USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 656 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 81 THR OG1 : rot 170:sc= -1.78! USER MOD Set 1.2: A 83 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 5 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 100 CYS SG : rot 180:sc= -0.307 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -131:sc= -0.335 (180deg=-2.15!) USER MOD Single : A 8 SER OG : rot 180:sc= 0.556 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot -87:sc= 0.964 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.238 USER MOD Single : A 26 SER OG : rot 144:sc= 0.235 USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 55:sc= 0.519 USER MOD Single : A 62 GLN : amide:sc= 0.0795 X(o=0.08,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.0266 X(o=-0.027,f=-0.0029) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -2.3! C(o=-2.3!,f=-4.2!) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 160:sc=-0.00204 USER MOD Single : A 88 CYS SG : rot 27:sc= 0.0319 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.303 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.0639 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.375 -0.001 -0.311 1.00 31.33 N ATOM 2 CA MET A 1 -0.485 -0.138 -1.458 1.00 10.12 C ATOM 3 C MET A 1 -1.157 0.367 -2.731 1.00 33.33 C ATOM 4 O MET A 1 -1.489 -0.403 -3.633 1.00 11.52 O ATOM 5 CB MET A 1 -0.065 -1.599 -1.633 1.00 51.55 C ATOM 6 CG MET A 1 0.629 -2.182 -0.414 1.00 31.34 C ATOM 7 SD MET A 1 1.134 -3.896 -0.656 1.00 22.13 S ATOM 8 CE MET A 1 -0.227 -4.763 0.122 1.00 65.43 C ATOM 0 H1 MET A 1 -0.866 0.458 0.471 1.00 31.33 H new ATOM 0 H2 MET A 1 -2.197 0.578 -0.577 1.00 31.33 H new ATOM 0 H3 MET A 1 -1.698 -0.942 -0.008 1.00 31.33 H new ATOM 0 HA MET A 1 0.402 0.467 -1.273 1.00 10.12 H new ATOM 0 HB2 MET A 1 -0.947 -2.197 -1.859 1.00 51.55 H new ATOM 0 HB3 MET A 1 0.602 -1.676 -2.492 1.00 51.55 H new ATOM 0 HG2 MET A 1 1.506 -1.579 -0.177 1.00 31.34 H new ATOM 0 HG3 MET A 1 -0.041 -2.122 0.444 1.00 31.34 H new ATOM 0 HE1 MET A 1 -0.060 -5.838 0.054 1.00 65.43 H new ATOM 0 HE2 MET A 1 -0.292 -4.472 1.170 1.00 65.43 H new ATOM 0 HE3 MET A 1 -1.158 -4.507 -0.384 1.00 65.43 H new ATOM 18 N PRO A 2 -1.364 1.690 -2.807 1.00 70.23 N ATOM 19 CA PRO A 2 -1.998 2.326 -3.966 1.00 13.14 C ATOM 20 C PRO A 2 -1.109 2.294 -5.204 1.00 2.53 C ATOM 21 O PRO A 2 -0.081 1.615 -5.225 1.00 55.25 O ATOM 22 CB PRO A 2 -2.218 3.768 -3.502 1.00 12.22 C ATOM 23 CG PRO A 2 -1.182 3.992 -2.455 1.00 33.52 C ATOM 24 CD PRO A 2 -0.994 2.666 -1.769 1.00 40.52 C ATOM 0 HA PRO A 2 -2.914 1.814 -4.262 1.00 13.14 H new ATOM 0 HB2 PRO A 2 -2.105 4.471 -4.327 1.00 12.22 H new ATOM 0 HB3 PRO A 2 -3.222 3.906 -3.101 1.00 12.22 H new ATOM 0 HG2 PRO A 2 -0.248 4.338 -2.898 1.00 33.52 H new ATOM 0 HG3 PRO A 2 -1.502 4.756 -1.747 1.00 33.52 H new ATOM 0 HD2 PRO A 2 0.035 2.528 -1.436 1.00 40.52 H new ATOM 0 HD3 PRO A 2 -1.629 2.576 -0.888 1.00 40.52 H new ATOM 32 N LEU A 3 -1.509 3.033 -6.233 1.00 2.12 N ATOM 33 CA LEU A 3 -0.747 3.090 -7.476 1.00 11.24 C ATOM 34 C LEU A 3 -0.486 4.535 -7.888 1.00 50.24 C ATOM 35 O LEU A 3 -1.306 5.420 -7.639 1.00 64.22 O ATOM 36 CB LEU A 3 -1.496 2.357 -8.590 1.00 23.22 C ATOM 37 CG LEU A 3 -1.124 2.750 -10.020 1.00 10.11 C ATOM 38 CD1 LEU A 3 0.305 2.336 -10.333 1.00 5.30 C ATOM 39 CD2 LEU A 3 -2.092 2.125 -11.014 1.00 30.22 C ATOM 0 H LEU A 3 -2.356 3.601 -6.231 1.00 2.12 H new ATOM 0 HA LEU A 3 0.212 2.600 -7.309 1.00 11.24 H new ATOM 0 HB2 LEU A 3 -1.325 1.287 -8.472 1.00 23.22 H new ATOM 0 HB3 LEU A 3 -2.564 2.526 -8.454 1.00 23.22 H new ATOM 0 HG LEU A 3 -1.194 3.834 -10.108 1.00 10.11 H new ATOM 0 HD11 LEU A 3 0.552 2.624 -11.355 1.00 5.30 H new ATOM 0 HD12 LEU A 3 0.987 2.831 -9.642 1.00 5.30 H new ATOM 0 HD13 LEU A 3 0.402 1.256 -10.227 1.00 5.30 H new ATOM 0 HD21 LEU A 3 -1.812 2.416 -12.027 1.00 30.22 H new ATOM 0 HD22 LEU A 3 -2.055 1.039 -10.925 1.00 30.22 H new ATOM 0 HD23 LEU A 3 -3.104 2.472 -10.804 1.00 30.22 H new ATOM 51 N ILE A 4 0.659 4.766 -8.522 1.00 53.41 N ATOM 52 CA ILE A 4 1.025 6.103 -8.972 1.00 45.35 C ATOM 53 C ILE A 4 1.186 6.148 -10.488 1.00 64.02 C ATOM 54 O ILE A 4 1.712 5.215 -11.096 1.00 73.43 O ATOM 55 CB ILE A 4 2.334 6.580 -8.314 1.00 72.13 C ATOM 56 CG1 ILE A 4 2.236 6.465 -6.792 1.00 34.23 C ATOM 57 CG2 ILE A 4 2.642 8.012 -8.724 1.00 15.41 C ATOM 58 CD1 ILE A 4 1.007 