USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 771 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 78 SER OG : rot -83:sc= 0.806 USER MOD Set 1.2: A 87 SER OG : rot 180:sc= 0.586 USER MOD Set 2.1: A 30 CYS SG : rot 148:sc= 0.84 USER MOD Set 2.2: A 62 CYS SG : rot 126:sc= -5.77! USER MOD Set 3.1: A 9 SER OG : rot 38:sc= 0.763 USER MOD Set 3.2: A 81 CYS SG : rot -131:sc= 0.0974 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 17:sc= 0.504 USER MOD Single : A 10 LYS NZ :NH3+ -121:sc=-0.00158 (180deg=-0.739) USER MOD Single : A 17 ASN : amide:sc= -1.24 X(o=-1.2,f=-1.1) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 62:sc= 0.0218 USER MOD Single : A 33 SER OG : rot 170:sc= 0.179 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.121) USER MOD Single : A 44 HIS : no HD1:sc=-0.000622 X(o=-0.00062,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HE2:sc= -6! C(o=-6!,f=-7.6!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -2.64 X(o=-2.6,f=-3.1!) USER MOD Single : A 60 SER OG : rot 180:sc= -1.53 USER MOD Single : A 65 GLN : amide:sc= -0.502 K(o=-0.5,f=-2) USER MOD Single : A 77 TYR OH : rot -45:sc= 0.0918 USER MOD Single : A 79 CYS SG : rot 105:sc= 1.92 USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0684 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.990 30.715 -6.769 1.00 0.00 N ATOM 2 CA GLY A 1 10.833 31.408 -5.504 1.00 0.00 C ATOM 3 C GLY A 1 9.386 31.743 -5.202 1.00 0.00 C ATOM 4 O GLY A 1 9.018 32.915 -5.116 1.00 0.00 O ATOM 0 H1 GLY A 1 11.997 30.509 -6.929 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.453 29.824 -6.746 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.633 31.315 -7.540 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.234 30.789 -4.702 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.419 32.327 -5.521 1.00 0.00 H new ATOM 8 N SER A 2 8.563 30.712 -5.041 1.00 0.00 N ATOM 9 CA SER A 2 7.147 30.903 -4.752 1.00 0.00 C ATOM 10 C SER A 2 6.957 31.685 -3.455 1.00 0.00 C ATOM 11 O SER A 2 7.568 31.372 -2.434 1.00 0.00 O ATOM 12 CB SER A 2 6.438 29.551 -4.653 1.00 0.00 C ATOM 13 OG SER A 2 5.141 29.694 -4.100 1.00 0.00 O ATOM 0 H SER A 2 8.852 29.736 -5.106 1.00 0.00 H new ATOM 0 HA SER A 2 6.709 31.476 -5.569 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.367 29.101 -5.643 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.027 28.872 -4.036 1.00 0.00 H new ATOM 0 HG SER A 2 4.709 28.816 -4.049 1.00 0.00 H new ATOM 19 N SER A 3 6.106 32.705 -3.506 1.00 0.00 N ATOM 20 CA SER A 3 5.838 33.536 -2.338 1.00 0.00 C ATOM 21 C SER A 3 4.847 32.852 -1.401 1.00 0.00 C ATOM 22 O SER A 3 3.643 33.094 -1.469 1.00 0.00 O ATOM 23 CB SER A 3 5.293 34.898 -2.769 1.00 0.00 C ATOM 24 OG SER A 3 5.360 35.834 -1.707 1.00 0.00 O ATOM 0 H SER A 3 5.590 32.976 -4.343 1.00 0.00 H new ATOM 0 HA SER A 3 6.776 33.681 -1.803 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.864 35.268 -3.621 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.260 34.792 -3.099 1.00 0.00 H new ATOM 0 HG SER A 3 5.007 36.697 -2.009 1.00 0.00 H new ATOM 30 N GLY A 4 5.365 31.995 -0.526 1.00 0.00 N ATOM 31 CA GLY A 4 4.513 31.288 0.413 1.00 0.00 C ATOM 32 C GLY A 4 5.266 30.235 1.200 1.00 0.00 C ATOM 33 O GLY A 4 6.277 29.707 0.735 1.00 0.00 O ATOM 0 H GLY A 4 6.359 31.778 -0.451 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.067 32.004 1.104 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.694 30.815 -0.129 1.00 0.00 H new ATOM 37 N SER A 5 4.776 29.929 2.397 1.00 0.00 N ATOM 38 CA SER A 5 5.413 28.936 3.254 1.00 0.00 C ATOM 39 C SER A 5 4.753 27.571 3.087 1.00 0.00 C ATOM 40 O SER A 5 5.426 26.568 2.849 1.00 0.00 O ATOM 41 CB SER A 5 5.343 29.374 4.718 1.00 0.00 C ATOM 42 OG SER A 5 6.161 30.507 4.952 1.00 0.00 O ATOM 0 H SER A 5 3.939 30.355 2.796 1.00 0.00 H new ATOM 0 HA SER A 5 6.459 28.853 2.957 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.311 29.606 4.982 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.660 28.554 5.362 1.00 0.00 H new ATOM 0 HG SER A 5 6.097 30.768 5.895 1.00 0.00 H new ATOM 48 N SER A 6 3.430 27.541 3.214 1.00 0.00 N ATOM 49 CA SER A 6 2.678 26.299 3.081 1.00 0.00 C ATOM 50 C SER A 6 1.243 26.577 2.643 1.00 0.00 C ATOM 51 O SER A 6 0.575 27.455 3.188 1.00 0.00 O ATOM 52 CB SER A 6 2.679 25.533 4.405 1.00 0.00 C ATOM 53 OG SER A 6 3.911 24.861 4.604 1.00 0.00 O ATOM 0 H SER A 6 2.857 28.362 3.409 1.00 0.00 H new ATOM 0 HA SER A 6 3.162 25.691 2.317 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.501 26.224 5.229 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.862 24.811 4.412 1.00 0.00 H new ATOM 0 HG SER A 6 4.588 25.233 4.000 1.00 0.00 H new ATOM 59 N GLY A 7 0.775 25.821 1.654 1.00 0.00 N ATOM 60 CA GLY A 7 -0.577 26.001 1.159 1.00 0.00 C ATOM 61 C GLY A 7 -1.332 24.691 1.045 1.00 0.00 C ATOM 62 O GLY A 7 -1.821 24.144 2.033 1.00 0.00 O ATOM 0 H GLY A 7 1.308 25.087 1.187 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.118 26.672 1.826 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.542 26.483 0.182 1.00 0.00 H new ATOM 66 N PRO A 8 -1.436 24.169 -0.186 1.00 0.00 N ATOM 67 CA PRO A 8 -2.136 22.910 -0.455 1.00 0.00 C ATOM 68 C PRO A 8 -1.390 21.702 0.101 1.00 0.00 C ATOM 69 O PRO A 8 -0.233 21.807 0.507 1.00 0.00 O ATOM 70 CB PRO A 8 -2.185 22.851 -1.984 1.00 0.00 C ATOM 71 CG PRO A 8 -1.028 23.675 -2.432 1.00 0.00 C ATOM 72 CD PRO A 8 -0.877 24.767 -1.410 1.00 0.00 C ATOM 0 HA PRO A 8 -3.118 22.880 0.018 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.103 21.825 -2.343 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.125 23.248 -2.366 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.122 23.073 -2.496 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.206 24.091 -3.424 1.00 0.00 H new ATOM 0 HD2 PRO A 8 0.167 25.052 -1.278 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -1.418 25.667 -1.701 1.00 0.00 H new ATOM 80 N SER A 9 -2.061 20.554 0.116 1.00 0.00 N ATOM 81 CA SER A 9 -1.462 19.326 0.625 1.00 0.00 C ATOM 82 C SER A 9 -0.894 18.485 -0.514 1.00 0.00 C ATOM 83 O SER A 9 -1.638 17.864 -1.274 1.00 0.00 O ATOM 84 CB SER A 9 -2.498 18.514 1.406 1.00 0.00 C ATOM 85 OG SER A 9 -3.600 18.169 0.584 1.00 0.00 O ATOM 0 H SER A 9 -3.019 20.449 -0.218 1.00 0.00 H new ATOM 0 HA SER A 9 -0.645 19.599 1.293 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.035 17.608 1.798 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.846 19.091 2.263 1.00 0.00 H new ATOM 0 HG SER A 9 -3.281 17.955 -0.318 1.00 0.00 H new ATOM 91 N LYS A 10 0.430 18.470 -0.627 1.00 0.00 N ATOM 92 CA LYS A 10 1.101 17.705 -1.671 1.00 0.00 C ATOM 93 C LYS A 10 1.842 16.511 -1.080 1.00 0.00 C ATOM 94 O LYS A 10 2.470 16.616 -0.026 1.00 0.00 O ATOM 95 CB LYS A 10 2.079 18.599 -2.437 1.00 0.00 C ATOM 96 CG LYS A 10 1.398 19.619 -3.332 1.00 0.00 C ATOM 97 CD LYS A 10 2.411 20.481 -4.067 1.00 0.00 C ATOM 98 CE LYS A 10 2.781 21.716 -3.261 1.00 0.00 C ATOM 99 NZ LYS A 10 3.933 21.462 -2.353 1.00 0.00 N ATOM 0 H LYS A 10 1.060 18.980 -0.007 1.00 0.00 H new ATOM 0 HA LYS A 10 0.342 17.333 -2.360 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.715 19.122 -1.723 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.731 17.972 -3.045 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.764 19.105 -4.055 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.746 20.254 -2.731 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.308 19.896 -4.271 1.00 0.00 H new ATOM 0 HD3 LYS A 10 2.002 20.783 -5.031 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.027 22.532 -3.940 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.921 22.038 -2.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.646 21.642 -1.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.239 20.473 -2.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 4.720 22.093 -2.605 1.00 0.00 H new ATOM 113 N PHE A 11 1.768 15.375 -1.766 1.00 0.00 N ATOM 114 CA PHE A 11 2.433 14.161 -1.309 1.00 0.00 C ATOM 115 C PHE A 11 3.947 14.280 -1.458 1.00 0.00 C ATOM 116 O PHE A 11 4.452 14.601 -2.534 1.00 0.00 O ATOM 117 CB PHE A 11 1.926 12.949 -2.095 1.00 0.00 C ATOM 118 CG PHE A 11 0.467 12.664 -1.881 1.00 0.00 C ATOM 119 CD1 PHE A 11 0.046 11.915 -0.794 1.00 0.00 C ATOM 120 CD2 PHE A 11 -0.483 13.143 -2.768 1.00 0.00 C ATOM 121 CE1 PHE A 11 -1.295 11.650 -0.594 1.00 0.00 C ATOM 122 CE2 PHE A 11 -1.827 12.882 -2.573 1.00 0.00 C ATOM 123 CZ PHE A 11 -2.233 12.134 -1.485 1.00 0.00 C ATOM 0 H PHE A 11 1.254 15.270 -2.641 1.00 0.00 H new ATOM 0 HA PHE A 11 2.199 14.025 -0.253 1.00 0.00 H new ATOM 0 HB2 PHE A 11 2.104 13.115 -3.158 1.00 0.00 H new ATOM 0 HB3 PHE A 11 2.505 12.071 -1.808 1.00 0.00 H new ATOM 0 HD1 PHE A 11 0.775 11.534 -0.094 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -0.171 13.727 -3.621 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.610 11.065 0.258 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -2.558 13.263 -3.271 1.00 0.00 H new ATOM 0 HZ PHE A 11 -3.282 11.928 -1.331 1.00 0.00 H new ATOM 133 N ILE A 12 4.664 14.021 -0.370 1.00 0.00 N ATOM 134 CA ILE A 12 6.120 14.099 -0.379 1.00 0.00 C ATOM 135 C ILE A 12 6.741 12.743 -0.697 1.00 0.00 C ATOM 136 O ILE A 12 7.465 12.597 -1.681 1.00 0.00 O ATOM 137 CB ILE A 12 6.665 14.597 0.972 1.00 0.00 C ATOM 138 CG1 ILE A 12 5.656 15.532 1.641 1.00 0.00 C ATOM 139 CG2 ILE A 12 8.000 15.301 0.778 1.00 0.00 C ATOM 140 CD1 ILE A 12 5.279 16.723 0.789 1.00 0.00 C ATOM 0 H ILE A 12 4.261 13.755 0.529 1.00 0.00 H new ATOM 0 HA ILE A 12 6.393 14.812 -1.157 1.00 0.00 H new ATOM 0 HB ILE A 12 6.821 13.737 1.623 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.755 14.968 1.882 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.072 15.887 2.584 1.00 0.00 H new ATOM 0 HG21 ILE A 12 8.372 15.647 1.742 1.00 0.00 H new ATOM 0 HG22 ILE A 12 8.717 14.607 0.340 1.00 0.00 H new ATOM 0 HG23 ILE A 12 7.868 16.154 0.112 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.561 17.342 1.326 1.00 0.00 H new ATOM 0 HD12 ILE A 12 6.171 17.310 0.569 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.833 16.377 -0.144 1.00 0.00 H new ATOM 152 N GLU A 13 6.452 11.754 0.143 1.00 0.00 N ATOM 153 CA GLU A 13 6.982 10.410 -0.050 1.00 0.00 C ATOM 154 C GLU A 13 6.325 9.733 -1.250 1.00 0.00 C ATOM 155 O GLU A 13 6.969 8.984 -1.984 1.00 0.00 O ATOM 156 CB GLU A 13 6.763 9.566 1.207 1.00 0.00 C ATOM 157 CG GLU A 13 7.804 8.475 1.397 1.00 0.00 C ATOM 158 CD GLU A 13 8.353 7.957 0.081 1.00 0.00 C ATOM 159 OE1 GLU A 13 7.688 7.104 -0.543 1.00 0.00 O ATOM 160 OE2 GLU A 13 9.446 8.405 -0.324 1.00 0.00 O ATOM 0 H GLU A 13 5.854 11.858 0.963 1.00 0.00 H new ATOM 0 HA GLU A 13 8.052 10.493 -0.242 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.771 10.220 2.079 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.775 9.109 1.160 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.624 8.862 2.001 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.361 7.648 1.952 1.00 0.00 H new ATOM 167 N GLY A 14 5.037 10.002 -1.443 1.00 0.00 N ATOM 168 CA GLY A 14 4.314 9.411 -2.554 1.00 0.00 C ATOM 169 C GLY A 14 4.241 7.900 -2.460 1.00 0.00 C ATOM 170 O GLY A 14 5.241 7.240 -2.173 1.00 0.00 O ATOM 0 H GLY A 14 4.482 10.619 -0.850 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.304 9.819 -2.584 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.799 9.691 -3.489 1.00 0.00 H new ATOM 174 N LEU A 15 3.056 7.350 -2.701 1.00 0.00 N ATOM 175 CA LEU A 15 2.856 5.906 -2.642 1.00 0.00 C ATOM 176 C LEU A 15 3.781 5.188 -3.619 1.00 0.00 C ATOM 177 O LEU A 15 3.837 5.529 -4.801 1.00 0.00 O ATOM 178 CB LEU A 15 1.399 5.560 -2.952 1.00 0.00 C ATOM 179 CG LEU A 15 0.386 5.876 -1.851 1.00 0.00 C ATOM 180 CD1 LEU A 15 -1.021 5.510 -2.299 1.00 0.00 C ATOM 181 CD2 LEU A 15 0.746 5.141 -0.568 1.00 0.00 C ATOM 0 H LEU A 15 2.219 7.882 -2.939 1.00 0.00 H new ATOM 0 HA LEU A 15 