00 0.00 H new ATOM 0 HB ILE A 123 9.768 -0.541 7.261 1.00 0.00 H new ATOM 0 HG12 ILE A 123 8.404 1.358 9.182 1.00 0.00 H new ATOM 0 HG13 ILE A 123 8.075 1.262 7.464 1.00 0.00 H new ATOM 0 HG21 ILE A 123 9.615 -1.262 9.691 1.00 0.00 H new ATOM 0 HG22 ILE A 123 11.295 -0.927 9.210 1.00 0.00 H new ATOM 0 HG23 ILE A 123 10.388 0.269 10.166 1.00 0.00 H new ATOM 0 HD11 ILE A 123 6.365 0.066 8.751 1.00 0.00 H new ATOM 0 HD12 ILE A 123 7.281 -1.070 7.732 1.00 0.00 H new ATOM 0 HD13 ILE A 123 7.615 -0.973 9.477 1.00 0.00 H new ATOM 1855 N GLU A 124 12.217 -0.090 6.206 1.00 0.00 N ATOM 1856 CA GLU A 124 13.387 -0.866 5.791 1.00 0.00 C ATOM 1857 C GLU A 124 13.695 -2.041 6.754 1.00 0.00 C ATOM 1858 O GLU A 124 13.125 -2.130 7.851 1.00 0.00 O ATOM 1859 CB GLU A 124 14.514 0.116 5.415 1.00 0.00 C ATOM 1860 CG GLU A 124 15.456 0.563 6.515 1.00 0.00 C ATOM 1861 CD GLU A 124 16.963 0.483 6.278 1.00 0.00 C ATOM 1862 OE1 GLU A 124 17.458 0.040 5.216 1.00 0.00 O ATOM 1863 OE2 GLU A 124 17.673 0.878 7.230 1.00 0.00 O ATOM 0 H GLU A 124 11.442 -0.159 5.546 1.00 0.00 H new ATOM 0 HA GLU A 124 13.206 -1.432 4.877 1.00 0.00 H new ATOM 0 HB2 GLU A 124 15.112 -0.345 4.629 1.00 0.00 H new ATOM 0 HB3 GLU A 124 14.054 1.006 4.986 1.00 0.00 H new ATOM 0 HG2 GLU A 124 15.215 1.599 6.754 1.00 0.00 H new ATOM 0 HG3 GLU A 124 15.231 -0.029 7.402 1.00 0.00 H new ATOM 1870 N PRO A 125 14.539 -3.002 6.348 1.00 0.00 N ATOM 1871 CA PRO A 125 14.932 -4.159 7.153 1.00 0.00 C ATOM 1872 C PRO A 125 15.849 -3.752 8.316 1.00 0.00 C ATOM 1873 O PRO A 125 16.010 -2.568 8.621 1.00 0.00 O ATOM 1874 CB PRO A 125 15.629 -5.095 6.158 1.00 0.00 C ATOM 1875 CG PRO A 125 16.307 -4.098 5.225 1.00 0.00 C ATOM 1876 CD PRO A 125 15.246 -3.021 5.080 1.00 0.00 C ATOM 0 HA PRO A 125 14.081 -4.643 7.633 1.00 0.00 H new ATOM 0 HB2 PRO A 125 16.348 -5.752 6.648 1.00 0.00 H new ATOM 0 HB3 PRO A 125 14.921 -5.734 5.631 1.00 0.00 H new ATOM 0 HG2 PRO A 125 17.230 -3.705 5.651 1.00 0.00 H new ATOM 0 HG3 PRO A 125 16.564 -4.548 4.266 1.00 0.00 H new ATOM 0 HD2 PRO A 125 15.697 -2.052 4.867 1.00 0.00 H new ATOM 0 HD3 PRO A 125 14.569 -3.245 4.256 1.00 0.00 H new