7.131 -6.213 1.00 51.13 C ATOM 0 H ILE A 4 1.348 4.045 -8.735 1.00 53.41 H new ATOM 0 HA ILE A 4 0.215 6.769 -8.675 1.00 45.35 H new ATOM 0 HB ILE A 4 3.149 5.942 -8.656 1.00 72.13 H new ATOM 0 HG12 ILE A 4 2.232 5.411 -6.515 1.00 34.23 H new ATOM 0 HG13 ILE A 4 3.125 6.909 -6.344 1.00 34.23 H new ATOM 0 HG21 ILE A 4 3.570 8.334 -8.251 1.00 15.41 H new ATOM 0 HG22 ILE A 4 2.750 8.065 -9.807 1.00 15.41 H new ATOM 0 HG23 ILE A 4 1.828 8.664 -8.408 1.00 15.41 H new ATOM 0 HD11 ILE A 4 1.004 7.010 -5.130 1.00 51.13 H new ATOM 0 HD12 ILE A 4 1.019 8.193 -6.459 1.00 51.13 H new ATOM 0 HD13 ILE A 4 0.112 6.671 -6.632 1.00 51.13 H new ATOM 70 N THR A 5 0.732 7.241 -11.094 1.00 63.32 N ATOM 71 CA THR A 5 0.826 7.408 -12.539 1.00 1.31 C ATOM 72 C THR A 5 1.941 8.380 -12.908 1.00 51.33 C ATOM 73 O THR A 5 1.998 9.499 -12.397 1.00 75.11 O ATOM 74 CB THR A 5 -0.501 7.917 -13.133 1.00 1.22 C ATOM 75 OG1 THR A 5 -1.548 6.977 -12.869 1.00 71.22 O ATOM 76 CG2 THR A 5 -0.374 8.135 -14.633 1.00 10.30 C ATOM 0 H THR A 5 0.296 8.023 -10.606 1.00 63.32 H new ATOM 0 HA THR A 5 1.050 6.427 -12.957 1.00 1.31 H new ATOM 0 HB THR A 5 -0.742 8.870 -12.663 1.00 1.22 H new ATOM 0 HG1 THR A 5 -2.389 7.309 -13.248 1.00 71.22 H new ATOM 0 HG21 THR A 5 -1.323 8.494 -15.030 1.00 10.30 H new ATOM 0 HG22 THR A 5 0.404 8.873 -14.829 1.00 10.30 H new ATOM 0 HG23 THR A 5 -0.111 7.194 -15.116 1.00 10.30 H new ATOM 84 N PHE A 6 2.826 7.947 -13.800 1.00 10.01 N ATOM 85 CA PHE A 6 3.940 8.780 -14.238 1.00 22.42 C ATOM 86 C PHE A 6 3.725 9.269 -15.667 1.00 72.31 C ATOM 87 O PHE A 6 3.281 8.513 -16.532 1.00 52.44 O ATOM 88 CB PHE A 6 5.254 8.000 -14.146 1.00 13.30 C ATOM 89 CG PHE A 6 5.987 8.212 -12.852 1.00 42.25 C ATOM 90 CD1 PHE A 6 5.292 8.436 -11.675 1.00 52.11 C ATOM 91 CD2 PHE A 6 7.372 8.187 -12.814 1.00 30.22 C ATOM 92 CE1 PHE A 6 5.964 8.632 -10.484 1.00 5.22 C ATOM 93 CE2 PHE A 6 8.050 8.382 -11.625 1.00 61.22 C ATOM 94 CZ PHE A 6 7.345 8.604 -10.459 1.00 22.34 C ATOM 0 H PHE A 6 2.793 7.024 -14.234 1.00 10.01 H new ATOM 0 HA PHE A 6 3.993 9.648 -13.580 1.00 22.42 H new ATOM 0 HB2 PHE A 6 5.046 6.937 -14.266 1.00 13.30 H new ATOM 0 HB3 PHE A 6 5.900 8.294 -14.973 1.00 13.30 H new ATOM 0 HD1 PHE A 6 4.212 8.458 -11.689 1.00 52.11 H new ATOM 0 HD2 PHE A 6 7.928 8.013 -13.723 1.00 30.22 H new ATOM 0 HE1 PHE A 6 5.410 8.807 -9.573 1.00 5.22 H new ATOM 0 HE2 PHE A 6 9.130 8.361 -11.608 1.00 61.22 H new ATOM 0 HZ PHE A 6 7.872 8.756 -9.529 1.00 22.34 H new ATOM 104 N ILE A 7 4.042 10.537 -15.906 1.00 70.42 N ATOM 105 CA ILE A 7 3.884 11.127 -17.230 1.00 31.44 C ATOM 106 C ILE A 7 5.232 11.529 -17.817 1.00 25.12 C ATOM 107 O ILE A 7 5.994 12.272 -17.198 1.00 14.42 O ATOM 108 CB ILE A 7 2.965 12.362 -17.189 1.00 61.02 C ATOM 109 CG1 ILE A 7 1.675 12.040 -16.432 1.00 52.44 C ATOM 110 CG2 ILE A 7 2.653 12.837 -18.601 1.00 25.33 C ATOM 111 CD1 ILE A 7 1.760 12.319 -14.948 1.00 34.30 C ATOM 0 H ILE A 7 4.410 11.175 -15.201 1.00 70.42 H new ATOM 0 HA ILE A 7 3.428 10.366 -17.863 1.00 31.44 H new ATOM 0 HB ILE A 7 3.482 13.164 -16.663 1.00 61.02 H new ATOM 0 HG12 ILE A 7 0.858 12.624 -16.857 1.00 52.44 H new ATOM 0 HG13 ILE A 7 1.428 10.989 -16.582 1.00 52.44 H new ATOM 0 HG21 ILE A 7 2.003 13.710 -18.556 1.00 25.33 H new ATOM 0 HG22 ILE A 7 3.580 13.101 -19.109 1.00 25.33 H new ATOM 0 HG23 ILE A 7 2.152 12.040 -19.151 1.00 25.33 H new ATOM 0 HD11 ILE A 7 0.810 12.068 -14.476 1.00 34.30 H new ATOM 0 HD12 ILE A 7 2.555 11.715 -14.509 1.00 34.30 H new ATOM 0 HD13 ILE A 7 1.976 13.375 -14.788 1.00 34.30 H new ATOM 123 N SER A 8 5.521 11.034 -19.016 1.00 70.21 N ATOM 124 CA SER A 8 6.779 11.340 -19.687 1.00 71.01 C ATOM 125 C SER A 8 6.623 12.545 -20.609 1.00 44.35 C ATOM 126 O SER A 8 5.518 12.920 -21.003 1.00 24.32 O ATOM 127 CB SER A 8 7.262 10.129 -20.488 1.00 51.41 C ATOM 128 OG SER A 8 7.040 10.314 -21.875 1.00 52.34 O ATOM 0 H SER A 8 4.901 10.419 -19.543 1.00 70.21 H new ATOM 0 HA SER A 8 7.520 11.581 -18.925 1.00 71.01 H new ATOM 0 HB2 SER A 8 8.324 9.968 -20.305 1.00 51.41 H new ATOM 0 HB3 SER A 8 6.741 9.234 -20.149 1.00 51.41 H new ATOM 0 HG SER A 8 7.358 9.527 -22.365 1.00 52.34 H new ATOM 134 N PRO A 9 7.757 13.168 -20.964 1.00 1.54 N ATOM 135 CA PRO A 9 7.774 14.340 -21.844 1.00 44.41 C ATOM 136 C PRO A 9 7.402 13.991 -23.281 1.00 11.50 C ATOM 137 O PRO A 9 7.212 14.877 -24.116 1.00 24.55 O ATOM 138 CB PRO A 9 9.226 14.819 -21.769 1.00 65.22 C ATOM 139 CG PRO A 9 10.008 13.602 -21.411 1.00 1.34 C ATOM 140 CD PRO A 9 9.109 12.777 -20.532 1.00 64.32 C ATOM 0 HA PRO A 9 7.047 15.091 -21.536 1.00 44.41 H new ATOM 0 HB2 PRO A 9 9.555 15.235 -22.721 1.00 65.22 H new ATOM 0 HB3 PRO A 9 9.347 15.602 -21.020 1.00 65.22 H new ATOM 0 HG2 PRO A 9 10.297 13.047 -22.304 1.00 1.34 H new ATOM 0 HG3 PRO A 9 10.927 13.868 -20.889 1.00 1.34 H new ATOM 0 HD2 PRO A 9 9.282 11.710 -20.670 1.00 64.32 H new ATOM 0 HD3 PRO A 9 9.271 12.993 -19.476 1.00 64.32 H new ATOM 148 N ASP A 10 7.298 12.697 -23.563 1.00 2.44 N ATOM 149 CA ASP A 10 6.946 12.232 -24.899 1.00 65.41 C ATOM 150 C ASP A 10 5.461 11.893 -24.983 1.00 44.02 C ATOM 151 O ASP A 10 5.012 11.260 -25.937 1.00 71.43 O ATOM 152 CB ASP A 10 7.783 11.007 -25.272 1.00 45.12 C ATOM 153 CG ASP A 10 9.245 11.349 -25.489 1.00 34.43 C ATOM 154 OD1 ASP A 10 9.547 12.068 -26.463 1.00 41.22 O ATOM 155 OD2 ASP A 10 10.086 10.896 -24.684 1.00 73.42 O ATOM 0 H ASP A 10 7.452 11.952 -22.884 1.00 2.44 H new ATOM 0 HA ASP A 10 7.157 13.036 -25.604 1.00 65.41 H new ATOM 0 HB2 ASP A 10 7.701 10.260 -24.482 1.00 45.12 H new ATOM 0 HB3 ASP A 10 7.379 10.557 -26.179 1.00 45.12 H new ATOM 160 N GLY A 11 4.704 12.319 -23.977 1.00 3.14 N ATOM 161 CA GLY A 11 3.278 12.050 -23.956 1.00 3.54 C ATOM 162 C GLY A 11 2.958 10.657 -23.453 1.00 22.14 C ATOM 163 O GLY A 11 1.791 10.286 -23.331 1.00 14.50 O ATOM 0 H GLY A 11 5.053 12.846 -23.176 1.00 3.14 H new ATOM 0 HA2 GLY A 11 2.782 12.785 -23.322 1.00 3.54 H new ATOM 0 HA3 GLY A 11 2.874 12.172 -24.961 1.00 3.54 H new ATOM 167 N SER A 12 3.998 9.881 -23.161 1.00 15.42 N ATOM 168 CA SER A 12 3.821 8.518 -22.673 1.00 44.45 C ATOM 169 C SER A 12 3.520 8.511 -21.178 1.00 31.11 C ATOM 170 O SER A 12 3.726 9.509 -20.487 1.00 63.20 O ATOM 171 CB SER A 12 5.074 7.687 -22.957 1.00 30.01 C ATOM 172 OG SER A 12 4.757 6.311 -23.074 1.00 31.21 O ATOM 0 H SER A 12 4.971 10.173 -23.254 1.00 15.42 H new ATOM 0 HA SER A 12 2.974 8.077 -23.198 1.00 44.45 H new ATOM 0 HB2 SER A 12 5.544 8.035 -23.877 1.00 30.01 H new ATOM 0 HB3 SER A 12 5.798 7.830 -22.155 1.00 30.01 H new ATOM 0 HG SER A 12 5.574 5.802 -23.257 1.00 31.21 H new ATOM 178 N ARG A 13 3.030 7.378 -20.685 1.00 41.01 N ATOM 179 CA ARG A 13 2.699 7.240 -19.272 1.00 74.32 C ATOM 180 C ARG A 13 2.928 5.808 -18.798 1.00 34.34 C ATOM 181 O ARG A 13 2.709 4.852 -19.543 1.00 42.41 O ATOM 182 CB ARG A 13 1.244 7.643 -19.026 1.00 13.41 C ATOM 183 CG ARG A 13 0.237 6.760 -19.743 1.00 74.44 C ATOM 184 CD ARG A 13 -0.436 7.498 -20.890 1.00 3.40 C ATOM 185 NE ARG A 13 -1.586 8.277 -20.440 1.00 34.33 N ATOM 186 CZ ARG A 13 -2.741 7.734 -20.071 1.00 15.45 C ATOM 187 NH1 ARG A 13 -2.898 6.418 -20.098 1.00 13.13 N ATOM 188 NH2 ARG A 13 -3.742 8.509 -19.673 1.00 15.24 N ATOM 0 H ARG A 13 2.854 6.543 -21.243 1.00 41.01 H new ATOM 0 HA ARG A 13 3.353 7.902 -18.705 1.00 74.32 H new ATOM 0 HB2 ARG A 13 1.044 7.612 -17.955 1.00 13.41 H new ATOM 0 HB3 ARG A 13 1.103 8.675 -19.347 1.00 13.41 H new ATOM 0 HG2 ARG A 13 0.739 5.871 -20.126 1.00 74.44 H new ATOM 0 HG3 ARG A 13 -0.519 6.420 -19.035 1.00 74.44 H new ATOM 0 HD2 ARG A 13 0.286 8.160 -21.368 1.00 3.40 H new ATOM 0 HD3 ARG A 13 -0.758 6.780 -21.644 1.00 3.40 H new ATOM 0 HE ARG A 13 -1.498 9.293 -20.407 1.00 34.33 H new ATOM 0 HH11 ARG A 13 -2.131 5.819 -20.403 1.00 13.13 H new ATOM 0 HH12 ARG A 13 -3.786 6.004 -19.814 1.00 13.13 H new ATOM 0 HH21 ARG A 13 -3.625 9.522 -19.650 1.00 15.24 H new ATOM 0 HH22 ARG A 13 -4.629 8.092 -19.390 1.00 15.24 H new ATOM 202 N LYS A 14 3.370 5.666 -17.553 1.00 15.04 N ATOM 203 CA LYS A 14 3.628 4.352 -16.977 1.00 30.42 C ATOM 204 C LYS A 14 2.688 4.075 -15.808 1.00 12.21 C ATOM 205 O LYS A 14 2.138 4.999 -15.207 1.00 44.20 O ATOM 206 CB LYS A 14 5.082 4.254 -16.510 1.00 20.33 C ATOM 207 CG LYS A 14 6.093 4.567 -17.599 1.00 22.01 C ATOM 208 CD LYS A 14 6.239 3.411 -18.574 1.00 30.42 C ATOM 209 CE LYS A 14 5.329 3.581 -19.781 1.00 32.25 C ATOM 210 NZ LYS A 14 5.918 2.980 -21.009 1.00 21.51 N ATOM 0 H LYS A 14 3.557 6.446 -16.923 1.00 15.04 H new ATOM 0 HA LYS A 14 3.449 3.604 -17.749 1.00 30.42 H new ATOM 0 HB2 LYS A 14 5.234 4.940 -15.677 1.00 20.33 H new ATOM 0 HB3 LYS A 14 5.267 3.248 -16.133 1.00 20.33 H new ATOM 0 HG2 LYS A 14 5.783 5.462 -18.138 1.00 22.01 H new ATOM 0 HG3 LYS A 14 7.060 4.787 -17.147 1.00 22.01 H new ATOM 0 HD2 LYS