3.095 5.572 -1.632 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.103 6.095 -3.855 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.339 4.495 -3.178 1.00 0.00 H new ATOM 0 HG LEU A 15 0.416 6.948 -1.654 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.728 5.742 -1.503 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.279 6.081 -3.191 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.065 4.445 -2.525 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.014 5.378 0.204 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.745 4.067 -0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.737 5.452 -0.237 1.00 0.00 H new ATOM 193 N ARG A 16 4.502 4.190 -3.119 1.00 0.00 N ATOM 194 CA ARG A 16 5.423 3.422 -3.949 1.00 0.00 C ATOM 195 C ARG A 16 4.943 1.982 -4.104 1.00 0.00 C ATOM 196 O ARG A 16 4.165 1.486 -3.291 1.00 0.00 O ATOM 197 CB ARG A 16 6.827 3.441 -3.341 1.00 0.00 C ATOM 198 CG ARG A 16 7.549 4.767 -3.515 1.00 0.00 C ATOM 199 CD ARG A 16 8.342 4.804 -4.812 1.00 0.00 C ATOM 200 NE ARG A 16 8.754 6.160 -5.164 1.00 0.00 N ATOM 201 CZ ARG A 16 9.586 6.440 -6.160 1.00 0.00 C ATOM 202 NH1 ARG A 16 10.092 5.463 -6.901 1.00 0.00 N ATOM 203 NH2 ARG A 16 9.914 7.700 -6.419 1.00 0.00 N ATOM 0 H ARG A 16 4.466 3.894 -2.144 1.00 0.00 H new ATOM 0 HA ARG A 16 5.456 3.884 -4.936 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.756 3.213 -2.278 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.422 2.650 -3.798 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.824 5.581 -3.507 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.220 4.930 -2.672 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.224 4.171 -4.716 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.738 4.388 -5.618 1.00 0.00 H new ATOM 0 HE ARG A 16 8.382 6.935 -4.614 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.842 4.493 -6.706 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.731 5.681 -7.666 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.527 8.455 -5.852 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.553 7.914 -7.185 1.00 0.00 H new ATOM 217 N ASN A 17 5.414 1.317 -5.154 1.00 0.00 N ATOM 218 CA ASN A 17 5.032 -0.066 -5.417 1.00 0.00 C ATOM 219 C ASN A 17 5.194 -0.922 -4.164 1.00 0.00 C ATOM 220 O ASN A 17 6.278 -1.435 -3.888 1.00 0.00 O ATOM 221 CB ASN A 17 5.876 -0.642 -6.555 1.00 0.00 C ATOM 222 CG ASN A 17 7.361 -0.415 -6.346 1.00 0.00 C ATOM 223 OD1 ASN A 17 8.054 -1.255 -5.772 1.00 0.00 O ATOM 224 ND2 ASN A 17 7.856 0.725 -6.812 1.00 0.00 N ATOM 0 H ASN A 17 6.060 1.713 -5.836 1.00 0.00 H new ATOM 0 HA ASN A 17 3.982 -0.078 -5.711 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.683 -1.711 -6.641 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.571 -0.186 -7.497 1.00 0.00 H new ATOM 0 HD21 ASN A 17 8.848 0.933 -6.701 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.244 1.393 -7.282 1.00 0.00 H new ATOM 231 N GLU A 18 4.109 -1.071 -3.412 1.00 0.00 N ATOM 232 CA GLU A 18 4.131 -1.866 -2.189 1.00 0.00 C ATOM 233 C GLU A 18 3.820 -3.330 -2.485 1.00 0.00 C ATOM 234 O GLU A 18 2.837 -3.642 -3.155 1.00 0.00 O ATOM 235 CB GLU A 18 3.125 -1.313 -1.177 1.00 0.00 C ATOM 236 CG GLU A 18 3.165 -2.018 0.168 1.00 0.00 C ATOM 237 CD GLU A 18 4.266 -1.494 1.069 1.00 0.00 C ATOM 238 OE1 GLU A 18 4.375 -0.259 1.217 1.00 0.00 O ATOM 239 OE2 GLU A 18 5.020 -2.320 1.627 1.00 0.00 O ATOM 0 H GLU A 18 3.204 -0.652 -3.627 1.00 0.00 H new ATOM 0 HA GLU A 18 5.133 -1.805 -1.765 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.320 -0.251 -1.027 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.121 -1.397 -1.592 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.204 -1.896 0.667 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.308 -3.087 0.010 1.00 0.00 H new ATOM 246 N GLU A 19 4.666 -4.222 -1.980 1.00 0.00 N ATOM 247 CA GLU A 19 4.482 -5.653 -2.192 1.00 0.00 C ATOM 248 C GLU A 19 4.350 -6.388 -0.861 1.00 0.00 C ATOM 249 O GLU A 19 5.203 -6.260 0.017 1.00 0.00 O ATOM 250 CB GLU A 19 5.653 -6.228 -2.991 1.00 0.00 C ATOM 251 CG GLU A 19 5.604 -7.739 -3.142 1.00 0.00 C ATOM 252 CD GLU A 19 6.654 -8.264 -4.101 1.00 0.00 C ATOM 253 OE1 GLU A 19 6.379 -8.304 -5.318 1.00 0.00 O ATOM 254 OE2 GLU A 19 7.751 -8.636 -3.634 1.00 0.00 O ATOM 0 H GLU A 19 5.485 -3.980 -1.422 1.00 0.00 H new ATOM 0 HA GLU A 19 3.561 -5.795 -2.758 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.664 -5.773 -3.981 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.587 -5.950 -2.502 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.745 -8.203 -2.166 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.616 -8.033 -3.495 1.00 0.00 H new ATOM 261 N ALA A 20 3.275 -7.156 -0.720 1.00 0.00 N ATOM 262 CA ALA A 20 3.032 -7.912 0.503 1.00 0.00 C ATOM 263 C ALA A 20 2.643 -9.353 0.189 1.00 0.00 C ATOM 264 O ALA A 20 2.300 -9.682 -0.948 1.00 0.00 O ATOM 265 CB ALA A 20 1.948 -7.240 1.332 1.00 0.00 C ATOM 0 H ALA A 20 2.559 -7.271 -1.437 1.00 0.00 H new ATOM 0 HA ALA A 20 3.957 -7.930 1.080 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.777 -7.815 2.242 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.264 -6.230 1.595 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.025 -7.192 0.754 1.00 0.00 H new ATOM 271 N THR A 21 2.698 -10.211 1.203 1.00 0.00 N ATOM 272 CA THR A 21 2.353 -11.617 1.035 1.00 0.00 C ATOM 273 C THR A 21 0.871 -11.855 1.299 1.00 0.00 C ATOM 274 O THR A 21 0.325 -11.380 2.294 1.00 0.00 O ATOM 275 CB THR A 21 3.181 -12.514 1.974 1.00 0.00 C ATOM 276 OG1 THR A 21 4.579 -12.305 1.745 1.00 0.00 O ATOM 277 CG2 THR A 21 2.840 -13.981 1.760 1.00 0.00 C ATOM 0 H THR A 21 2.978 -9.956 2.150 1.00 0.00 H new ATOM 0 HA THR A 21 2.581 -11.877 0.001 1.00 0.00 H new ATOM 0 HB THR A 21 2.939 -12.247 3.003 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.098 -12.878 2.347 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.437 -14.595 2.434 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.781 -14.142 1.964 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.057 -14.258 0.728 1.00 0.00 H new ATOM 285 N GLU A 22 0.226 -12.593 0.401 1.00 0.00 N ATOM 286 CA GLU A 22 -1.195 -12.893 0.538 1.00 0.00 C ATOM 287 C GLU A 22 -1.542 -13.229 1.986 1.00 0.00 C ATOM 288 O GLU A 22 -0.698 -13.704 2.744 1.00 0.00 O ATOM 289 CB GLU A 22 -1.583 -14.058 -0.375 1.00 0.00 C ATOM 290 CG GLU A 22 -3.081 -14.188 -0.592 1.00 0.00 C ATOM 291 CD GLU A 22 -3.454 -15.450 -1.345 1.00 0.00 C ATOM 292 OE1 GLU A 22 -3.018 -16.542 -0.925 1.00 0.00 O ATOM 293 OE2 GLU A 22 -4.182 -15.346 -2.354 1.00 0.00 O ATOM 0 H GLU A 22 0.664 -12.994 -0.428 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.758 -12.007 0.243 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.094 -13.930 -1.341 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.205 -14.986 0.053 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.586 -14.183 0.374 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.441 -13.320 -1.144 1.00 0.00 H new ATOM 300 N GLY A 23 -2.793 -12.978 2.362 1.00 0.00 N ATOM 301 CA GLY A 23 -3.230 -13.259 3.716 1.00 0.00 C ATOM 302 C GLY A 23 -2.858 -12.155 4.686 1.00 0.00 C ATOM 303 O GLY A 23 -3.675 -11.742 5.510 1.00 0.00 O ATOM 0 H GLY A 23 -3.511 -12.585 1.753 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.311 -13.397 3.724 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.787 -14.197 4.050 1.00 0.00 H new ATOM 307 N ASP A 24 -1.622 -11.678 4.591 1.00 0.00 N ATOM 308 CA ASP A 24 -1.143 -10.616 5.468 1.00 0.00 C ATOM 309 C ASP A 24 -2.002 -9.363 5.323 1.00 0.00 C ATOM 310 O ASP A 24 -3.016 -9.369 4.624 1.00 0.00 O ATOM 311 CB ASP A 24 0.318 -10.287 5.154 1.00 0.00 C ATOM 312 CG ASP A 24 1.054 -9.721 6.353 1.00 0.00 C ATOM 313 OD1 ASP A 24 0.575 -9.917 7.490 1.00 0.00 O ATOM 314 OD2 ASP A 24 2.109 -9.084 6.154 1.00 0.00 O ATOM 0 H ASP A 24 -0.933 -12.010 3.916 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.215 -10.967 6.497 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.825 -11.189 4.812 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.358 -9.569 4.335 1.00 0.00 H new ATOM 319 N THR A 25 -1.590 -8.289 5.990 1.00 0.00 N ATOM 320 CA THR A 25 -2.322 -7.030 5.938 1.00 0.00 C ATOM 321 C THR A 25 -1.484 -5.933 5.293 1.00 0.00 C ATOM 322 O THR A 25 -0.557 -5.404 5.908 1.00 0.00 O ATOM 323 CB THR A 25 -2.752 -6.572 7.345 1.00 0.00 C ATOM 324 OG1 THR A 25 -3.554 -7.583 7.965 1.00 0.00 O ATOM 325 CG2 THR A 25 -3.534 -5.269 7.274 1.00 0.00 C ATOM 0 H THR A 25 -0.753 -8.266 6.573 1.00 0.00 H new ATOM 0 HA THR A 25 -3.212 -7.206 5.333 1.00 0.00 H new ATOM 0 HB THR A 25 -1.854 -6.406 7.940 1.00 0.00 H new ATOM 0 HG1 THR A 25 -3.822 -7.285 8.859 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.827 -4.965 8.279 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.910 -4.494 6.828 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.426 -5.413 6.664 1.00 0.00 H new ATOM 333 N ALA A 26 -1.815 -5.594 4.052 1.00 0.00 N ATOM 334 CA ALA A 26 -1.093 -4.557 3.324 1.00 0.00 C ATOM 335 C ALA A 26 -1.169 -3.220 4.055 1.00 0.00 C ATOM 336 O ALA A 26 -2.256 -2.722 4.349 1.00 0.00 O ATOM 337 CB ALA A 26 -1.645 -4.421 1.913 1.00 0.00 C ATOM 0 H ALA A 26 -2.579 -6.022 3.529 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.045 -4.851 3.265 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.097 -3.643 1.381 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.534 -5.369 1.386 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.701 -4.153 1.959 1.00 0.00 H new ATOM 343 N THR A 27 -0.007 -2.644 4.346 1.00 0.00 N ATOM 344 CA THR A 27 0.058 -1.366 5.044 1.00 0.00 C ATOM 345 C THR A 27 0.886 -0.353 4.261 1.00 0.00 C ATOM 346 O THR A 27 2.115 -0.422 4.245 1.00 0.00 O ATOM 347 CB THR A 27 0.660 -1.525 6.453 1.00 0.00 C ATOM 348 OG1 THR A 27 -0.142 -2.421 7.230 1.00 0.00 O ATOM 349 CG2 THR A 27 0.754 -0.180 7.157 1.00 0.00 C ATOM 0 H THR A 27 0.902 -3.042 4.109 1.00 0.00 H new ATOM 0 HA THR A 27 -0.966 -1.003 5.133 1.00 0.00 H new ATOM 0 HB THR A 27 1.665 -1.934 6.350 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.150 -3.304 6.806 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.182 -0.318 8.150 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.389 0.490 6.578 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.242 0.253 7.248 1.00 0.00 H new ATOM 357 N LEU A 28 0.205 0.586 3.614 1.00 0.00 N ATOM 358 CA LEU A 28 0.878 1.614 2.828 1.00 0.00 C ATOM 359 C LEU A 28 0.842 2.959 3.547 1.00 0.00 C ATOM 360 O LEU A 28 -0.079 3.240 4.313 1.00 0.00 O ATOM 361 CB LEU A 28 0.225 1.742 1.451 1.00 0.00 C ATOM 362 CG LEU A 28 0.506 0.606 0.467 1.00 0.00 C ATOM 363 CD1 LEU A 28 -0.539 -0.490 0.604 1.00 0.00 C ATOM 364 CD2 LEU A 28 0.544 1.134 -0.960 1.00 0.00 C ATOM 0 H LEU A 28 -0.813 0.657 3.618 1.00 0.00 H new ATOM 0 HA LEU A 28 1.919 1.317 2.703 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.854 1.819 1.588 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.556 2.677 0.999 1.00 0.00 H new ATOM 0 HG LEU A 28 1.482 0.180 0.702 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.322 -1.290 -0.104 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.518 -0.888 1.618 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.527 -0.079 0.396 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.745 0.312 -1.647 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.417 1.586 -1.206 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.331 1.883 -1.050 1.00 0.00 H new ATOM 376 N TRP A 29 1.850 3.787 3.294 1.00 0.00 N ATOM 377 CA TRP A 29 1.932 5.104 3.915 1.00 0.00 C ATOM 378 C TRP A 29 2.571 6.114 2.969 1.00 0.00 C ATOM 379 O TRP A 29 3.364 5.748 2.100 1.00 0.00 O ATOM 380 CB TRP A 29 2.733 5.027 5.216 1.00 0.00 C ATOM 381 CG TRP A 29 4.214 4.940 4.997 1.00 0.00 C ATOM 382 CD1 TRP A 29 4.940 3.812 4.742 1.00 0.00 C ATOM 383 CD2 TRP A 29 5.148 6.025 5.017 1.00 0.00 C ATOM 384 NE1 TRP A 29 6.269 4.130 4.601 1.00 0.00 N ATOM 385 CE2 TRP A 29 6.423 5.482 4.765 1.00 0.00 C ATOM 386 CE3 TRP A 29 5.031 7.403 5.220 1.00 0.00 C ATOM 387 CZ2 TRP A 29 7.570 6.269 4.713 1.00 0.00 C ATOM 388 CZ3 TRP A 29 6.171 8.182 5.169 1.00 0.00 C ATOM 389 CH2 TRP A 29 7.426 7.614 4.916 1.00 0.00 C ATOM 0 H TRP A 29 2.622 3.569 2.663 1.00 0.00 H new ATOM 0 HA TRP A 29 0.918 5.436 4.139 1.00 0.00 H new ATOM 0 HB2 TRP A 29 2.513 5.906 5.822 1.00 0.00 H new ATOM 0 HB3 TRP A 29 2.405 4.157 5.785 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.530 2.816 4.663 1.00 0.00 H new ATOM 0 HE1 TRP A 29 7.019 3.467 4.406 1.00 0.00 H new ATOM 0 HE3 TRP A 29 4.067 7.851 5.413 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 8.539 5.833 4.