A 14 7.275 3.342 -18.905 1.00 30.42 H new ATOM 0 HD3 LYS A 14 6.003 2.475 -18.068 1.00 30.42 H new ATOM 0 HE2 LYS A 14 4.364 3.117 -19.577 1.00 32.25 H new ATOM 0 HE3 LYS A 14 5.143 4.642 -19.949 1.00 32.25 H new ATOM 0 HZ1 LYS A 14 5.268 3.117 -21.809 1.00 21.51 H new ATOM 0 HZ2 LYS A 14 6.827 3.440 -21.219 1.00 21.51 H new ATOM 0 HZ3 LYS A 14 6.072 1.963 -20.858 1.00 21.51 H new ATOM 224 N THR A 15 2.507 2.797 -15.489 1.00 3.33 N ATOM 225 CA THR A 15 1.634 2.400 -14.392 1.00 22.53 C ATOM 226 C THR A 15 2.243 1.253 -13.593 1.00 32.14 C ATOM 227 O THR A 15 2.384 0.138 -14.097 1.00 2.53 O ATOM 228 CB THR A 15 0.246 1.972 -14.905 1.00 41.41 C ATOM 229 OG1 THR A 15 -0.400 3.077 -15.546 1.00 54.53 O ATOM 230 CG2 THR A 15 -0.621 1.464 -13.763 1.00 4.53 C ATOM 0 H THR A 15 2.954 2.019 -15.975 1.00 3.33 H new ATOM 0 HA THR A 15 1.522 3.271 -13.746 1.00 22.53 H new ATOM 0 HB THR A 15 0.382 1.164 -15.623 1.00 41.41 H new ATOM 0 HG1 THR A 15 -1.281 2.797 -15.871 1.00 54.53 H new ATOM 0 HG21 THR A 15 -1.596 1.168 -14.150 1.00 4.53 H new ATOM 0 HG22 THR A 15 -0.140 0.605 -13.295 1.00 4.53 H new ATOM 0 HG23 THR A 15 -0.749 2.255 -13.024 1.00 4.53 H new ATOM 238 N TYR A 16 2.601 1.533 -12.344 1.00 71.35 N ATOM 239 CA TYR A 16 3.196 0.524 -11.476 1.00 3.32 C ATOM 240 C TYR A 16 2.997 0.884 -10.007 1.00 11.33 C ATOM 241 O TYR A 16 3.116 2.046 -9.620 1.00 52.41 O ATOM 242 CB TYR A 16 4.688 0.377 -11.778 1.00 44.13 C ATOM 243 CG TYR A 16 5.405 1.698 -11.949 1.00 72.40 C ATOM 244 CD1 TYR A 16 5.691 2.502 -10.852 1.00 63.54 C ATOM 245 CD2 TYR A 16 5.794 2.142 -13.206 1.00 63.14 C ATOM 246 CE1 TYR A 16 6.345 3.709 -11.003 1.00 40.24 C ATOM 247 CE2 TYR A 16 6.450 3.347 -13.367 1.00 13.33 C ATOM 248 CZ TYR A 16 6.723 4.127 -12.262 1.00 54.44 C ATOM 249 OH TYR A 16 7.374 5.330 -12.418 1.00 60.50 O ATOM 0 H TYR A 16 2.489 2.450 -11.911 1.00 71.35 H new ATOM 0 HA TYR A 16 2.697 -0.426 -11.670 1.00 3.32 H new ATOM 0 HB2 TYR A 16 5.160 -0.181 -10.970 1.00 44.13 H new ATOM 0 HB3 TYR A 16 4.810 -0.213 -12.686 1.00 44.13 H new ATOM 0 HD1 TYR A 16 5.397 2.177 -9.865 1.00 63.54 H new ATOM 0 HD2 TYR A 16 5.580 1.535 -14.073 1.00 63.14 H new ATOM 0 HE1 TYR A 16 6.559 4.322 -10.140 1.00 40.24 H new ATOM 0 HE2 TYR A 16 6.747 3.677 -14.352 1.00 13.33 H new ATOM 0 HH TYR A 16 6.715 6.049 -12.513 1.00 60.50 H new ATOM 259 N GLU A 17 2.693 -0.122 -9.193 1.00 64.54 N ATOM 260 CA GLU A 17 2.477 0.088 -7.767 1.00 22.53 C ATOM 261 C GLU A 17 3.729 0.657 -7.105 1.00 14.51 C ATOM 262 O GLU A 17 4.808 0.072 -7.186 1.00 51.12 O ATOM 263 CB GLU A 17 2.082 -1.226 -7.089 1.00 62.43 C ATOM 264 CG GLU A 17 0.580 -1.444 -7.013 1.00 64.53 C ATOM 265 CD GLU A 17 0.217 -2.835 -6.531 1.00 35.23 C ATOM 266 OE1 GLU A 17 0.268 -3.069 -5.305 1.00 22.50 O ATOM 267 OE2 GLU A 17 -0.119 -3.689 -7.378 1.00 14.23 O ATOM 0 H GLU A 17 2.591 -1.090 -9.497 1.00 64.54 H new ATOM 0 HA GLU A 17 1.666 0.807 -7.651 1.00 22.53 H new ATOM 0 HB2 GLU A 17 2.534 -2.056 -7.632 1.00 62.43 H new ATOM 0 HB3 GLU A 17 2.495 -1.243 -6.080 1.00 62.43 H new ATOM 0 HG2 GLU A 17 0.143 -0.705 -6.342 1.00 64.53 H new ATOM 0 HG3 GLU A 17 0.142 -1.279 -7.997 1.00 64.53 H new ATOM 274 N ALA A 18 3.575 1.804 -6.450 1.00 74.14 N ATOM 275 CA ALA A 18 4.691 2.453 -5.773 1.00 75.24 C ATOM 276 C ALA A 18 4.683 2.141 -4.281 1.00 4.03 C ATOM 277 O ALA A 18 3.878 1.338 -3.808 1.00 44.03 O ATOM 278 CB ALA A 18 4.643 3.956 -6.001 1.00 4.53 C ATOM 0 H ALA A 18 2.688 2.302 -6.374 1.00 74.14 H new ATOM 0 HA ALA A 18 5.617 2.062 -6.194 1.00 75.24 H new ATOM 0 HB1 ALA A 18 5.482 4.428 -5.490 1.00 4.53 H new ATOM 0 HB2 ALA A 18 4.705 4.164 -7.069 1.00 4.53 H new ATOM 0 HB3 ALA A 18 3.708 4.354 -5.607 1.00 4.53 H new ATOM 284 N TYR A 19 5.585 2.780 -3.543 1.00 53.05 N ATOM 285 CA TYR A 19 5.684 2.568 -2.104 1.00 41.23 C ATOM 286 C TYR A 19 5.709 3.899 -1.358 1.00 70.32 C ATOM 287 O TYR A 19 5.626 4.966 -1.966 1.00 71.14 O ATOM 288 CB TYR A 19 6.940 1.761 -1.772 1.00 20.20 C ATOM 289 CG TYR A 19 6.648 0.356 -1.296 1.00 62.53 C ATOM 290 CD1 TYR A 19 6.494 -0.688 -2.201 1.00 4.40 C ATOM 291 CD2 TYR A 19 6.527 0.071 0.058 1.00 23.14 C ATOM 292 CE1 TYR A 19 6.227 -1.973 -1.771 1.00 10.33 C ATOM 293 CE2 TYR A 19 6.261 -1.212 0.498 1.00 45.41 C ATOM 294 CZ TYR A 19 6.112 -2.230 -0.420 1.00 53.25 C ATOM 295 OH TYR A 19 5.847 -3.509 0.012 1.00 12.12 O ATOM 0 H TYR A 19 6.258 3.449 -3.918 1.00 53.05 H new