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 6.093 9.248 5.327 1.00 0.00 H new ATOM 0 HH2 TRP A 29 8.298 8.251 4.880 1.00 0.00 H new ATOM 400 N CYS A 30 2.221 7.383 3.141 1.00 0.00 N ATOM 401 CA CYS A 30 2.761 8.446 2.301 1.00 0.00 C ATOM 402 C CYS A 30 2.837 9.761 3.069 1.00 0.00 C ATOM 403 O CYS A 30 1.862 10.186 3.688 1.00 0.00 O ATOM 404 CB CYS A 30 1.900 8.622 1.049 1.00 0.00 C ATOM 405 SG CYS A 30 0.283 9.368 1.364 1.00 0.00 S ATOM 0 H CYS A 30 1.565 7.701 3.855 1.00 0.00 H new ATOM 0 HA CYS A 30 3.770 8.162 2.003 1.00 0.00 H new ATOM 0 HB2 CYS A 30 2.441 9.241 0.333 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.754 7.648 0.582 1.00 0.00 H new ATOM 0 HG CYS A 30 -0.079 10.071 0.332 1.00 0.00 H new ATOM 411 N GLU A 31 4.002 10.400 3.026 1.00 0.00 N ATOM 412 CA GLU A 31 4.205 11.666 3.721 1.00 0.00 C ATOM 413 C GLU A 31 3.456 12.796 3.022 1.00 0.00 C ATOM 414 O GLU A 31 3.357 12.825 1.794 1.00 0.00 O ATOM 415 CB GLU A 31 5.696 11.998 3.797 1.00 0.00 C ATOM 416 CG GLU A 31 5.987 13.353 4.419 1.00 0.00 C ATOM 417 CD GLU A 31 7.353 13.413 5.076 1.00 0.00 C ATOM 418 OE1 GLU A 31 7.857 12.350 5.495 1.00 0.00 O ATOM 419 OE2 GLU A 31 7.917 14.523 5.170 1.00 0.00 O ATOM 0 H GLU A 31 4.819 10.062 2.518 1.00 0.00 H new ATOM 0 HA GLU A 31 3.811 11.563 4.732 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.202 11.226 4.376 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.117 11.971 2.792 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.924 14.123 3.650 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.221 13.580 5.161 1.00 0.00 H new ATOM 426 N LEU A 32 2.929 13.726 3.811 1.00 0.00 N ATOM 427 CA LEU A 32 2.188 14.860 3.269 1.00 0.00 C ATOM 428 C LEU A 32 2.914 16.171 3.553 1.00 0.00 C ATOM 429 O LEU A 32 3.695 16.267 4.499 1.00 0.00 O ATOM 430 CB LEU A 32 0.779 14.905 3.864 1.00 0.00 C ATOM 431 CG LEU A 32 -0.267 15.671 3.054 1.00 0.00 C ATOM 432 CD1 LEU A 32 -0.321 15.154 1.625 1.00 0.00 C ATOM 433 CD2 LEU A 32 -1.634 15.565 3.714 1.00 0.00 C ATOM 0 H LEU A 32 3.001 13.717 4.828 1.00 0.00 H new ATOM 0 HA LEU A 32 2.116 14.733 2.189 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.429 13.881 3.996 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.839 15.352 4.856 1.00 0.00 H new ATOM 0 HG LEU A 32 0.021 16.722 3.027 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.071 15.712 1.064 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.654 15.283 1.154 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.584 14.096 1.630 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.367 16.116 3.124 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.929 14.517 3.773 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.587 15.986 4.718 1.00 0.00 H new ATOM 445 N SER A 33 2.649 17.178 2.727 1.00 0.00 N ATOM 446 CA SER A 33 3.279 18.484 2.888 1.00 0.00 C ATOM 447 C SER A 33 2.718 19.211 4.107 1.00 0.00 C ATOM 448 O SER A 33 3.423 19.970 4.771 1.00 0.00 O ATOM 449 CB SER A 33 3.070 19.333 1.633 1.00 0.00 C ATOM 450 OG SER A 33 1.849 20.049 1.698 1.00 0.00 O ATOM 0 H SER A 33 2.003 17.115 1.940 1.00 0.00 H new ATOM 0 HA SER A 33 4.347 18.329 3.039 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.899 20.032 1.521 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.072 18.691 0.752 1.00 0.00 H new ATOM 0 HG SER A 33 1.813 20.702 0.968 1.00 0.00 H new ATOM 456 N LYS A 34 1.442 18.974 4.394 1.00 0.00 N ATOM 457 CA LYS A 34 0.784 19.604 5.532 1.00 0.00 C ATOM 458 C LYS A 34 -0.325 18.712 6.081 1.00 0.00 C ATOM 459 O LYS A 34 -1.178 18.234 5.333 1.00 0.00 O ATOM 460 CB LYS A 34 0.207 20.962 5.126 1.00 0.00 C ATOM 461 CG LYS A 34 -0.940 20.864 4.135 1.00 0.00 C ATOM 462 CD LYS A 34 -2.281 20.757 4.843 1.00 0.00 C ATOM 463 CE LYS A 34 -2.822 22.127 5.222 1.00 0.00 C ATOM 464 NZ LYS A 34 -4.282 22.087 5.511 1.00 0.00 N ATOM 0 H LYS A 34 0.843 18.350 3.854 1.00 0.00 H new ATOM 0 HA LYS A 34 1.528 19.752 6.314 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.139 21.482 6.019 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.001 21.569 4.691 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.938 21.741 3.487 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.795 19.994 3.494 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.996 20.249 4.196 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.173 20.147 5.740 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.289 22.498 6.097 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.632 22.830 4.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.612 23.040 5.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.794 21.757 4.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.462 21.436 6.302 1.00 0.00 H new ATOM 478 N ALA A 35 -0.308 18.493 7.392 1.00 0.00 N ATOM 479 CA ALA A 35 -1.314 17.662 8.040 1.00 0.00 C ATOM 480 C ALA A 35 -2.713 17.992 7.529 1.00 0.00 C ATOM 481 O ALA A 35 -3.232 19.081 7.772 1.00 0.00 O ATOM 482 CB ALA A 35 -1.249 17.835 9.551 1.00 0.00 C ATOM 0 H ALA A 35 0.392 18.880 8.026 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.102 16.622 7.794 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.006 17.208 10.022 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.262 17.542 9.909 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.432 18.879 9.806 1.00 0.00 H new ATOM 488 N ALA A 36 -3.316 17.045 6.818 1.00 0.00 N ATOM 489 CA ALA A 36 -4.655 17.235 6.273 1.00 0.00 C ATOM 490 C ALA A 36 -5.362 15.899 6.076 1.00 0.00 C ATOM 491 O ALA A 36 -4.733 14.854 5.909 1.00 0.00 O ATOM 492 CB ALA A 36 -4.586 17.997 4.957 1.00 0.00 C ATOM 0 H ALA A 36 -2.899 16.139 6.606 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.232 17.820 6.989 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.593 18.132 4.561 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.129 18.972 5.125 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.987 17.434 4.241 1.00 0.00 H new ATOM 498 N PRO A 37 -6.703 15.930 6.096 1.00 0.00 N ATOM 499 CA PRO A 37 -7.525 14.729 5.922 1.00 0.00 C ATOM 500 C PRO A 37 -7.462 14.185 4.499 1.00 0.00 C ATOM 501 O PRO A 37 -8.227 14.603 3.629 1.00 0.00 O ATOM 502 CB PRO A 37 -8.940 15.217 6.245 1.00 0.00 C ATOM 503 CG PRO A 37 -8.911 16.679 5.956 1.00 0.00 C ATOM 504 CD PRO A 37 -7.520 17.140 6.291 1.00 0.00 C ATOM 0 HA PRO A 37 -7.187 13.909 6.556 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.684 14.707 5.633 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.197 15.024 7.286 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -9.145 16.875 4.910 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -9.652 17.210 6.553 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -7.198 17.952 5.639 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.454 17.508 7.315 1.00 0.00 H new ATOM 512 N VAL A 38 -6.546 13.250 4.268 1.00 0.00 N ATOM 513 CA VAL A 38 -6.384 12.647 2.950 1.00 0.00 C ATOM 514 C VAL A 38 -7.436 11.571 2.705 1.00 0.00 C ATOM 515 O VAL A 38 -8.019 11.034 3.647 1.00 0.00 O ATOM 516 CB VAL A 38 -4.984 12.028 2.784 1.00 0.00 C ATOM 517 CG1 VAL A 38 -3.905 13.065 3.059 1.00 0.00 C ATOM 518 CG2 VAL A 38 -4.822 10.824 3.700 1.00 0.00 C ATOM 0 H VAL A 38 -5.905 12.893 4.976 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.508 13.446 2.219 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.876 11.690 1.753 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.923 12.609 2.937 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.010 13.894 2.359 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.008 13.436 4.079 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.827 10.399 3.570 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.951 11.136 4.737 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.572 10.074 3.451 1.00 0.00 H new ATOM 528 N GLU A 39 -7.673 11.261 1.435 1.00 0.00 N ATOM 529 CA GLU A 39 -8.655 10.248 1.066 1.00 0.00 C ATOM 530 C GLU A 39 -8.035 9.195 0.152 1.00 0.00 C ATOM 531 O GLU A 39 -7.365 9.525 -0.827 1.00 0.00 O ATOM 532 CB GLU A 39 -9.855 10.897 0.374 1.00 0.00 C ATOM 533 CG GLU A 39 -10.925 9.904 -0.048 1.00 0.00 C ATOM 534 CD GLU A 39 -12.065 10.561 -0.801 1.00 0.00 C ATOM 535 OE1 GLU A 39 -11.882 10.885 -1.993 1.00 0.00 O ATOM 536 OE2 GLU A 39 -13.142 10.751 -0.198 1.00 0.00 O ATOM 0 H GLU A 39 -7.199 11.697 0.644 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.993 9.758 1.979 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.298 11.632 1.047 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.507 11.439 -0.505 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.475 9.135 -0.676 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.319 9.403 0.836 1.00 0.00 H new ATOM 543 N TRP A 40 -8.262 7.928 0.479 1.00 0.00 N ATOM 544 CA TRP A 40 -7.725 6.827 -0.312 1.00 0.00 C ATOM 545 C TRP A 40 -8.774 6.290 -1.280 1.00 0.00 C ATOM 546 O TRP A 40 -9.975 6.417 -1.042 1.00 0.00 O ATOM 547 CB TRP A 40 -7.238 5.704 0.604 1.00 0.00 C ATOM 548 CG TRP A 40 -6.107 6.116 1.499 1.00 0.00 C ATOM 549 CD1 TRP A 40 -6.164 7.003 2.535 1.00 0.00 C ATOM 550 CD2 TRP A 40 -4.753 5.657 1.434 1.00 0.00 C ATOM 551 NE1 TRP A 40 -4.926 7.124 3.119 1.00 0.00 N ATOM 552 CE2 TRP A 40 -4.043 6.308 2.462 1.00 0.00 C ATOM 553 CE3 TRP A 40 -4.070 4.759 0.609 1.00 0.00 C ATOM 554 CZ2 TRP A 40 -2.686 6.088 2.684 1.00 0.00 C ATOM 555 CZ3 TRP A 40 -2.724 4.543 0.830 1.00 0.00 C ATOM 556 CH2 TRP A 40 -2.043 5.204 1.861 1.00 0.00 C ATOM 0 H TRP A 40 -8.814 7.638 1.286 1.00 0.00 H new ATOM 0 HA TRP A 40 -6.883 7.206 -0.891 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -8.070 5.358 1.217 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -6.920 4.859 -0.007 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -7.052 7.532 2.849 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.701 7.724 3.913 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -4.586 4.243 -0.187 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -2.160 6.597 3.