ATOM 0 HA TYR A 19 4.805 2.009 -1.783 1.00 41.23 H new ATOM 0 HB2 TYR A 19 7.574 1.711 -2.657 1.00 20.20 H new ATOM 0 HB3 TYR A 19 7.506 2.286 -1.003 1.00 20.20 H new ATOM 0 HD1 TYR A 19 6.585 -0.491 -3.259 1.00 4.40 H new ATOM 0 HD2 TYR A 19 6.643 0.866 0.780 1.00 23.14 H new ATOM 0 HE1 TYR A 19 6.109 -2.772 -2.488 1.00 10.33 H new ATOM 0 HE2 TYR A 19 6.170 -1.416 1.555 1.00 45.41 H new ATOM 0 HH TYR A 19 5.798 -3.520 0.991 1.00 12.12 H new ATOM 305 N ASP A 20 5.825 3.826 -0.037 1.00 14.22 N ATOM 306 CA ASP A 20 5.863 5.024 0.794 1.00 35.02 C ATOM 307 C ASP A 20 7.301 5.465 1.047 1.00 31.41 C ATOM 308 O ASP A 20 8.074 4.756 1.689 1.00 23.45 O ATOM 309 CB ASP A 20 5.152 4.770 2.125 1.00 44.02 C ATOM 310 CG ASP A 20 5.705 3.562 2.855 1.00 62.33 C ATOM 311 OD1 ASP A 20 5.384 2.426 2.449 1.00 75.42 O ATOM 312 OD2 ASP A 20 6.459 3.752 3.832 1.00 12.14 O ATOM 0 H ASP A 20 5.894 2.950 0.482 1.00 14.22 H new ATOM 0 HA ASP A 20 5.346 5.822 0.261 1.00 35.02 H new ATOM 0 HB2 ASP A 20 5.250 5.651 2.760 1.00 44.02 H new ATOM 0 HB3 ASP A 20 4.087 4.625 1.943 1.00 44.02 H new ATOM 317 N GLY A 21 7.653 6.640 0.536 1.00 41.52 N ATOM 318 CA GLY A 21 8.998 7.155 0.716 1.00 61.22 C ATOM 319 C GLY A 21 10.040 6.318 0.000 1.00 75.23 C ATOM 320 O GLY A 21 11.238 6.487 0.219 1.00 23.15 O ATOM 0 H GLY A 21 7.031 7.245 0.000 1.00 41.52 H new ATOM 0 HA2 GLY A 21 9.044 8.180 0.347 1.00 61.22 H new ATOM 0 HA3 GLY A 21 9.232 7.188 1.780 1.00 61.22 H new ATOM 324 N GLU A 22 9.581 5.412 -0.858 1.00 32.41 N ATOM 325 CA GLU A 22 10.483 4.544 -1.606 1.00 75.32 C ATOM 326 C GLU A 22 10.800 5.139 -2.975 1.00 14.10 C ATOM 327 O GLU A 22 9.899 5.435 -3.761 1.00 35.52 O ATOM 328 CB GLU A 22 9.866 3.153 -1.773 1.00 42.20 C ATOM 329 CG GLU A 22 10.806 2.143 -2.409 1.00 24.12 C ATOM 330 CD GLU A 22 11.345 1.138 -1.409 1.00 60.23 C ATOM 331 OE1 GLU A 22 11.901 1.568 -0.377 1.00 41.31 O ATOM 332 OE2 GLU A 22 11.211 -0.078 -1.659 1.00 30.21 O ATOM 0 H GLU A 22 8.591 5.260 -1.052 1.00 32.41 H new ATOM 0 HA GLU A 22 11.412 4.457 -1.043 1.00 75.32 H new ATOM 0 HB2 GLU A 22 9.556 2.783 -0.796 1.00 42.20 H new ATOM 0 HB3 GLU A 22 8.967 3.234 -2.384 1.00 42.20 H new ATOM 0 HG2 GLU A 22 10.281 1.613 -3.204 1.00 24.12 H new ATOM 0 HG3 GLU A 22 11.639 2.670 -2.874 1.00 24.12 H new ATOM 339 N THR A 23 12.088 5.314 -3.254 1.00 73.40 N ATOM 340 CA THR A 23 12.525 5.875 -4.526 1.00 20.02 C ATOM 341 C THR A 23 12.358 4.868 -5.658 1.00 23.32 C ATOM 342 O THR A 23 12.254 3.664 -5.421 1.00 34.52 O ATOM 343 CB THR A 23 13.997 6.323 -4.465 1.00 45.25 C ATOM 344 OG1 THR A 23 14.427 6.769 -5.757 1.00 22.04 O ATOM 345 CG2 THR A 23 14.890 5.186 -3.993 1.00 24.20 C ATOM 0 H THR A 23 12.847 5.075 -2.616 1.00 73.40 H new ATOM 0 HA THR A 23 11.896 6.744 -4.721 1.00 20.02 H new ATOM 0 HB THR A 23 14.075 7.144 -3.753 1.00 45.25 H new ATOM 0 HG1 THR A 23 15.363 7.054 -5.710 1.00 22.04 H new ATOM 0 HG21 THR A 23 15.925 5.527 -3.958 1.00 24.20 H new ATOM 0 HG22 THR A 23 14.579 4.868 -2.998 1.00 24.20 H new ATOM 0 HG23 THR A 23 14.807 4.347 -4.684 1.00 24.20 H new ATOM 353 N LEU A 24 12.335 5.367 -6.889 1.00 31.23 N ATOM 354 CA LEU A 24 12.182 4.509 -8.059 1.00 53.51 C ATOM 355 C LEU A 24 13.325 3.504 -8.151 1.00 33.32 C ATOM 356 O LEU A 24 13.191 2.452 -8.777 1.00 65.44 O ATOM 357 CB LEU A 24 12.128 5.356 -9.332 1.00 65.22 C ATOM 358 CG LEU A 24 13.296 6.320 -9.547 1.00 21.52 C ATOM 359 CD1 LEU A 24 14.479 5.595 -10.171 1.00 35.11 C ATOM 360 CD2 LEU A 24 12.867 7.492 -10.417 1.00 20.12 C ATOM 0 H LEU A 24 12.420 6.361 -7.103 1.00 31.23 H new ATOM 0 HA LEU A 24 11.247 3.958 -7.956 1.00 53.51 H new ATOM 0 HB2 LEU A 24 12.075 4.685 -10.189 1.00 65.22 H new ATOM 0 HB3 LEU A 24 11.204 5.933 -9.321 1.00 65.22 H new ATOM 0 HG LEU A 24 13.605 6.708 -8.576 1.00 21.52 H new ATOM 0 HD11 LEU A 24 15.300 6.297 -10.316 1.00 35.11 H new ATOM 0 HD12 LEU A 24 14.802 4.790 -9.511 1.00 35.11 H new ATOM 0 HD13 LEU A 24 14.183 5.178 -11.134 1.00 35.11 H new ATOM 0 HD21 LEU A 24 13.711 8.167 -10.559 1.00 20.12 H new ATOM 0 HD22 LEU A 24 12.531 7.122 -11.386 1.00 20.12 H new ATOM 0 HD23 LEU A 24 12.052 8.027 -9.930 1.00 20.12 H new ATOM 372 N LEU A 25 14.447 3.833 -7.521 1.00 20.42 N ATOM 373 CA LEU A 25 15.614 2.957 -7.529 1.00 72.10 C ATOM 374 C LEU A 25 15.237 1.543 -7.098 1.00 54.12 C ATOM 375 O LEU A 25 15.504 0.575 -7.810 1.00 32.35 O ATOM 376 CB LEU A 25 16.699 3.512 -6.604 