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.187 3.852 0.197 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -0.991 5.012 2.009 1.00 0.00 H new ATOM 567 N ARG A 41 -8.313 5.691 -2.373 1.00 0.00 N ATOM 568 CA ARG A 41 -9.212 5.136 -3.378 1.00 0.00 C ATOM 569 C ARG A 41 -8.651 3.838 -3.952 1.00 0.00 C ATOM 570 O ARG A 41 -7.465 3.748 -4.268 1.00 0.00 O ATOM 571 CB ARG A 41 -9.441 6.147 -4.502 1.00 0.00 C ATOM 572 CG ARG A 41 -10.102 7.435 -4.039 1.00 0.00 C ATOM 573 CD ARG A 41 -9.950 8.542 -5.070 1.00 0.00 C ATOM 574 NE ARG A 41 -11.007 8.502 -6.076 1.00 0.00 N ATOM 575 CZ ARG A 41 -10.967 7.727 -7.154 1.00 0.00 C ATOM 576 NH1 ARG A 41 -9.928 6.930 -7.363 1.00 0.00 N ATOM 577 NH2 ARG A 41 -11.968 7.746 -8.024 1.00 0.00 N ATOM 0 H ARG A 41 -7.322 5.578 -2.585 1.00 0.00 H new ATOM 0 HA ARG A 41 -10.165 4.918 -2.896 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.483 6.386 -4.964 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -10.061 5.687 -5.272 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.160 7.255 -3.851 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.660 7.753 -3.095 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -9.964 9.509 -4.568 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -8.980 8.451 -5.559 1.00 0.00 H new ATOM 0 HE ARG A 41 -11.821 9.102 -5.944 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -9.157 6.911 -6.695 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.900 6.336 -8.192 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -12.770 8.356 -7.866 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.936 7.150 -8.851 1.00 0.00 H new ATOM 591 N LYS A 42 -9.512 2.835 -4.084 1.00 0.00 N ATOM 592 CA LYS A 42 -9.105 1.542 -4.621 1.00 0.00 C ATOM 593 C LYS A 42 -9.727 1.302 -5.993 1.00 0.00 C ATOM 594 O LYS A 42 -10.772 0.662 -6.108 1.00 0.00 O ATOM 595 CB LYS A 42 -9.508 0.419 -3.663 1.00 0.00 C ATOM 596 CG LYS A 42 -9.119 -0.966 -4.151 1.00 0.00 C ATOM 597 CD LYS A 42 -9.645 -2.051 -3.226 1.00 0.00 C ATOM 598 CE LYS A 42 -9.453 -3.435 -3.825 1.00 0.00 C ATOM 599 NZ LYS A 42 -10.367 -3.674 -4.977 1.00 0.00 N ATOM 0 H LYS A 42 -10.497 2.893 -3.826 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.020 1.547 -4.729 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -9.044 0.597 -2.693 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -10.587 0.452 -3.511 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.511 -1.122 -5.156 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.033 -1.038 -4.217 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.130 -1.994 -2.267 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.704 -1.882 -3.030 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.419 -3.549 -4.152 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.630 -4.190 -3.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.380 -4.689 -5.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.328 -3.363 -4.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.033 -3.137 -5.803 1.00 0.00 H new ATOM 613 N GLY A 43 -9.077 1.819 -7.031 1.00 0.00 N ATOM 614 CA GLY A 43 -9.581 1.648 -8.381 1.00 0.00 C ATOM 615 C GLY A 43 -10.705 2.612 -8.707 1.00 0.00 C ATOM 616 O GLY A 43 -10.503 3.826 -8.738 1.00 0.00 O ATOM 0 H GLY A 43 -8.211 2.353 -6.961 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.766 1.792 -9.091 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.936 0.625 -8.506 1.00 0.00 H new ATOM 620 N HIS A 44 -11.895 2.071 -8.951 1.00 0.00 N ATOM 621 CA HIS A 44 -13.056 2.891 -9.276 1.00 0.00 C ATOM 622 C HIS A 44 -13.976 3.035 -8.068 1.00 0.00 C ATOM 623 O HIS A 44 -15.198 2.968 -8.196 1.00 0.00 O ATOM 624 CB HIS A 44 -13.825 2.281 -10.448 1.00 0.00 C ATOM 625 CG HIS A 44 -13.312 2.708 -11.789 1.00 0.00 C ATOM 626 ND1 HIS A 44 -14.101 2.745 -12.920 1.00 0.00 N ATOM 627 CD2 HIS A 44 -12.082 3.119 -12.176 1.00 0.00 C ATOM 628 CE1 HIS A 44 -13.378 3.159 -13.945 1.00 0.00 C ATOM 629 NE2 HIS A 44 -12.149 3.393 -13.520 1.00 0.00 N ATOM 0 H HIS A 44 -12.080 1.068 -8.930 1.00 0.00 H new ATOM 0 HA HIS A 44 -12.702 3.882 -9.560 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -13.775 1.194 -10.378 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -14.876 2.558 -10.365 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -11.210 3.214 -11.545 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -13.731 3.285 -14.958 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -11.375 3.724 -14.097 1.00 0.00 H new ATOM 638 N GLU A 45 -13.380 3.231 -6.896 1.00 0.00 N ATOM 639 CA GLU A 45 -14.147 3.382 -5.665 1.00 0.00 C ATOM 640 C GLU A 45 -13.306 4.045 -4.578 1.00 0.00 C ATOM 641 O GLU A 45 -12.079 3.938 -4.573 1.00 0.00 O ATOM 642 CB GLU A 45 -14.647 2.020 -5.179 1.00 0.00 C ATOM 643 CG GLU A 45 -15.853 2.107 -4.260 1.00 0.00 C ATOM 644 CD GLU A 45 -16.214 0.771 -3.641 1.00 0.00 C ATOM 645 OE1 GLU A 45 -16.392 -0.205 -4.401 1.00 0.00 O ATOM 646 OE2 GLU A 45 -16.317 0.700 -2.399 1.00 0.00 O ATOM 0 H GLU A 45 -12.369 3.289 -6.773 1.00 0.00 H new ATOM 0 HA GLU A 45 -15.004 4.021 -5.877 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.903 1.407 -6.043 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.838 1.511 -4.655 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.650 2.827 -3.467 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.707 2.485 -4.822 1.00 0.00 H new ATOM 653 N THR A 46 -13.974 4.731 -3.656 1.00 0.00 N ATOM 654 CA THR A 46 -13.290 5.413 -2.565 1.00 0.00 C ATOM 655 C THR A 46 -13.266 4.552 -1.308 1.00 0.00 C ATOM 656 O THR A 46 -14.313 4.150 -0.798 1.00 0.00 O ATOM 657 CB THR A 46 -13.960 6.761 -2.237 1.00 0.00 C ATOM 658 OG1 THR A 46 -14.033 7.571 -3.416 1.00 0.00 O ATOM 659 CG2 THR A 46 -13.187 7.500 -1.155 1.00 0.00 C ATOM 0 H THR A 46 -14.989 4.829 -3.643 1.00 0.00 H new ATOM 0 HA THR A 46 -12.268 5.595 -2.898 1.00 0.00 H new ATOM 0 HB THR A 46 -14.967 6.562 -1.870 1.00 0.00 H new ATOM 0 HG1 THR A 46 -14.462 8.425 -3.200 1.00 0.00 H new ATOM 0 HG21 THR A 46 -13.679 8.449 -0.940 1.00 0.00 H new ATOM 0 HG22 THR A 46 -13.158 6.893 -0.250 1.00 0.00 H new ATOM 0 HG23 THR A 46 -12.170 7.688 -1.499 1.00 0.00 H new ATOM 667 N LEU A 47 -12.067 4.271 -0.811 1.00 0.00 N ATOM 668 CA LEU A 47 -11.906 3.457 0.389 1.00 0.00 C ATOM 669 C LEU A 47 -12.550 4.133 1.595 1.00 0.00 C ATOM 670 O LEU A 47 -12.623 5.360 1.666 1.00 0.00 O ATOM 671 CB LEU A 47 -10.423 3.204 0.663 1.00 0.00 C ATOM 672 CG LEU A 47 -9.735 2.189 -0.251 1.00 0.00 C ATOM 673 CD1 LEU A 47 -8.273 2.029 0.134 1.00 0.00 C ATOM 674 CD2 LEU A 47 -10.453 0.848 -0.194 1.00 0.00 C ATOM 0 H LEU A 47 -11.191 4.595 -1.221 1.00 0.00 H new ATOM 0 HA LEU A 47 -12.405 2.503 0.221 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.892 4.153 0.583 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.317 2.865 1.694 1.00 0.00 H new ATOM 0 HG LEU A 47 -9.781 2.561 -1.275 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.800 1.303 -0.527 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.765 2.989 0.041 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.204 1.680 1.164 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -9.950 0.138 -0.850 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.438 0.471 0.828 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -11.486 0.974 -0.519 1.00 0.00 H new ATOM 686 N ARG A 48 -13.013 3.325 2.543 1.00 0.00 N ATOM 687 CA ARG A 48 -13.649 3.844 3.747 1.00 0.00 C ATOM 688 C ARG A 48 -13.421 2.908 4.930 1.00 0.00 C ATOM 689 O ARG A 48 -13.505 1.687 4.794 1.00 0.00 O ATOM 690 CB ARG A 48 -15.149 4.035 3.516 1.00 0.00 C ATOM 691 CG ARG A 48 -15.475 4.871 2.289 1.00 0.00 C ATOM 692 CD ARG A 48 -16.973 5.087 2.144 1.00 0.00 C ATOM 693 NE ARG A 48 -17.369 5.252 0.748 1.00 0.00 N ATOM 694 CZ ARG A 48 -18.598 5.017 0.300 1.00 0.00 C ATOM 695 NH1 ARG A 48 -19.544 4.609 1.134 1.00 0.00 N ATOM 696 NH2 ARG A 48 -18.881 5.190 -0.985 1.00 0.00 N ATOM 0 H ARG A 48 -12.959 2.307 2.500 1.00 0.00 H new ATOM 0 HA ARG A 48 -13.198 4.809 3.978 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -15.620 3.057 3.414 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -15.586 4.509 4.395 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -14.972 5.836 2.361 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -15.090 4.376 1.397 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -17.505 4.238 2.574 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -17.269 5.969 2.712 1.00 0.00 H new ATOM 0 HE ARG A 48 -16.664 5.565 0.080 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -19.330 4.475 2.122 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -20.486 4.429 0.788 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -18.155 5.503 -1.629 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -19.824 5.009 -1.328 1.00 0.00 H new ATOM 710 N ASP A 49 -13.131 3.488 6.090 1.00 0.00 N ATOM 711 CA ASP A 49 -12.891 2.706 7.297 1.00 0.00 C ATOM 712 C ASP A 49 -14.086 1.811 7.611 1.00 0.00 C ATOM 713 O ASP A 49 -15.177 2.296 7.905 1.00 0.00 O ATOM 714 CB ASP A 49 -12.606 3.631 8.481 1.00 0.00 C ATOM 715 CG ASP A 49 -12.021 2.889 9.667 1.00 0.00 C ATOM 716 OD1 ASP A 49 -11.496 1.773 9.469 1.00 0.00 O ATOM 717 OD2 ASP A 49 -12.087 3.425 10.793 1.00 0.00 O ATOM 0 H ASP A 49 -13.057 4.497 6.220 1.00 0.00 H new ATOM 0 HA ASP A 49 -12.021 2.073 7.123 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -11.915 4.414 8.169 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -13.530 4.124 8.784 1.00 0.00 H new ATOM 722 N GLY A 50 -13.871 0.500 7.545 1.00 0.00 N ATOM 723 CA GLY A 50 -14.939 -0.442 7.823 1.00 0.00 C ATOM 724 C GLY A 50 -14.497 -1.565 8.740 1.00 0.00 C ATOM 725 O GLY A 50 -14.417 -1.389 9.956 1.00 0.00 O ATOM 0 H GLY A 50 -12.976 0.074 7.304 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -15.776 0.087 8.279 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -15.301 -0.864 6.885 1.00 0.00 H new ATOM 729 N ASP A 51 -14.210 -2.724 8.157 1.00 0.00 N ATOM 730 CA ASP A 51 -13.775 -3.882 8.930 1.00 0.00 C ATOM 731 C ASP A 51 -12.434 -4.402 8.421 1.00 0.00 C ATOM 732 O ASP A 51 -11.529 -4.687 9.205 1.00 0.00 O ATOM 733 CB ASP A 51 -14.825 -4.991 8.862 1.00 0.00 C ATOM 734 CG ASP A 51 -16.080 -4.649 9.641 1.00 0.00 C ATOM 735 OD1 ASP A 51 -16.030 -4.679 10.888 1.00 0.00 O ATOM 736 OD2 ASP A 51 -17.112 -4.352 9.003 1.00 0.00 O ATOM 0 H ASP A 51 -14.271 -2.887 7.152 1.00 0.00 H new ATOM 0 HA ASP A 51 -13.654 -3.571 9.968 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -15.087 -5.176 7.820 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -14.399 -5.915 9.253 1.00 0.00 H new ATOM 741 N ARG A 52 -12.314 -4.523 7.102 1.00 0.00 N ATOM 742 CA ARG A 52 -11.085 -5.011 6.489 1.00 0.00 C ATOM 743 C ARG A 52 -10.313 -3.869 5.835 1.00 0.00 C ATOM 744 O ARG A 52 -9.596 -4.072 4.854 1.00 0.00 O ATOM 745 CB ARG A 52 -11.401 -6.088 5.450 1.00 0.00 C ATOM 746 CG ARG A 52 -11.777 -7.430 6.058 1.00 0.00 C ATOM 747 CD ARG A 52 -13.263 -7.502 6.371 1.00 0.00 C ATOM 748 NE ARG A 52 -14.058 -7.813 5.185 1.00 0.00 N ATOM 749 CZ ARG A 52 -15.382 -7.921 5.196 1.00 0.00 C ATOM 750 NH1 ARG A 52 -16.056 -7.744 6.324 1.00 0.00 N ATOM 751 NH2 ARG A 52 -16.034 -8.206 4.076 1.00 0.00 N ATOM 0 H ARG A 52 -13.053 -4.290 6.439 1.00 0.00 H new ATOM 0 HA ARG A 52 -10.464 -5.444 7.274 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.220 -5.743 4.819 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -10.534 -6.222 4.803 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.510 -8.231 5.368 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -11.203 -7.591 6.971 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -13.437 -8.262 7.133 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -13.592 -6.550 6.789 1.00 0.00 H new ATOM 0 HE ARG A 52 -13.570 -7.955 4.301 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -15.558 -7.524 7.187 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -17.073 -7.828 6.329 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -15.519 -8.342 3.206 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -17.051 -8.289 4.085 1.00 0.00 H new ATOM 765 N HIS A 53 -10.466 -2.668 6.383 1.00 0.00 N ATOM 766 CA HIS A 53 -9.784 -1.493 5.853 1.00 0.00 C ATOM 767 C HIS A 53 -9.753 -0.370 6.886 1.00 0.00 C ATOM 768 O HIS A 53 -10.720 -0.159 7.617 1.00 0.00 O ATOM 769 CB HIS A 53 -10.473 -1.009 4.577 1.00 0.00 C ATOM 770 CG HIS A 53 -10.123 -1.815 3.364 1.00 0.00 C ATOM 771 ND1 HIS A 53 -10.984 -2.728 2.794 1.00 0.00 N ATOM 772 CD2 HIS A 53 -8.998 -1.840 2.612 1.00 0.00 C ATOM 773 CE1 HIS A 53 -10.403 -3.281 1.744 1.00 0.00 C ATOM 774 NE2 HIS A 53 -9.198 -2.759 1.612 1.00 0.00 N ATOM 0 H HIS A 53 -11.056 -2.483 7.194 1.00 0.00 H new ATOM 0 HA HIS A 53 -8.758 -1.775 5.618 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -11.553 -1.039 4.723 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.204 0.032 4.401 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -11.923 -2.943 3.130 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -8.109 -1.248 2.769 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -10.840 -4.032 1.103 1.00 0.00 H new ATOM 783 N SER A 54 -8.635 0.346 6.940 1.00 0.00 N ATOM 784 CA SER A 54 -8.476 1.444 7.887 1.00 0.00 C ATOM 785 C SER A 54 -7.827 2.651 7.216 1.00 0.00 C ATOM 786 O SER A 54 -6.782 2.532 6.575 1.00 0.00 O ATOM 787 CB SER A 54 -7.633 0.997 9.083 1.00 0.00 C ATOM 788 OG SER A 54 -7.424 2.067 9.988 1.00 0.00 O ATOM 0 H SER A 54 -7.826 0.186 6.340 1.00 0.00 H new ATOM 0 HA SER A 54 -9.466 1.734 8.238 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.131 0.175 9.596 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.672 0.619 8.734 1.00 0.00 H new ATOM 0 HG SER A 54 -6.884 1.755 10.744 1.00 0.00 H new ATOM 794 N LEU A 55 -8.455 3.812 7.367 1.00 0.00 N ATOM 795 CA LEU A 55 -7.940 5.043 6.775 1.00 0.00 C ATOM 796 C LEU A 55 -7.709 6.105 7.845 1.00 0.00 C ATOM 797 O LEU A 55 -8.651 6.744 8.313 1.00 0.00 O ATOM 798 CB LEU A 55 -8.912 5.569 5.718 1.00 0.00 C ATOM 799 CG LEU A 55 -9.239 4.613 4.571 1.00 0.00 C ATOM 800 CD1 LEU A 55 -10.449 3.759 4.917 1.00 0.00 C ATOM 801 CD2 LEU A 55 -9.481 5.387 3.284 1.00 0.00 C ATOM 0 H LEU A 55 -9.321 3.927 7.894 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.985 4.818 6.300 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.844 5.842 6.214 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.497 6.484 5.295 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.385 3.953 4.419 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.667 3.085 4.089 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -10.239 3.176 5.814 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -11.310 4.403 5.097 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.712 4.690 2.478 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.318 6.072 3.423 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.587 5.955 3.027 1.00 0.00 H new ATOM 813 N ARG A 56 -6.449 6.291 8.225 1.00 0.00 N ATOM 814 CA ARG A 56 -6.093 7.277 9.238 1.00 0.00 C ATOM 815 C ARG A 56 -4.758 7.937 8.909 1.00 0.00 C ATOM 816 O ARG A 56 -3.913 7.348 8.236 1.00 0.00 O ATOM 817 CB ARG A 56 -6.024 6.620 10.618 1.00 0.00 C ATOM 818 CG ARG A 56 -5.337 5.264 10.612 1.00 0.00 C ATOM 819 CD ARG A 56 -4.918 4.846 12.013 1.00 0.00 C ATOM 820 NE ARG A 56 -3.737 5.573 12.472 1.00 0.00 N ATOM 821 CZ ARG A 56 -3.000 5.196 13.510 1.00 0.00 C ATOM 822 NH1 ARG A 56 -3.320 4.106 14.194 1.00 0.00 N ATOM 823 NH2 ARG A 56 -1.940 5.910 13.866 1.00 0.00 N ATOM 0 H ARG A 56 -5.657 5.771 7.846 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.866 8.046 9.248 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.494 7.284 11.301 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.036 6.504 11.007 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.010 4.516 10.194 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.461 5.302 9.965 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.742 5.020 12.705 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.712 3.776 12.025 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.464 6.416 11.967 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.134 3.555 13.923 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.752 3.819 14.991 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.691 6.749 13.342 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.374 5.620 14.664 1.00 0.00 H new ATOM 837 N GLN A 57 -4.576 9.164 9.388 1.00 0.00 N ATOM 838 CA GLN A 57 -3.344 9.904 9.144 1.00 0.00 C ATOM 839 C GLN A 57 -2.992 10.785 10.338 1.00 0.00 C ATOM 840 O GLN A 57 -3.873 11.237 11.069 1.00 0.00 O ATOM 841 CB GLN A 57 -3.481 10.762 7.885 1.00 0.00 C ATOM 842 CG GLN A 57 -4.242 12.058 8.111 1.00 0.00 C ATOM 843 CD GLN A 57 -3.335 13.206 8.507 1.00 0.00 C ATOM 844 OE1 GLN A 57 -3.091 13.440 9.691 1.00 0.00 O ATOM 845 NE2 GLN A 57 -2.830 13.930 7.515 1.00 0.00 N ATOM 0 H GLN A 57 -5.266 9.666 9.947 1.00 0.00 H new ATOM 0 HA GLN A 57 -2.540 9.183 8.999 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -2.487 10.996 7.505 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -3.988 10.182 7.114 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -4.780 12.322 7.201 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -4.989 11.905 8.890 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -3.059 13.700 6.548 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -2.213 14.716 7.720 1.00 0.00 H new ATOM 854 N ASP A 58 -1.700 11.025 10.529 1.00 0.00 N ATOM 855 CA ASP A 58 -1.231 11.853 11.635 1.00 0.00 C ATOM 856 C ASP A 58 -0.022 12.683 11.217 1.00 0.00 C ATOM 857 O ASP A 58 0.816 12.231 10.438 1.00 0.00 O ATOM 858 CB ASP A 58 -0.875 10.979 12.839 1.00 0.00 C ATOM 859 CG ASP A 58 -1.088 11.696 14.157 1.00 0.00 C ATOM 860 OD1 ASP A 58 -0.372 12.686 14.417 1.00 0.00 O ATOM 861 OD2 ASP A 58 -1.971 11.267 14.930 1.00 0.00 O ATOM 0 H ASP A 58 -0.958 10.658 9.933 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.036 12.533 11.915 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.481 10.073 12.819 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.167 10.667 12.763 1.00 0.00 H new ATOM 866 N GLY A 59 0.062 13.903 11.741 1.00 0.00 N ATOM 867 CA GLY A 59 1.172 14.778 11.409 1.00 0.00 C ATOM 868 C GLY A 59 1.647 14.596 9.981 1.00 0.00 C ATOM 869 O GLY A 59 2.767 14.145 9.745 1.00 0.00 O ATOM 0 H GLY A 59 -0.618 14.300 12.389 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.871 15.815 11.559 1.00 0.00 H new ATOM 0 HA3 GLY A 59 2.000 14.585 12.091 1.00 0.00 H new ATOM 873 N SER A 60 0.792 14.948 9.026 1.00 0.00 N ATOM 874 CA SER A 60 1.128 14.816 7.613 1.00 0.00 C ATOM 875 C SER A 60 1.631 13.410 7.303 1.00 0.00 C ATOM 876 O SER A 60 2.551 13.229 6.505 1.00 0.00 O ATOM 877 CB SER A 60 2.189 15.847 7.222 1.00 0.00 C ATOM 878 OG SER A 60 1.847 17.137 7.698 1.00 0.00 O ATOM 0 H SER A 60 -0.138 15.327 9.205 1.00 0.00 H new ATOM 0 HA SER A 60 0.224 14.996 7.031 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.156 15.550 7.629 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.294 15.872 6.137 1.00 0.00 H new ATOM 0 HG SER A 60 2.542 17.777 7.437 1.00 0.00 H new ATOM 884 N ARG A 61 1.020 12.416 7.940 1.00 0.00 N ATOM 885 CA ARG A 61 1.405 11.025 7.734 1.00 0.00 C ATOM 886 C ARG A 61 0.181 10.158 7.456 1.00 0.00 C ATOM 887 O ARG A 61 -0.510 9.727 8.380 1.00 0.00 O ATOM 888 CB ARG A 61 2.152 10.494 8.959 1.00 0.00 C ATOM 889 CG ARG A 61 3.176 9.420 8.629 1.00 0.00 C ATOM 890 CD ARG A 61 3.553 8.612 9.861 1.00 0.00 C ATOM 891 NE ARG A 61 3.938 7.245 9.521 1.00 0.00 N ATOM 892 CZ ARG A 61 4.518 6.411 10.377 1.00 0.00 C ATOM 893 NH1 ARG A 61 4.779 6.803 11.616 1.00 0.00 N ATOM 894 NH2 ARG A 61 4.839 5.182 9.994 1.00 0.00 N ATOM 0 H ARG A 61 0.256 12.548 8.603 1.00 0.00 H new ATOM 0 HA ARG A 61 2.065 10.981 6.867 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.655 11.324 9.455 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.429 10.090 9.668 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.774 8.755 7.865 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.069 9.884 8.209 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.377 9.103 10.378 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.711 8.590 10.552 1.00 0.00 H new ATOM 0 HE ARG A 61 3.751 6.913 8.575 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.534 7.747 11.914 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.224 6.160 12.271 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.641 4.877 9.041 1.00 0.00 H new ATOM 0 HH22 ARG A 61 5.284 4.543 10.652 1.00 0.00 H new ATOM 908 N CYS A 62 -0.082 9.906 6.178 1.00 0.00 N ATOM 909 CA CYS A 62 -1.223 9.091 5.779 1.00 0.00 C ATOM 910 C CYS A 62 -0.883 7.606 5.850 1.00 0.00 C ATOM 911 O CYS A 62 0.090 7.154 5.248 1.00 0.00 O ATOM 912 CB CYS A 62 -1.667 9.458 4.361 1.00 0.00 C ATOM 913 SG CYS A 62 -1.468 11.208 3.955 1.00 0.00 S ATOM 0 H CYS A 62 0.480 10.255 5.401 1.00 0.00 H new ATOM 0 HA CYS A 62 -2.041 9.291 6.472 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -1.096 8.863 3.648 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -2.715 9.184 4.238 1.00 0.00 H new ATOM 0 HG CYS A 62 -0.764 11.324 2.868 1.00 0.00 H new ATOM 919 N GLU A 63 -1.691 6.854 6.591 1.00 0.00 N ATOM 920 CA GLU A 63 -1.472 5.420 6.742 1.00 0.00 C ATOM 921 C GLU A 63 -2.749 4.641 6.440 1.00 0.00 C ATOM 922 O GLU A 63 -3.797 4.887 7.039 1.00 0.00 O ATOM 923 CB GLU A 63 -0.991 5.102 8.160 1.00 0.00 C ATOM 924 CG GLU A 63 -0.521 3.668 8.335 1.00 0.00 C ATOM 925 CD GLU A 63 -1.659 2.714 8.641 1.00 0.00 C ATOM 926 OE1 GLU A 63 -2.289 2.864 9.709 1.00 0.00 O ATOM 927 OE2 GLU A 63 -1.920 1.817 7.812 1.00 0.00 O ATOM 0 H GLU A 63 -2.502 7.213 7.095 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.705 5.118 6.029 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.175 5.777 8.418 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.801 5.298 8.862 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.013 3.343 7.427 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.211 3.625 9.142 1.00 0.00 H new ATOM 934 N LEU A 64 -2.654 3.700 5.507 1.00 0.00 N ATOM 935 CA LEU A 64 -3.800 2.883 5.124 1.00 0.00 C ATOM 936 C LEU A 64 -3.537 1.408 5.408 1.00 0.00 C ATOM 937 O LEU A 64 -2.394 0.954 5.373 1.00 0.00 O ATOM 938 CB LEU A 64 -4.118 3.081 3.641 1.00 0.00 C ATOM 939 CG LEU A 64 -5.081 2.067 3.020 1.00 0.00 C ATOM 940 CD1 LEU A 64 -6.485 2.256 3.574 1.00 0.00 C ATOM 941 CD2 LEU A 64 -5.083 2.193 1.504 1.00 0.00 C ATOM 0 H LEU A 64 -1.795 3.484 5.002 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.657 3.200 5.719 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -4.538 4.078 3.510 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.182 3.053 3.082 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.741 1.065 3.281 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.156 1.526 3.121 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.472 2.115 4.655 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.835 3.262 3.344 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.773 1.464 1.079 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.398 3.198 1.223 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.079 2.007 1.122 1.00 0.00 H new ATOM 953 N GLN A 65 -4.604 0.665 5.686 1.00 0.00 N ATOM 954 CA GLN A 65 -4.488 -0.760 5.974 1.00 0.00 C ATOM 955 C GLN A 65 -5.536 -1.558 5.205 1.00 0.00 C ATOM 956 O GLN A 65 -6.685 -1.133 5.081 1.00 0.00 O ATOM 957 CB GLN A 65 -4.637 -1.012 7.475 1.00 0.00 C ATOM 958 CG GLN A 65 -4.056 -2.341 7.929 1.00 0.00 C ATOM 959 CD GLN A 65 -3.956 -2.449 9.438 1.00 0.00 C ATOM 960 OE1 GLN A 65 -4.791 -3.083 10.084 1.00 0.00 O ATOM 961 NE2 GLN A 65 -2.930 -1.829 10.009 1.00 0.00 N ATOM 0 H GLN A 65 -5.558 1.026 5.718 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.500 -1.091 5.654 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.147 -0.205 8.021 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.694 -0.979 7.737 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.677 -3.153 7.551 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.065 -2.468 7.493 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.261 -1.315 9.435 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.810 -1.867 11.021 1.00 0.00 H new ATOM 970 N ILE A 66 -5.132 -2.715 4.692 1.00 0.00 N ATOM 971 CA ILE A 66 -6.037 -3.572 3.936 1.00 0.00 C ATOM 972 C ILE A 66 -6.038 -4.993 4.489 1.00 0.00 C ATOM 973 O ILE A 66 -5.387 -5.883 3.940 1.00 0.00 O ATOM 974 CB ILE A 66 -5.659 -3.613 2.444 1.00 0.00 C ATOM 975 CG1 ILE A 66 -5.661 -2.200 1.856 1.00 0.00 C ATOM 976 CG2 ILE A 66 -6.619 -4.512 1.679 1.00 0.00 C ATOM 977 CD1 ILE A 66 -4.759 -2.046 0.652 1.00 0.00 C ATOM 0 H ILE A 66 -4.184 -3.081 4.786 1.00 0.00 H new ATOM 0 HA ILE A 66 -7.035 -3.145 4.037 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.654 -4.024 2.350 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.680 -1.934 1.573 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.349 -1.494 2.626 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -6.339 -4.531 0.626 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.573 -5.523 2.085 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -7.634 -4.128 1.778 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.810 -1.020 0.288 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.732 -2.280 0.934 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.083 -2.727 -0.135 1.00 0.00 H new ATOM 989 N ARG A 67 -6.773 -5.199 5.576 1.00 0.00 N ATOM 990 CA ARG A 67 -6.859 -6.513 6.202 1.00 0.00 C ATOM 991 C ARG A 67 -7.448 -7.538 5.237 1.00 0.00 C ATOM 992 O ARG A 67 -8.492 -7.305 4.629 1.00 0.00 O ATOM 993 CB ARG A 67 -7.711 -6.442 7.471 1.00 0.00 C ATOM 994 CG ARG A 67 -6.916 -6.101 8.720 1.00 0.00 C ATOM 995 CD ARG A 67 -7.640 -6.549 9.981 1.00 0.00 C ATOM 996 NE ARG A 67 -6.867 -6.263 11.186 1.00 0.00 N ATOM 997 CZ ARG A 67 -6.678 -5.038 11.665 1.00 0.00 C ATOM 998 NH1 ARG A 67 -7.204 -3.992 11.044 1.00 0.00 N ATOM 999 NH2 ARG A 67 -5.962 -4.859 12.768 1.00 0.00 N ATOM 0 H ARG A 67 -7.318 -4.473 6.042 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.850 -6.828 6.467 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.492 -5.695 7.333 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -8.209 -7.400 7.618 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.938 -6.579 8.672 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -6.744 -5.025 8.761 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -8.606 -6.047 10.042 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.840 -7.619 9.924 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.449 -7.047 11.688 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -7.755 -4.126 10.196 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -7.058 -3.053 11.414 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.556 -5.662 13.249 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -5.817 -3.918 13.135 1.00 0.00 H new ATOM 1013 N GLY A 68 -6.771 -8.674 5.103 1.00 0.00 N ATOM 1014 CA GLY A 68 -7.242 -9.717 4.210 1.00 0.00 C ATOM 1015 C GLY A 68 -6.701 -9.564 2.803 1.00 0.00 C ATOM 1016 O GLY A 68 -7.464 -9.390 1.851 1.00 0.00 O ATOM 0 H GLY A 68 -5.905 -8.891 5.597 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.948 -10.689 4.605 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.331 -9.701 4.181 1.00 0.00 H new ATOM 1020 N LEU A 69 -5.381 -9.627 2.668 1.00 0.00 N ATOM 1021 CA LEU A 69 -4.737 -9.492 1.366 1.00 0.00 C ATOM 1022 C LEU A 69 -5.150 -10.627 0.434 1.00 0.00 C ATOM 1023 O LEU A 69 -5.357 -11.758 0.872 1.00 0.00 O ATOM 1024 CB LEU A 69 -3.216 -9.477 1.526 1.00 0.00 C ATOM 1025 CG LEU A 69 -2.576 -8.103 1.727 1.00 0.00 C ATOM 1026 CD1 LEU A 69 -1.135 -8.248 2.191 1.00 0.00 C ATOM 1027 CD2 LEU A 69 -2.646 -7.289 0.444 1.00 0.00 C ATOM 0 H LEU A 69 -4.735 -9.771 3.444 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.059 -8.549 0.925 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.954 -10.106 2.377 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.773 -9.936 0.642 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.133 -7.574 2.500 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.696 -7.260 2.329 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.110 -8.791 3.136 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.565 -8.797 1.442 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.186 -6.314 0.606 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.114 -7.814 -0.349 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.688 -7.155 0.155 1.00 0.00 H new ATOM 1039 N ALA A 70 -5.266 -10.317 -0.853 1.00 0.00 N ATOM 1040 CA ALA A 70 -5.650 -11.311 -1.847 1.00 0.00 C ATOM 1041 C ALA A 70 -5.154 -10.920 -3.235 1.00 0.00 C ATOM 1042 O ALA A 70 -4.958 -9.740 -3.525 1.00 0.00 O ATOM 1043 CB ALA A 70 -7.160 -11.493 -1.855 1.00 0.00 C ATOM 0 H ALA A 70 -5.099 -9.385 -1.232 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.183 -12.258 -1.577 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.433 -12.238 -2.602 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.491 -11.827 -0.872 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.640 -10.544 -2.097 1.00 0.00 H new ATOM 1049 N VAL A 71 -4.953 -11.918 -4.090 1.00 0.00 N ATOM 1050 CA VAL A 71 -4.481 -11.677 -5.448 1.00 0.00 C ATOM 1051 C VAL A 71 -5.278 -10.564 -6.118 1.00 0.00 C ATOM 1052 O VAL A 71 -4.731 -9.765 -6.878 1.00 0.00 O ATOM 1053 CB VAL A 71 -4.575 -12.951 -6.309 1.00 0.00 C ATOM 1054 CG1 VAL A 71 -4.133 -12.666 -7.736 1.00 0.00 C ATOM 1055 CG2 VAL A 71 -3.743 -14.069 -5.698 1.00 0.00 C ATOM 0 H VAL A 71 -5.110 -12.901 -3.866 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.436 -11.375 -5.371 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.615 -13.275 -6.335 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.206 -13.578 -8.329 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.775 -11.899 -8.169 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.101 -12.317 -7.734 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.821 -14.961 -6.319 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -2.700 -13.757 -5.640 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -4.111 -14.291 -4.696 1.00 0.00 H new ATOM 1065 N VAL A 72 -6.575 -10.518 -5.831 1.00 0.00 N ATOM 1066 CA VAL A 72 -7.449 -9.501 -6.405 1.00 0.00 C ATOM 1067 C VAL A 72 -7.135 -8.122 -5.836 1.00 0.00 C ATOM 1068 O VAL A 72 -7.140 -7.125 -6.559 1.00 0.00 O ATOM 1069 CB VAL A 72 -8.932 -9.826 -6.147 1.00 0.00 C ATOM 1070 CG1 VAL A 72 -9.316 -11.138 -6.812 1.00 0.00 C ATOM 1071 CG2 VAL A 72 -9.214 -9.874 -4.652 1.00 0.00 C ATOM 0 H VAL A 72 -7.044 -11.173 -5.205 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.267 -9.497 -7.480 1.00 0.00 H new ATOM 0 HB VAL A 72 -9.540 -9.034 -6.584 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -10.367 -11.350 -6.618 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -9.153 -11.062 -7.887 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -8.703 -11.944 -6.408 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.267 -10.105 -4.487 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -8.597 -10.645 -4.190 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.981 -8.907 -4.207 1.00 0.00 H new ATOM 1081 N ASP A 73 -6.861 -8.072 -4.537 1.00 0.00 N ATOM 1082 CA ASP A 73 -6.543 -6.815 -3.870 1.00 0.00 C ATOM 1083 C ASP A 73 -5.396 -6.100 -4.578 1.00 0.00 C ATOM 1084 O ASP A 73 -5.399 -4.876 -4.705 1.00 0.00 O ATOM 1085 CB ASP A 73 -6.178 -7.068 -2.407 1.00 0.00 C ATOM 1086 CG ASP A 73 -7.398 -7.136 -1.509 1.00 0.00 C ATOM 1087 OD1 ASP A 73 -8.185 -6.166 -1.503 1.00 0.00 O ATOM 1088 OD2 ASP A 73 -7.565 -8.158 -0.813 1.00 0.00 O ATOM 0 H ASP A 73 -6.853 -8.888 -3.925 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.425 -6.176 -3.910 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.622 -8.002 -2.331 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.517 -6.274 -2.058 1.00 0.00 H new ATOM 1093 N ALA A 74 -4.416 -6.873 -5.034 1.00 0.00 N ATOM 1094 CA ALA A 74 -3.263 -6.313 -5.729 1.00 0.00 C ATOM 1095 C ALA A 74 -3.693 -5.538 -6.970 1.00 0.00 C ATOM 1096 O ALA A 74 -3.862 -6.112 -8.045 1.00 0.00 O ATOM 1097 CB ALA A 74 -2.287 -7.418 -6.107 1.00 0.00 C ATOM 0 H ALA A 74 -4.397 -7.888 -4.935 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.765 -5.618 -5.053 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.431 -6.986 -6.625 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.946 -7.927 -5.205 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.784 -8.134 -6.762 1.00 0.00 H new ATOM 1103 N GLY A 75 -3.870 -4.230 -6.814 1.00 0.00 N ATOM 1104 CA GLY A 75 -4.280 -3.398 -7.930 1.00 0.00 C ATOM 1105 C GLY A 75 -3.569 -2.059 -7.947 1.00 0.00 C ATOM 1106 O GLY A 75 -2.340 -2.002 -7.912 1.00 0.00 O ATOM 0 H GLY A 75 -3.737 -3.731 -5.934 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.080 -3.924 -8.864 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.356 -3.234 -7.881 1.00 0.00 H new ATOM 1110 N GLU A 76 -4.343 -0.980 -8.004 1.00 0.00 N ATOM 1111 CA GLU A 76 -3.778 0.364 -8.029 1.00 0.00 C ATOM 1112 C GLU A 76 -4.496 1.274 -7.036 1.00 0.00 C ATOM 1113 O GLU A 76 -5.620 1.714 -7.281 1.00 0.00 O ATOM 1114 CB GLU A 76 -3.870 0.954 -9.437 1.00 0.00 C ATOM 1115 CG GLU A 76 -3.128 2.270 -9.596 1.00 0.00 C ATOM 1116 CD GLU A 76 -2.877 2.628 -11.048 1.00 0.00 C ATOM 1117 OE1 GLU A 76 -3.813 2.492 -11.863 1.00 0.00 O ATOM 1118 OE2 GLU A 76 -1.744 3.045 -11.369 1.00 0.00 O ATOM 0 H GLU A 76 -5.362 -1.010 -8.034 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.729 0.295 -7.740 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.471 0.233 -10.150 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.919 1.105 -9.690 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.703 3.066 -9.124 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.175 2.211 -9.071 1.00 0.00 H new ATOM 1125 N TYR A 77 -3.839 1.552 -5.916 1.00 0.00 N ATOM 1126 CA TYR A 77 -4.415 2.407 -4.884 1.00 0.00 C ATOM 1127 C TYR A 77 -3.996 3.860 -5.085 1.00 0.00 C ATOM 1128 O TYR A 77 -2.809 4.166 -5.198 1.00 0.00 O ATOM 1129 CB TYR A 77 -3.986 1.928 -3.497 1.00 0.00 C ATOM 1130 CG TYR A 77 -4.475 0.538 -3.158 1.00 0.00 C ATOM 1131 CD1 TYR A 77 -3.733 -0.585 -3.504 1.00 0.00 C ATOM 1132 CD2 TYR A 77 -5.679 0.347 -2.492 1.00 0.00 C ATOM 1133 CE1 TYR A 77 -4.176 -1.856 -3.197 1.00 0.00 C ATOM 1134 CE2 TYR A 77 -6.130 -0.921 -2.179 1.00 0.00 C ATOM 1135 CZ TYR A 77 -5.375 -2.019 -2.535 1.00 0.00 C ATOM 1136 OH TYR A 77 -5.820 -3.284 -2.226 1.00 0.00 O ATOM 0 H TYR A 77 -2.907 1.198 -5.699 1.00 0.00 H new ATOM 0 HA TYR A 77 -5.501 2.346 -4.962 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.898 1.946 -3.436 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -4.359 2.628 -2.749 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.793 -0.461 -4.022 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.273 1.205 -2.214 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.587 -2.718 -3.474 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -7.068 -1.051 -1.659 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.711 -3.868 -3.005 1.00 0.00 H new ATOM 1146 N SER A 78 -4.980 4.753 -5.128 1.00 0.00 N ATOM 1147 CA SER A 78 -4.716 6.174 -5.318 1.00 0.00 C ATOM 1148 C SER A 78 -5.096 6.969 -4.072 1.00 0.00 C ATOM 1149 O SER A 78 -6.146 6.737 -3.471 1.00 0.00 O ATOM 1150 CB SER A 78 -5.489 6.701 -6.529 1.00 0.00 C ATOM 1151 OG SER A 78 -5.131 5.999 -7.707 1.00 0.00 O ATOM 0 H SER A 78 -5.968 4.517 -5.034 1.00 0.00 H new ATOM 0 HA SER A 78 -3.648 6.299 -5.496 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.560 6.600 -6.353 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.286 7.764 -6.659 1.00 0.00 H new ATOM 0 HG SER A 78 -4.312 6.385 -8.082 1.00 0.00 H new ATOM 1157 N CYS A 79 -4.236 7.907 -3.691 1.00 0.00 N ATOM 1158 CA CYS A 79 -4.480 8.736 -2.517 1.00 0.00 C ATOM 1159 C CYS A 79 -4.467 10.216 -2.884 1.00 0.00 C ATOM 1160 O CYS A 79 -3.444 10.751 -3.314 1.00 0.00 O ATOM 1161 CB CYS A 79 -3.430 8.455 -1.441 1.00 0.00 C ATOM 1162 SG CYS A 79 -3.973 8.845 0.240 1.00 0.00 S ATOM 0 H CYS A 79 -3.364 8.112 -4.178 1.00 0.00 H new ATOM 0 HA CYS A 79 -5.466 8.487 -2.125 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -3.152 7.402 -1.486 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -2.533 9.032 -1.665 1.00 0.00 H new ATOM 0 HG CYS A 79 -4.233 7.743 0.879 1.00 0.00 H new ATOM 1168 N VAL A 80 -5.609 10.874 -2.713 1.00 0.00 N ATOM 1169 CA VAL A 80 -5.729 12.293 -3.027 1.00 0.00 C ATOM 1170 C VAL A 80 -6.454 13.043 -1.915 1.00 0.00 C ATOM 1171 O VAL A 80 -7.485 12.590 -1.418 1.00 0.00 O ATOM 