1.00 72.34 C ATOM 377 CG LEU A 25 17.965 4.026 -7.289 1.00 44.41 C ATOM 378 CD1 LEU A 25 18.607 2.927 -8.121 1.00 22.33 C ATOM 379 CD2 LEU A 25 17.649 5.237 -8.155 1.00 61.13 C ATOM 0 H LEU A 25 14.574 4.700 -6.998 1.00 20.42 H new ATOM 0 HA LEU A 25 15.999 2.916 -8.548 1.00 72.10 H new ATOM 0 HB2 LEU A 25 16.269 4.326 -6.020 1.00 72.34 H new ATOM 0 HB3 LEU A 25 16.983 2.730 -5.900 1.00 72.34 H new ATOM 0 HG LEU A 25 18.673 4.330 -6.518 1.00 44.41 H new ATOM 0 HD11 LEU A 25 19.507 3.312 -8.601 1.00 22.33 H new ATOM 0 HD12 LEU A 25 18.870 2.089 -7.476 1.00 22.33 H new ATOM 0 HD13 LEU A 25 17.905 2.591 -8.884 1.00 22.33 H new ATOM 0 HD21 LEU A 25 18.562 5.589 -8.635 1.00 61.13 H new ATOM 0 HD22 LEU A 25 16.922 4.959 -8.918 1.00 61.13 H new ATOM 0 HD23 LEU A 25 17.236 6.031 -7.533 1.00 61.13 H new ATOM 391 N SER A 26 14.612 1.433 -5.930 1.00 23.30 N ATOM 392 CA SER A 26 14.199 0.137 -5.403 1.00 43.14 C ATOM 393 C SER A 26 13.200 -0.536 -6.339 1.00 70.12 C ATOM 394 O SER A 26 13.131 -1.764 -6.413 1.00 54.33 O ATOM 395 CB SER A 26 13.583 0.301 -4.013 1.00 14.10 C ATOM 396 OG SER A 26 12.171 0.185 -4.064 1.00 42.32 O ATOM 0 H SER A 26 14.381 2.225 -5.331 1.00 23.30 H new ATOM 0 HA SER A 26 15.083 -0.496 -5.328 1.00 43.14 H new ATOM 0 HB2 SER A 26 13.989 -0.455 -3.340 1.00 14.10 H new ATOM 0 HB3 SER A 26 13.857 1.273 -3.603 1.00 14.10 H new ATOM 0 HG SER A 26 11.851 -0.268 -3.256 1.00 42.32 H new ATOM 402 N LEU A 27 12.427 0.276 -7.052 1.00 64.13 N ATOM 403 CA LEU A 27 11.431 -0.240 -7.985 1.00 13.54 C ATOM 404 C LEU A 27 12.083 -1.116 -9.049 1.00 74.20 C ATOM 405 O LEU A 27 11.435 -1.982 -9.637 1.00 14.24 O ATOM 406 CB LEU A 27 10.680 0.916 -8.649 1.00 34.30 C ATOM 407 CG LEU A 27 9.167 0.742 -8.785 1.00 55.41 C ATOM 408 CD1 LEU A 27 8.507 0.719 -7.415 1.00 55.12 C ATOM 409 CD2 LEU A 27 8.578 1.852 -9.644 1.00 33.00 C ATOM 0 H LEU A 27 12.471 1.294 -7.002 1.00 64.13 H new ATOM 0 HA LEU A 27 10.724 -0.850 -7.423 1.00 13.54 H new ATOM 0 HB2 LEU A 27 10.871 1.824 -8.077 1.00 34.30 H new ATOM 0 HB3 LEU A 27 11.099 1.072 -9.643 1.00 34.30 H new ATOM 0 HG LEU A 27 8.973 -0.212 -9.275 1.00 55.41 H new ATOM 0 HD11 LEU A 27 7.430 0.594 -7.532 1.00 55.12 H new ATOM 0 HD12 LEU A 27 8.907 -0.111 -6.832 1.00 55.12 H new ATOM 0 HD13 LEU A 27 8.710 1.657 -6.898 1.00 55.12 H new ATOM 0 HD21 LEU A 27 7.500 1.712 -9.730 1.00 33.00 H new ATOM 0 HD22 LEU A 27 8.783 2.818 -9.182 1.00 33.00 H new ATOM 0 HD23 LEU A 27 9.028 1.822 -10.636 1.00 33.00 H new ATOM 421 N ALA A 28 13.369 -0.887 -9.290 1.00 63.04 N ATOM 422 CA ALA A 28 14.110 -1.659 -10.281 1.00 0.44 C ATOM 423 C ALA A 28 14.043 -3.151 -9.976 1.00 22.24 C ATOM 424 O ALA A 28 14.199 -3.985 -10.868 1.00 61.22 O ATOM 425 CB ALA A 28 15.558 -1.194 -10.337 1.00 13.23 C ATOM 0 H ALA A 28 13.920 -0.173 -8.813 1.00 63.04 H new ATOM 0 HA ALA A 28 13.649 -1.493 -11.254 1.00 0.44 H new ATOM 0 HB1 ALA A 28 16.099 -1.779 -11.081 1.00 13.23 H new ATOM 0 HB2 ALA A 28 15.591 -0.139 -10.610 1.00 13.23 H new ATOM 0 HB3 ALA A 28 16.022 -1.330 -9.360 1.00 13.23 H new ATOM 431 N HIS A 29 13.811 -3.482 -8.709 1.00 61.02 N ATOM 432 CA HIS A 29 13.724 -4.875 -8.287 1.00 32.43 C ATOM 433 C HIS A 29 12.509 -5.557 -8.909 1.00 13.42 C ATOM 434 O HIS A 29 12.591 -6.696 -9.369 1.00 4.51 O ATOM 435 CB HIS A 29 13.648 -4.964 -6.762 1.00 61.22 C ATOM 436 CG HIS A 29 14.819 -4.340 -6.067 1.00 32.31 C ATOM 437 ND1 HIS A 29 14.723 -3.725 -4.837 1.00 10.13 N ATOM 438 CD2 HIS A 29 16.117 -4.240 -6.436 1.00 23.52 C ATOM 439 CE1 HIS A 29 15.912 -3.272 -4.480 1.00 35.03 C ATOM 440 NE2 HIS A 29 16.775 -3.572 -5.433 1.00 24.44 N ATOM 0 H HIS A 29 13.680 -2.805 -7.958 1.00 61.02 H new ATOM 0 HA HIS A 29 14.622 -5.389 -8.630 1.00 32.43 H new ATOM 0 HB2 HIS A 29 12.733 -4.478 -6.423 1.00 61.22 H new ATOM 0 HB3 HIS A 29 13.579 -6.012 -6.470 1.00 61.22 H new ATOM 0 HD2 HIS A 29 16.554 -4.616 -7.349 1.00 23.52 H new ATOM 0 HE1 HIS A 29 16.139 -2.746 -3.565 1.00 35.03 H new ATOM 0 HE2 HIS A 29 17.769 -3.344 -5.425 1.00 24.44 H new ATOM 716 N VAL A 50 7.416 14.834 1.088 1.00 50.15 N ATOM 717 CA VAL A 50 6.374 14.823 0.068 1.00 62.55 C ATOM 718 C VAL A 50 6.948 15.144 -1.308 1.00 21.22 C ATOM 719 O VAL A 50 7.872 15.948 -1.433 1.00 51.34 O ATOM 720 CB VAL A 50 5.258 15.832 0.394 1.00 34.23 C ATOM 721 CG1 VAL A 50 4.541 15.439 1.677 1.00 73.40 C ATOM 722 CG2 VAL A 50 5.826 17.239 0.501 1.00 23.35 C ATOM 0 HA VAL A 50 5.953 13.818 0.058 1.00 62.55 H new ATOM 0 HB VAL A 50 4.532 15.819 -0.419 1.00 34.23 H new ATOM 0 HG11 VAL A 50 3.756 16.164 1.891 1.00 73.40 H new ATOM 0 HG12 VAL A 50 4.099 14.450 1.559 1.00 73.40 H new ATOM 0 HG13 VAL A 50 5.254 15.422 2.501 1.00 73.40 H new ATOM 0 HG21 VAL A 50 5.023 17.939 0.732 1.00 23.35 H new ATOM 0 HG22 VAL A 50 6.574 17.270 1.294 1.00 23.35 H new ATOM 0 HG23 VAL A 50 6.289 17.517 -0.446 1.00 23.35 H new ATOM 732 N ILE A 51 6.395 14.511 -2.336 1.00 74.44 N ATOM 733 CA ILE A 51 6.851 14.731 -3.703 1.00 75.53 C ATOM 734 C ILE A 51 5.679 14.734 -4.680 1.00 1.44 C ATOM 735 O ILE A 51 5.055 13.701 -4.919 1.00 75.43 O ATOM 736 CB ILE A 51 7.864 13.655 -4.139 1.00 14.33 C ATOM 737 CG1 ILE A 51 7.934 13.578 -5.665 1.00 72.02 C ATOM 738 CG2 ILE A 51 7.487 12.304 -3.551 1.00 75.52 C ATOM 739 CD1 ILE A 51 9.078 12.730 -6.175 1.00 41.42 C ATOM 0 H ILE A 51 5.630 13.842 -2.249 1.00 74.44 H new ATOM 0 HA ILE A 51 7.338 15.706 -3.720 1.00 75.53 H new ATOM 0 HB ILE A 51 8.849 13.930 -3.763 1.00 14.33 H new ATOM 0 HG12 ILE A 51 6.995 13.173 -6.044 1.00 72.02 H new ATOM 0 HG13 ILE A 51 8.032 14.586 -6.068 1.00 72.02 H new ATOM 0 HG21 ILE A 51 8.212 11.554 -3.868 1.00 75.52 H new ATOM 0 HG22 ILE A 51 7.484 12.369 -2.463 1.00 75.52 H new ATOM 0 HG23 ILE A 51 6.494 12.019 -3.900 1.00 75.52 H new ATOM 0 HD11 ILE A 51 9.066 12.720 -7.265 1.00 41.42 H new ATOM 0 HD12 ILE A 51 10.023 13.146 -5.826 1.00 41.42 H new ATOM 0 HD13 ILE A 51 8.970 11.711 -5.802 1.00 41.42 H new ATOM 751 N ILE A 52 5.388 15.903 -5.241 1.00 61.12 N ATOM 752 CA ILE A 52 4.294 16.040 -6.194 1.00 53.40 C ATOM 753 C ILE A 52 4.753 16.759 -7.458 1.00 74.24 C ATOM 754 O ILE A 52 5.783 17.433 -7.463 1.00 32.35 O ATOM 755 CB ILE A 52 3.108 16.809 -5.582 1.00 53.11 C ATOM 756 CG1 ILE A 52 3.612 17.883 -4.616 1.00 12.11 C ATOM 757 CG2 ILE A 52 2.165 15.850 -4.871 1.00 71.31 C ATOM 758 CD1 ILE A 52 4.534 18.893 -5.263 1.00 20.24 C ATOM 0 H ILE A 52 5.894 16.768 -5.052 1.00 61.12 H new ATOM 0 HA ILE A 52 3.970 15.031 -6.450 1.00 53.40 H new ATOM 0 HB ILE A 52 2.558 17.299 -6.386 1.00 53.11 H new ATOM 0 HG12 ILE A 52 2.757 18.406 -4.188 1.00 12.11 H new ATOM 0 HG13 ILE A 52 4.136 17.401 -3.791 1.00 12.11 H new ATOM 0 HG21 ILE A 52 1.332 16.409 -4.444 1.00 71.31 H new ATOM 0 HG22 ILE A 52 1.784 15.119 -5.584 1.00 71.31 H new ATOM 0 HG23 ILE A 52 2.702 15.335 -4.075 1.00 71.31 H new ATOM 0 HD11 ILE A 52 4.852 19.624 -4.520 1.00 20.24 H new ATOM 0 HD12 ILE A 52 5.408 18.382 -5.666 1.00 20.24 H new ATOM 0 HD13 ILE A 52 4.007 19.402 -6.070 1.00 20.24 H new ATOM 770 N ASP A 53 3.980 16.611 -8.529 1.00 42.51 N ATOM 771 CA ASP A 53 4.305 17.249 -9.800 1.00 24.31 C ATOM 772 C ASP A 53 4.612 18.730 -9.602 1.00 64.13 C ATOM 773 O ASP A 53 4.232 19.340 -8.603 1.00 31.12 O ATOM 774 CB ASP A 53 3.150 17.082 -10.789 1.00 4.14 C ATOM 775 CG ASP A 53 1.795 17.179 -10.117 1.00 33.21 C ATOM 776 OD1 ASP A 53 1.649 18.004 -9.191 1.00 43.13 O ATOM 777 OD2 ASP A 53 0.879 16.429 -10.516 1.00 64.42 O ATOM 0 H ASP A 53 3.125 16.055 -8.542 1.00 42.51 H new ATOM 0 HA ASP A 53 5.193 16.764 -10.205 1.00 24.31 H new ATOM 0 HB2 ASP A 53 3.224 17.846 -11.563 1.00 4.14 H new ATOM 0 HB3 ASP A 53 3.238 16.116 -11.286 1.00 4.14 H new ATOM 782 N PRO A 54 5.318 19.323 -10.576 1.00 45.31 N ATOM 783 CA PRO A 54 5.693 20.740 -10.532 1.00 31.12 C ATOM 784 C PRO A 54 4.492 21.663 -10.706 1.00 34.31 C ATOM 785 O PRO A 54 4.581 22.866 -10.462 1.00 52.03 O ATOM 786 CB PRO A 54 6.657 20.889 -11.711 1.00 62.02 C ATOM 787 CG PRO A 54 6.275 19.800 -12.653 1.00 60.20 C ATOM 788 CD PRO A 54 5.805 18.657 -11.796 1.00 1.11 C ATOM 0 HA PRO A 54 6.127 21.017 -9.571 1.00 31.12 H new ATOM 0 HB2 PRO A 54 6.561 21.869 -12.179 1.00 62.02 H new ATOM 0 HB3 PRO A 54 7.694 20.789 -11.390 1.00 62.02 H new ATOM 0 HG2 PRO A 54 5.487 20.129 -13.331 1.00 60.20 H new ATOM 0 HG3 PRO A 54 7.123 19.502 -13.270 1.00 60.20 H new ATOM 0 HD2 PRO A 54 5.015 18.086 -12.285 1.00 1.11 H new ATOM 0 HD3 PRO A 54 6.614 17.960 -11.578 1.00 1.11 H new ATOM 796 N SER A 55 3.368 21.091 -11.128 1.00 44.24 N ATOM 797 CA SER A 55 2.150 21.864 -11.338 1.00 73.23 C ATOM 798 C SER A 55 1.444 22.136 -10.013 1.00 71.23 C ATOM 799 O SER A 55 0.718 23.120 -9.875 1.00 74.02 O ATOM 800 CB SER A 55 1.207 21.122 -12.288 1.00 64.21 C ATOM 801 OG SER A 55 1.816 20.914 -13.551 1.00 30.22 O ATOM 0 H SER A 55 3.276 