1172 CB VAL A 80 -6.480 12.512 -4.354 1.00 0.00 C ATOM 1173 CG1 VAL A 80 -7.690 11.595 -4.440 1.00 0.00 C ATOM 1174 CG2 VAL A 80 -6.894 13.969 -4.496 1.00 0.00 C ATOM 0 H VAL A 80 -6.465 10.447 -2.359 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.716 12.683 -3.123 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.809 12.266 -5.177 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.208 11.764 -5.384 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.364 10.556 -4.386 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.367 11.807 -3.612 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.423 14.107 -5.439 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.549 14.244 -3.669 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.007 14.602 -4.482 1.00 0.00 H new ATOM 1184 N CYS A 81 -5.908 14.191 -1.530 1.00 0.00 N ATOM 1185 CA CYS A 81 -6.502 15.004 -0.476 1.00 0.00 C ATOM 1186 C CYS A 81 -7.267 16.185 -1.066 1.00 0.00 C ATOM 1187 O CYS A 81 -8.415 16.437 -0.703 1.00 0.00 O ATOM 1188 CB CYS A 81 -5.420 15.509 0.479 1.00 0.00 C ATOM 1189 SG CYS A 81 -6.043 16.560 1.812 1.00 0.00 S ATOM 0 H CYS A 81 -5.055 14.579 -1.932 1.00 0.00 H new ATOM 0 HA CYS A 81 -7.203 14.380 0.078 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -4.908 14.652 0.916 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -4.678 16.067 -0.092 1.00 0.00 H new ATOM 0 HG CYS A 81 -5.327 17.643 1.882 1.00 0.00 H new ATOM 1195 N GLY A 82 -6.621 16.906 -1.977 1.00 0.00 N ATOM 1196 CA GLY A 82 -7.256 18.052 -2.602 1.00 0.00 C ATOM 1197 C GLY A 82 -7.193 17.996 -4.115 1.00 0.00 C ATOM 1198 O GLY A 82 -8.140 17.553 -4.765 1.00 0.00 O ATOM 0 H GLY A 82 -5.670 16.717 -2.293 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.298 18.103 -2.286 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.773 18.965 -2.255 1.00 0.00 H new ATOM 1202 N GLN A 83 -6.077 18.448 -4.677 1.00 0.00 N ATOM 1203 CA GLN A 83 -5.897 18.449 -6.124 1.00 0.00 C ATOM 1204 C GLN A 83 -4.934 17.347 -6.554 1.00 0.00 C ATOM 1205 O GLN A 83 -5.183 16.639 -7.529 1.00 0.00 O ATOM 1206 CB GLN A 83 -5.377 19.809 -6.593 1.00 0.00 C ATOM 1207 CG GLN A 83 -5.160 19.892 -8.096 1.00 0.00 C ATOM 1208 CD GLN A 83 -4.887 21.306 -8.569 1.00 0.00 C ATOM 1209 OE1 GLN A 83 -4.588 22.194 -7.769 1.00 0.00 O ATOM 1210 NE2 GLN A 83 -4.988 21.524 -9.875 1.00 0.00 N ATOM 0 H GLN A 83 -5.284 18.818 -4.153 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.866 18.259 -6.586 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -6.084 20.582 -6.293 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -4.436 20.024 -6.086 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -4.323 19.252 -8.374 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -6.041 19.505 -8.608 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -5.238 20.759 -10.502 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -4.815 22.456 -10.251 1.00 0.00 H new ATOM 1219 N GLU A 84 -3.834 17.210 -5.820 1.00 0.00 N ATOM 1220 CA GLU A 84 -2.833 16.195 -6.128 1.00 0.00 C ATOM 1221 C GLU A 84 -3.365 14.797 -5.823 1.00 0.00 C ATOM 1222 O GLU A 84 -3.944 14.559 -4.763 1.00 0.00 O ATOM 1223 CB GLU A 84 -1.553 16.450 -5.329 1.00 0.00 C ATOM 1224 CG GLU A 84 -0.584 17.395 -6.020 1.00 0.00 C ATOM 1225 CD GLU A 84 -1.067 18.832 -6.017 1.00 0.00 C ATOM 1226 OE1 GLU A 84 -1.255 19.393 -4.917 1.00 0.00 O ATOM 1227 OE2 GLU A 84 -1.257 19.396 -7.115 1.00 0.00 O ATOM 0 H GLU A 84 -3.614 17.788 -5.009 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.607 16.256 -7.193 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.818 16.862 -4.356 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.053 15.499 -5.147 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.386 17.341 -5.525 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.435 17.068 -7.049 1.00 0.00 H new ATOM 1234 N ARG A 85 -3.165 13.877 -6.760 1.00 0.00 N ATOM 1235 CA ARG A 85 -3.625 12.504 -6.594 1.00 0.00 C ATOM 1236 C ARG A 85 -2.544 11.513 -7.016 1.00 0.00 C ATOM 1237 O ARG A 85 -2.263 11.351 -8.204 1.00 0.00 O ATOM 1238 CB ARG A 85 -4.896 12.267 -7.411 1.00 0.00 C ATOM 1239 CG ARG A 85 -5.417 10.841 -7.328 1.00 0.00 C ATOM 1240 CD ARG A 85 -6.628 10.637 -8.224 1.00 0.00 C ATOM 1241 NE ARG A 85 -6.421 11.192 -9.559 1.00 0.00 N ATOM 1242 CZ ARG A 85 -6.670 12.458 -9.876 1.00 0.00 C ATOM 1243 NH1 ARG A 85 -7.133 13.295 -8.958 1.00 0.00 N ATOM 1244 NH2 ARG A 85 -6.456 12.889 -11.112 1.00 0.00 N ATOM 0 H ARG A 85 -2.687 14.058 -7.643 1.00 0.00 H new ATOM 0 HA ARG A 85 -3.845 12.347 -5.538 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -5.673 12.949 -7.065 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -4.698 12.512 -8.454 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -4.628 10.147 -7.617 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -5.683 10.609 -6.297 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -6.844 9.572 -8.304 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -7.500 11.106 -7.768 1.00 0.00 H new ATOM 0 HE ARG A 85 -6.066 10.574 -10.288 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -7.299 12.967 -8.006 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -7.324 14.267 -9.203 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -6.100 12.248 -11.821 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -6.648 13.861 -11.353 1.00 0.00 H new ATOM 1258 N THR A 86 -1.939 10.851 -6.034 1.00 0.00 N ATOM 1259 CA THR A 86 -0.888 9.877 -6.303 1.00 0.00 C ATOM 1260 C THR A 86 -1.471 8.488 -6.533 1.00 0.00 C ATOM 1261 O THR A 86 -2.649 8.247 -6.266 1.00 0.00 O ATOM 1262 CB THR A 86 0.125 9.811 -5.145 1.00 0.00 C ATOM 1263 OG1 THR A 86 1.291 9.087 -5.555 1.00 0.00 O ATOM 1264 CG2 THR A 86 -0.490 9.143 -3.925 1.00 0.00 C ATOM 0 H THR A 86 -2.159 10.972 -5.045 1.00 0.00 H new ATOM 0 HA THR A 86 -0.375 10.206 -7.207 1.00 0.00 H new ATOM 0 HB THR A 86 0.405 10.830 -4.878 1.00 0.00 H new ATOM 0 HG1 THR A 86 1.931 9.051 -4.814 1.00 0.00 H new ATOM 0 HG21 THR A 86 0.244 9.108 -3.120 1.00 0.00 H new ATOM 0 HG22 THR A 86 -1.360 9.713 -3.598 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.796 8.129 -4.181 1.00 0.00 H new ATOM 1272 N SER A 87 -0.640 7.577 -7.028 1.00 0.00 N ATOM 1273 CA SER A 87 -1.075 6.211 -7.297 1.00 0.00 C ATOM 1274 C SER A 87 0.094 5.237 -7.185 1.00 0.00 C ATOM 1275 O SER A 87 1.245 5.601 -7.427 1.00 0.00 O ATOM 1276 CB SER A 87 -1.700 6.117 -8.690 1.00 0.00 C ATOM 1277 OG SER A 87 -2.719 7.088 -8.858 1.00 0.00 O ATOM 0 H SER A 87 0.338 7.760 -7.251 1.00 0.00 H new ATOM 0 HA SER A 87 -1.823 5.941 -6.552 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.930 6.259 -9.448 1.00 0.00 H new ATOM 0 HB3 SER A 87 -2.115 5.120 -8.839 1.00 0.00 H new ATOM 0 HG SER A 87 -3.102 7.008 -9.757 1.00 0.00 H new ATOM 1283 N ALA A 88 -0.211 3.997 -6.817 1.00 0.00 N ATOM 1284 CA ALA A 88 0.813 2.969 -6.675 1.00 0.00 C ATOM 1285 C ALA A 88 0.215 1.574 -6.825 1.00 0.00 C ATOM 1286 O ALA A 88 -0.899 1.312 -6.370 1.00 0.00 O ATOM 1287 CB ALA A 88 1.513 3.104 -5.331 1.00 0.00 C ATOM 0 H ALA A 88 -1.159 3.680 -6.612 1.00 0.00 H new ATOM 0 HA ALA A 88 1.546 3.109 -7.470 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.275 2.330 -5.238 1.00 0.00 H new ATOM 0 HB2 ALA A 88 1.982 4.085 -5.262 1.00 0.00 H new ATOM 0 HB3 ALA A 88 0.784 2.993 -4.528 1.00 0.00 H new ATOM 1293 N THR A 89 0.962 0.681 -7.467 1.00 0.00 N ATOM 1294 CA THR A 89 0.505 -0.687 -7.679 1.00 0.00 C ATOM 1295 C THR A 89 0.929 -1.592 -6.529 1.00 0.00 C ATOM 1296 O THR A 89 2.065 -1.524 -6.057 1.00 0.00 O ATOM 1297 CB THR A 89 1.050 -1.263 -8.999 1.00 0.00 C ATOM 1298 OG1 THR A 89 0.833 -0.333 -10.066 1.00 0.00 O ATOM 1299 CG2 THR A 89 0.378 -2.587 -9.330 1.00 0.00 C ATOM 0 H THR A 89 1.886 0.881 -7.849 1.00 0.00 H new ATOM 0 HA THR A 89 -0.583 -0.653 -7.728 1.00 0.00 H new ATOM 0 HB THR A 89 2.120 -1.436 -8.880 1.00 0.00 H new ATOM 0 HG1 THR A 89 1.184 -0.706 -10.902 1.00 0.00 H new ATOM 0 HG21 THR A 89 0.779 -2.975 -10.267 1.00 0.00 H new ATOM 0 HG22 THR A 89 0.569 -3.302 -8.530 1.00 0.00 H new ATOM 0 HG23 THR A 89 -0.697 -2.434 -9.431 1.00 0.00 H new ATOM 1307 N LEU A 90 0.011 -2.442 -6.081 1.00 0.00 N ATOM 1308 CA LEU A 90 0.291 -3.363 -4.985 1.00 0.00 C ATOM 1309 C LEU A 90 0.545 -4.773 -5.510 1.00 0.00 C ATOM 1310 O LEU A 90 -0.123 -5.232 -6.437 1.00 0.00 O ATOM 1311 CB LEU A 90 -0.875 -3.378 -3.995 1.00 0.00 C ATOM 1312 CG LEU A 90 -0.526 -3.750 -2.553 1.00 0.00 C ATOM 1313 CD1 LEU A 90 -0.135 -2.512 -1.762 1.00 0.00 C ATOM 1314 CD2 LEU A 90 -1.695 -4.463 -1.889 1.00 0.00 C ATOM 0 H LEU A 90 -0.933 -2.512 -6.460 1.00 0.00 H new ATOM 0 HA LEU A 90 1.190 -3.018 -4.474 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.337 -2.391 -3.993 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.625 -4.080 -4.359 1.00 0.00 H new ATOM 0 HG LEU A 90 0.326 -4.429 -2.569 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.110 -2.796 -0.739 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.733 -2.043 -2.226 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.967 -1.808 -1.754 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -1.429 -4.720 -0.864 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.566 -3.808 -1.885 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -1.928 -5.373 -2.443 1.00 0.00 H new ATOM 1326 N THR A 91 1.515 -5.456 -4.910 1.00 0.00 N ATOM 1327 CA THR A 91 1.857 -6.814 -5.316 1.00 0.00 C ATOM 1328 C THR A 91 1.560 -7.812 -4.204 1.00 0.00 C ATOM 1329 O THR A 91 2.137 -7.738 -3.119 1.00 0.00 O ATOM 1330 CB THR A 91 3.343 -6.926 -5.707 1.00 0.00 C ATOM 1331 OG1 THR A 91 3.630 -6.045 -6.799 1.00 0.00 O ATOM 1332 CG2 THR A 91 3.694 -8.354 -6.096 1.00 0.00 C ATOM 0 H THR A 91 2.078 -5.091 -4.141 1.00 0.00 H new ATOM 0 HA THR A 91 1.241 -7.048 -6.184 1.00 0.00 H new ATOM 0 HB THR A 91 3.945 -6.643 -4.844 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.577 -6.121 -7.040 1.00 0.00 H new ATOM 0 HG21 THR A 91 4.748 -8.408 -6.368 1.00 0.00 H new ATOM 0 HG22 THR A 91 3.502 -9.018 -5.253 1.00 0.00 H new ATOM 0 HG23 THR A 91 3.084 -8.660 -6.946 1.00 0.00 H new ATOM 1340 N VAL A 92 0.655 -8.746 -4.479 1.00 0.00 N ATOM 1341 CA VAL A 92 0.282 -9.761 -3.501 1.00 0.00 C ATOM 1342 C VAL A 92 0.744 -11.146 -3.943 1.00 0.00 C ATOM 1343 O VAL A 92 0.194 -11.726 -4.878 1.00 0.00 O ATOM 1344 CB VAL A 92 -1.241 -9.789 -3.274 1.00 0.00 C ATOM 1345 CG1 VAL A 92 -1.613 -10.875 -2.276 1.00 0.00 C ATOM 1346 CG2 VAL A 92 -1.734 -8.429 -2.803 1.00 0.00 C ATOM 0 H VAL A 92 0.167 -8.821 -5.371 1.00 0.00 H new ATOM 0 HA VAL A 92 0.777 -9.497 -2.566 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.728 -10.019 -4.222 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.693 -10.879 -2.129 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.295 -11.845 -2.658 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.118 -10.680 -1.325 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.812 -8.467 -2.648 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.241 -8.168 -1.867 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.502 -7.677 -3.557 1.00 0.00 H new ATOM 1356 N ARG A 93 1.759 -11.669 -3.262 1.00 0.00 N ATOM 1357 CA ARG A 93 2.296 -12.986 -3.584 1.00 0.00 C ATOM 1358 C ARG A 93 1.406 -14.089 -3.020 1.00 0.00 C ATOM 1359 O ARG A 93 1.398 -14.339 -1.815 1.00 0.00 O ATOM 1360 CB ARG A 93 3.716 -13.130 -3.033 1.00 0.00 C ATOM 1361 CG ARG A 93 4.681 -12.077 -3.554 1.00 0.00 C ATOM 1362 CD ARG A 93 6.126 -12.530 -3.417 1.00 0.00 C ATOM 1363 NE ARG A 93 6.553 -13.347 -4.549 1.00 0.00 N ATOM 1364 CZ ARG A 93 7.598 -14.167 -4.512 1.00 0.00 C ATOM 1365 NH1 ARG A 93 8.318 -14.277 -3.404 1.00 0.00 N ATOM 1366 NH2 ARG A 93 7.923 -14.878 -5.583 1.00 0.00 N ATOM 0 H ARG A 93 2.225 -11.201 -2.485 1.00 0.00 H new ATOM 0 HA ARG A 93 2.323 -13.084 -4.669 1.00 0.00 H new ATOM 0 HB2 ARG A 93 3.682 -13.073 -1.945 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.097 -14.119 -3.289 1.00 0.00 H new ATOM 0 HG2 ARG A 93 4.462 -11.867 -4.601 1.00 0.00 H new ATOM 0 HG3 ARG A 93 4.537 -11.146 -3.005 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.773 -11.657 -3.336 1.00 0.00 H new ATOM 0 HD3 ARG A 93 6.241 -13.100 -2.495 1.00 0.00 H new ATOM 0 HE ARG A 93 6.020 -13.285 -5.416 1.00 0.00 H new ATOM 0 HH11 ARG A 93 8.070 -13.732 -2.578 1.00 0.00 H new ATOM 0 HH12 ARG A 93 9.120 -14.907 -3.377 1.00 0.00 H new ATOM 0 HH21 ARG A 93 7.371 -14.796 -6.437 1.00 0.00 H new ATOM 0 HH22 ARG A 93 8.725 -15.507 -5.553 1.00 0.00 H new ATOM 1380 N ALA A 94 0.657 -14.746 -3.900 1.00 0.00 N ATOM 1381 CA ALA A 94 -0.236 -15.823 -3.490 1.00 0.00 C ATOM 1382 C ALA A 94 0.505 -16.862 -2.654 1.00 0.00 C ATOM 1383 O ALA A 94 1.555 -17.365 -3.058 1.00 0.00 O ATOM 1384 CB ALA A 94 -0.868 -16.478 -4.709 1.00 0.00 C ATOM 0 H ALA A 94 0.651 -14.551 -4.901 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.024 -15.392 -2.873 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -1.532 -17.280 -4.388 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.439 -15.735 -5.266 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.086 -16.888 -5.348 1.00 0.00 H new ATOM 1390 N LEU A 95 -0.047 -17.178 -1.488 1.00 0.00 N ATOM 1391 CA LEU A 95 0.562 -18.157 -0.594 1.00 0.00 C ATOM 1392 C LEU A 95 0.660 -19.522 -1.267 1.00 0.00 C ATOM 1393 O LEU A 95 -0.215 -19.929 -2.033 1.00 0.00 O ATOM 1394 CB LEU A 95 -0.248 -18.270 0.699 1.00 0.00 C ATOM 1395 CG LEU A 95 -0.067 -17.133 1.705 1.00 0.00 C ATOM 1396 CD1 LEU A 95 -1.278 -17.033 2.620 1.00 0.00 C ATOM 1397 CD2 LEU A 95 1.202 -17.338 2.519 1.00 0.00 C ATOM 0 H LEU A 95 -0.915 -16.771 -1.139 1.00 0.00 H new ATOM 0 HA LEU A 95 1.570 -17.817 -0.355 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.304 -18.333 0.438 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.016 -19.207 1.189 1.00 0.00 H new ATOM 0 HG LEU A 95 0.026 -16.197 1.154 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.132 -16.219 3.329 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.170 -16.839 2.024 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.402 -17.970 3.163 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.315 -16.519 3.230 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.139 -18.282 3.060 1.00 0.00 H new ATOM 0 HD23 LEU A 95 2.063 -17.360 1.851 1.00 0.00 H new ATOM 1409 N PRO A 96 1.749 -20.250 -0.975 1.00 0.00 N ATOM 1410 CA PRO A 96 1.985 -21.582 -1.540 1.00 0.00 C ATOM 1411 C PRO A 96 1.020 -22.625 -0.988 1.00 0.00 C ATOM 1412 O PRO A 96 0.382 -22.411 0.043 1.00 0.00 O ATOM 1413 CB PRO A 96 3.419 -21.900 -1.109 1.00 0.00 C ATOM 1414 CG PRO A 96 3.636 -21.085 0.119 1.00 0.00 C ATOM 1415 CD PRO A 96 2.832 -19.828 -0.071 1.00 0.00 C ATOM 0 HA PRO A 96 1.835 -21.599 -2.620 1.00 0.00 H new ATOM 0 HB2 PRO A 96 3.544 -22.963 -0.905 1.00 0.00 H new ATOM 0 HB3 PRO A 96 4.134 -21.638 -1.889 1.00 0.00 H new ATOM 0 HG2 PRO A 96 3.311 -21.625 1.008 1.00 0.00 H new ATOM 0 HG3 PRO A 96 4.693 -20.856 0.253 1.00 0.00 H new ATOM 0 HD2 PRO A 96 2.442 -19.453 0.875 1.00 0.00 H new ATOM 0 HD3 PRO A 96 3.432 -19.029 -0.508 1.00 0.00 H new ATOM 1423 N ALA A 97 0.917 -23.755 -1.681 1.00 0.00 N ATOM 1424 CA ALA A 97 0.031 -24.832 -1.258 1.00 0.00 C ATOM 1425 C ALA A 97 0.817 -26.105 -0.961 1.00 0.00 C ATOM 1426 O ALA A 97 2.020 -26.176 -1.214 1.00 0.00 O ATOM 1427 CB ALA A 97 -1.023 -25.097 -2.323 1.00 0.00 C ATOM 0 H ALA A 97 1.436 -23.948 -2.538 1.00 0.00 H new ATOM 0 HA ALA A 97 -0.466 -24.521 -0.339 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -1.678 -25.904 -1.994 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -1.612 -24.194 -2.484 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -0.535 -25.383 -3.255 1.00 0.00 H new ATOM 1433 N ARG A 98 0.130 -27.107 -0.423 1.00 0.00 N ATOM 1434 CA ARG A 98 0.765 -28.376 -0.090 1.00 0.00 C ATOM 1435 C ARG A 98 -0.194 -29.541 -0.321 1.00 0.00 C ATOM 1436 O ARG A 98 -1.390 -29.341 -0.532 1.00 0.00 O ATOM 1437 CB ARG A 98 1.234 -28.370 1.366 1.00 0.00 C ATOM 1438 CG ARG A 98 2.359 -27.385 1.639 1.00 0.00 C ATOM 1439 CD ARG A 98 3.254 -27.861 2.772 1.00 0.00 C ATOM 1440 NE ARG A 98 2.652 -27.626 4.081 1.00 0.00 N ATOM 1441 CZ ARG A 98 3.135 -28.127 5.213 1.00 0.00 C ATOM 1442 NH1 ARG A 98 4.222 -28.888 5.195 1.00 0.00 N ATOM 1443 NH2 ARG A 98 2.532 -27.868 6.366 1.00 0.00 N ATOM 0 H ARG A 98 -0.866 -27.065 -0.208 1.00 0.00 H new ATOM 0 HA ARG A 98 1.629 -28.503 -0.743 1.00 0.00 H new ATOM 0 HB2 ARG A 98 0.388 -28.130 2.010 1.00 0.00 H new ATOM 0 HB3 ARG A 98 1.566 -29.372 1.636 1.00 0.00 H new ATOM 0 HG2 ARG A 98 2.954 -27.251 0.736 1.00 0.00 H new ATOM 0 HG3 ARG A 98 1.938 -26.411 1.891 1.00 0.00 H new ATOM 0 HD2 ARG A 98 3.456 -28.925 2.652 1.00 0.00 H new ATOM 0 HD3 ARG A 98 4.213 -27.346 2.717 1.00 0.00 H new ATOM 0 HE ARG A 98 1.815 -27.045 4.129 1.00 0.00 H new ATOM 0 HH11 ARG A 98 4.689 -29.090 4.311 1.00 0.00 H new ATOM 0 HH12 ARG A 98 4.591 -29.271 6.065 1.00 0.00 H new ATOM 0 HH21 ARG A 98 1.696 -27.284 6.384 1.00 0.00 H new ATOM 0 HH22 ARG A 98 2.904 -28.253 7.234 1.00 0.00 H new ATOM 1457 N PHE A 99 0.340 -30.757 -0.281 1.00 0.00 N ATOM 1458 CA PHE A 99 -0.467 -31.954 -0.487 1.00 0.00 C ATOM 1459 C PHE A 99 0.180 -33.167 0.174 1.00 0.00 C ATOM 1460 O PHE A 99 1.326 -33.106 0.620 1.00 0.00 O ATOM 1461 CB PHE A 99 -0.657 -32.215 -1.983 1.00 0.00 C ATOM 1462 CG PHE A 99 -1.588 -33.356 -2.279 1.00 0.00 C ATOM 1463 CD1 PHE A 99 -2.862 -33.386 -1.736 1.00 0.00 C ATOM 1464 CD2 PHE A 99 -1.189 -34.397 -3.101 1.00 0.00 C ATOM 1465 CE1 PHE A 99 -3.720 -34.435 -2.006 1.00 0.00 C ATOM 1466 CE2 PHE A 99 -2.043 -35.449 -3.375 1.00 0.00 C ATOM 1467 CZ PHE A 99 -3.311 -35.467 -2.828 1.00 0.00 C ATOM 0 H PHE A 99 1.328 -30.940 -0.108 1.00 0.00 H new ATOM 0 HA PHE A 99 -1.441 -31.789 -0.027 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -1.041 -31.311 -2.455 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.314 -32.422 -2.434 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -3.188 -32.581 -1.095 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.199 -34.387 -3.533 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.710 -34.448 -1.575 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.719 -36.256 -4.016 1.00 0.00 H new ATOM 0 HZ PHE A 99 -3.981 -36.286 -3.042 1.00 0.00 H new ATOM 1477 N ILE A 100 -0.563 -34.267 0.234 1.00 0.00 N ATOM 1478 CA ILE A 100 -0.062 -35.495 0.840 1.00 0.00 C ATOM 1479 C ILE A 100 0.496 -36.442 -0.217 1.00 0.00 C ATOM 1480 O ILE A 100 -0.152 -36.708 -1.230 1.00 0.00 O ATOM 1481 CB ILE A 100 -1.164 -36.221 1.633 1.00 0.00 C ATOM 1482 CG1 ILE A 100 -0.592 -37.458 2.328 1.00 0.00 C ATOM 1483 CG2 ILE A 100 -2.312 -36.608 0.713 1.00 0.00 C ATOM 1484 CD1 ILE A 100 0.166 -37.140 3.598 1.00 0.00 C ATOM 0 H ILE A 100 -1.514 -34.333 -0.129 1.00 0.00 H new ATOM 0 HA ILE A 100 0.737 -35.207 1.524 1.00 0.00 H new ATOM 0 HB ILE A 100 -1.548 -35.543 2.396 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.407 -38.143 2.562 1.00 0.00 H new ATOM 0 HG13 ILE A 100 0.073 -37.978 1.638 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -3.083 -37.120 1.289 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -2.734 -35.711 0.260 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -1.943 -37.271 -0.070 1.00 0.00 H new ATOM 0 HD11 ILE A 100 0.543 -38.063 4.037 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.002 -36.480 3.367 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -0.501 -36.647 4.306 1.00 0.00 H new ATOM 1496 N GLU A 101 1.700 -36.949 0.027 1.00 0.00 N ATOM 1497 CA GLU A 101 2.345 -37.867 -0.905 1.00 0.00 C ATOM 1498 C GLU A 101 2.039 -39.317 -0.537 1.00 0.00 C ATOM 1499 O GLU A 101 2.362 -39.772 0.560 1.00 0.00 O ATOM 1500 CB GLU A 101 3.858 -37.640 -0.915 1.00 0.00 C ATOM 1501 CG GLU A 101 4.534 -38.106 -2.194 1.00 0.00 C ATOM 1502 CD GLU A 101 3.847 -37.585 -3.441 1.00 0.00 C ATOM 1503 OE1 GLU A 101 3.721 -36.350 -3.576 1.00 0.00 O ATOM 1504 OE2 GLU A 101 3.434 -38.412 -4.281 1.00 0.00 O ATOM 0 H GLU A 101 2.248 -36.740 0.861 1.00 0.00 H new ATOM 0 HA GLU A 101 1.950 -37.671 -1.902 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.059 -36.578 -0.774 1.00 0.00 H new ATOM 0 HB3 GLU A 101 4.301 -38.164 -0.068 1.00 0.00 H new ATOM 0 HG2 GLU A 101 5.573 -37.777 -2.192 1.00 0.00 H new ATOM 0 HG3 GLU A 101 4.545 -39.196 -2.218 1.00 0.00 H new ATOM 1511 N SER A 102 1.415 -40.037 -1.464 1.00 0.00 N ATOM 1512 CA SER A 102 1.062 -41.433 -1.237 1.00 0.00 C ATOM 1513 C SER A 102 2.311 -42.305 -1.167 1.00 0.00 C ATOM 1514 O SER A 102 3.312 -42.030 -1.827 1.00 0.00 O ATOM 1515 CB SER A 102 0.138 -41.935 -2.348 1.00 0.00 C ATOM 1516 OG SER A 102 -1.157 -41.370 -2.229 1.00 0.00 O ATOM 0 H SER A 102 1.144 -39.677 -2.379 1.00 0.00 H new ATOM 0 HA SER A 102 0.540 -41.499 -0.282 1.00 0.00 H new ATOM 0 HB2 SER A 102 0.561 -41.681 -3.320 1.00 0.00 H new ATOM 0 HB3 SER A 102 0.069 -43.022 -2.305 1.00 0.00 H new ATOM 0 HG SER A 102 -1.728 -41.705 -2.952 1.00 0.00 H new ATOM 1522 N GLY A 103 2.245 -43.361 -0.360 1.00 0.00 N ATOM 1523 CA GLY A 103 3.377 -44.257 -0.218 1.00 0.00 C ATOM 1524 C GLY A 103 3.384 -44.975 1.117 1.00 0.00 C ATOM 1525 O GLY A 103 2.967 -44.431 2.140 1.00 0.00 O ATOM 0 H GLY A 103 1.428 -43.611 0.197 1.00 0.00 H new ATOM 0 HA2 GLY A 103 3.358 -44.992 -1.022 1.00 0.00 H new ATOM 0 HA3 GLY A 103 4.301 -43.690 -0.327 1.00 0.00 H new ATOM 1529 N PRO A 104 3.866 -46.227 1.119 1.00 0.00 N ATOM 1530 CA PRO A 104 3.936 -47.047 2.332 1.00 0.00 C ATOM 1531 C PRO A 104 4.983 -46.538 3.316 1.00 0.00 C ATOM 1532 O PRO A 104 4.698 -46.349 4.498 1.00 0.00 O ATOM 1533 CB PRO A 104 4.325 -48.429 1.803 1.00 0.00 C ATOM 1534 CG PRO A 104 5.034 -48.159 0.521 1.00 0.00 C ATOM 1535 CD PRO A 104 4.380 -46.937 -0.064 1.00 0.00 C ATOM 0 HA PRO A 104 2.998 -47.037 2.886 1.00 0.00 H new ATOM 0 HB2 PRO A 104 4.968 -48.956 2.508 1.00 0.00 H new ATOM 0 HB3 PRO A 104 3.446 -49.054 1.645 1.00 0.00 H new ATOM 0 HG2 PRO A 104 6.097 -47.989 0.691 1.00 0.00 H new ATOM 0 HG3 PRO A 104 4.951 -49.008 -0.157 1.00 0.00 H new ATOM 0 HD2 PRO A 104 5.092 -46.328 -0.621 1.00 0.00 H new ATOM 0 HD3 PRO A 104 3.579 -47.201 -0.754 1.00 0.00 H new ATOM 1543 N SER A 105 6.197 -46.318 2.820 1.00 0.00 N ATOM 1544 CA SER A 105 7.288 -45.834 3.657 1.00 0.00 C ATOM 1545 C SER A 105 7.350 -46.608 4.971 1.00 0.00 C ATOM 1546 O SER A 105 7.550 -46.027 6.037 1.00 0.00 O ATOM 1547 CB SER A 105 7.118 -44.340 3.940 1.00 0.00 C ATOM 1548 OG SER A 105 6.931 -43.611 2.739 1.00 0.00 O ATOM 0 H SER A 105 6.449 -46.467 1.843 1.00 0.00 H new ATOM 0 HA SER A 105 8.223 -45.991 3.119 1.00 0.00 H new ATOM 0 HB2 SER A 105 6.263 -44.187 4.599 1.00 0.00 H new ATOM 0 HB3 SER A 105 7.996 -43.964 4.464 1.00 0.00 H new ATOM 0 HG SER A 105 6.823 -42.659 2.947 1.00 0.00 H new ATOM 1554 N SER A 106 7.177 -47.923 4.884 1.00 0.00 N ATOM 1555 CA SER A 106 7.209 -48.778 6.065 1.00 0.00 C ATOM 1556 C SER A 106 8.623 -49.285 6.330 1.00 0.00 C ATOM 1557 O SER A 106 9.190 -50.025 5.527 1.00 0.00 O ATOM 1558 CB SER A 106 6.254 -49.960 5.890 1.00 0.00 C ATOM 1559 OG SER A 106 4.932 -49.516 5.643 1.00 0.00 O ATOM 0 H SER A 106 7.013 -48.420 4.008 1.00 0.00 H new ATOM 0 HA SER A 106 6.888 -48.186 6.922 1.00 0.00 H new ATOM 0 HB2 SER A 106 6.591 -50.585 5.063 1.00 0.00 H new ATOM 0 HB3 SER A 106 6.271 -50.581 6.786 1.00 0.00 H new ATOM 0 HG SER A 106 4.342 -50.291 5.533 1.00 0.00 H new ATOM 1565 N GLY A 107 9.187 -48.882 7.464 1.00 0.00 N ATOM 1566 CA GLY A 107 10.530 -49.305 7.816 1.00 0.00 C ATOM 1567 C GLY A 107 11.284 -48.248 8.600 1.00 0.00 C ATOM 1568 O GLY A 107 12.505 -48.140 8.492 1.00 0.00 O ATOM 0 H GLY A 107 8.738 -48.270 8.145 1.00 0.00 H new ATOM 0 HA2 GLY A 107 10.477 -50.221 8.405 1.00 0.00 H new ATOM 0 HA3 GLY A 107 11.083 -49.542 6.907 1.00 0.00 H new TER 1572 GLY A 107