20.096 -11.331 1.00 44.24 H new ATOM 0 HA SER A 55 2.428 22.819 -11.785 1.00 73.23 H new ATOM 0 HB2 SER A 55 0.928 20.162 -11.853 1.00 64.21 H new ATOM 0 HB3 SER A 55 0.288 21.694 -12.414 1.00 64.21 H new ATOM 0 HG SER A 55 1.194 20.437 -14.139 1.00 30.22 H new ATOM 807 N TRP A 56 1.663 21.257 -9.042 1.00 63.45 N ATOM 808 CA TRP A 56 1.049 21.401 -7.728 1.00 34.13 C ATOM 809 C TRP A 56 2.005 22.076 -6.751 1.00 20.12 C ATOM 810 O TRP A 56 1.579 22.659 -5.754 1.00 3.25 O ATOM 811 CB TRP A 56 0.627 20.034 -7.186 1.00 64.11 C ATOM 812 CG TRP A 56 -0.589 19.477 -7.861 1.00 71.42 C ATOM 813 CD1 TRP A 56 -1.001 19.722 -9.140 1.00 34.40 C ATOM 814 CD2 TRP A 56 -1.551 18.583 -7.292 1.00 34.54 C ATOM 815 NE1 TRP A 56 -2.162 19.033 -9.400 1.00 11.54 N ATOM 816 CE2 TRP A 56 -2.520 18.327 -8.282 1.00 63.42 C ATOM 817 CE3 TRP A 56 -1.688 17.972 -6.042 1.00 74.33 C ATOM 818 CZ2 TRP A 56 -3.608 17.488 -8.059 1.00 73.34 C ATOM 819 CZ3 TRP A 56 -2.770 17.140 -5.823 1.00 25.44 C ATOM 820 CH2 TRP A 56 -3.718 16.903 -6.827 1.00 24.00 C ATOM 0 H TRP A 56 2.261 20.437 -9.140 1.00 63.45 H new ATOM 0 HA TRP A 56 0.165 22.030 -7.835 1.00 34.13 H new ATOM 0 HB2 TRP A 56 1.453 19.333 -7.305 1.00 64.11 H new ATOM 0 HB3 TRP A 56 0.433 20.119 -6.117 1.00 64.11 H new ATOM 0 HD1 TRP A 56 -0.490 20.363 -9.843 1.00 34.40 H new ATOM 0 HE1 TRP A 56 -2.674 19.045 -10.282 1.00 11.54 H new ATOM 0 HE3 TRP A 56 -0.962 18.147 -5.262 1.00 74.33 H new ATOM 0 HZ2 TRP A 56 -4.340 17.305 -8.832 1.00 73.34 H new ATOM 0 HZ3 TRP A 56 -2.887 16.664 -4.861 1.00 25.44 H new ATOM 0 HH2 TRP A 56 -4.551 16.246 -6.625 1.00 24.00 H new ATOM 831 N TYR A 57 3.298 21.993 -7.043 1.00 41.11 N ATOM 832 CA TYR A 57 4.315 22.595 -6.188 1.00 70.55 C ATOM 833 C TYR A 57 3.995 24.060 -5.909 1.00 73.22 C ATOM 834 O TYR A 57 3.983 24.496 -4.758 1.00 33.31 O ATOM 835 CB TYR A 57 5.694 22.478 -6.841 1.00 34.43 C ATOM 836 CG TYR A 57 6.770 23.265 -6.127 1.00 74.44 C ATOM 837 CD1 TYR A 57 7.001 24.600 -6.435 1.00 32.33 C ATOM 838 CD2 TYR A 57 7.555 22.673 -5.145 1.00 54.02 C ATOM 839 CE1 TYR A 57 7.983 25.322 -5.786 1.00 4.10 C ATOM 840 CE2 TYR A 57 8.539 23.388 -4.490 1.00 55.23 C ATOM 841 CZ TYR A 57 8.749 24.712 -4.814 1.00 44.25 C ATOM 842 OH TYR A 57 9.728 25.429 -4.165 1.00 22.10 O ATOM 0 H TYR A 57 3.667 21.515 -7.865 1.00 41.11 H new ATOM 0 HA TYR A 57 4.322 22.057 -5.240 1.00 70.55 H new ATOM 0 HB2 TYR A 57 5.984 21.428 -6.873 1.00 34.43 H new ATOM 0 HB3 TYR A 57 5.628 22.822 -7.873 1.00 34.43 H new ATOM 0 HD1 TYR A 57 6.403 25.081 -7.195 1.00 32.33 H new ATOM 0 HD2 TYR A 57 7.393 21.636 -4.889 1.00 54.02 H new ATOM 0 HE1 TYR A 57 8.151 26.359 -6.038 1.00 4.10 H new ATOM 0 HE2 TYR A 57 9.140 22.913 -3.729 1.00 55.23 H new ATOM 0 HH TYR A 57 9.335 26.234 -3.768 1.00 22.10 H new ATOM 852 N ASP A 58 3.735 24.814 -6.971 1.00 42.41 N ATOM 853 CA ASP A 58 3.413 26.231 -6.842 1.00 72.22 C ATOM 854 C ASP A 58 2.157 26.428 -5.999 1.00 74.43 C ATOM 855 O ASP A 58 1.970 27.476 -5.381 1.00 5.01 O ATOM 856 CB ASP A 58 3.219 26.859 -8.223 1.00 40.41 C ATOM 857 CG ASP A 58 3.091 28.369 -8.159 1.00 63.34 C ATOM 858 OD1 ASP A 58 3.776 28.987 -7.317 1.00 74.44 O ATOM 859 OD2 ASP A 58 2.306 28.932 -8.951 1.00 22.00 O ATOM 0 H ASP A 58 3.741 24.468 -7.931 1.00 42.41 H new ATOM 0 HA ASP A 58 4.246 26.724 -6.341 1.00 72.22 H new ATOM 0 HB2 ASP A 58 4.063 26.595 -8.861 1.00 40.41 H new ATOM 0 HB3 ASP A 58 2.326 26.441 -8.687 1.00 40.41 H new ATOM 864 N ILE A 59 1.298 25.414 -5.981 1.00 20.24 N ATOM 865 CA ILE A 59 0.060 25.476 -5.214 1.00 30.12 C ATOM 866 C ILE A 59 0.313 25.194 -3.737 1.00 24.12 C ATOM 867 O ILE A 59 -0.094 25.965 -2.868 1.00 23.14 O ATOM 868 CB ILE A 59 -0.982 24.474 -5.745 1.00 21.33 C ATOM 869 CG1 ILE A 59 -1.296 24.762 -7.214 1.00 73.22 C ATOM 870 CG2 ILE A 59 -2.249 24.532 -4.905 1.00 12.30 C ATOM 871 CD1 ILE A 59 -2.072 23.655 -7.894 1.00 44.45 C ATOM 0 H ILE A 59 1.437 24.540 -6.489 1.00 20.24 H new ATOM 0 HA ILE A 59 -0.330 26.488 -5.327 1.00 30.12 H new ATOM 0 HB ILE A 59 -0.568 23.469 -5.672 1.00 21.33 H new ATOM 0 HG12 ILE A 59 -1.866 25.688 -7.280 1.00 73.22 H new ATOM 0 HG13 ILE A 59 -0.362 24.924 -7.752 1.00 73.22 H new ATOM 0 HG21 ILE A 59 -2.976 23.818 -5.293 1.00 12.30 H new ATOM 0 HG22 ILE A 59 -2.012 24.283 -3.871 1.00 12.30 H new ATOM 0 HG23 ILE A 59 -2.669 25.537 -4.949 1.00 12.30 H new ATOM 0 HD11 ILE A 59 -2.259 23.927 -8.933 1.00 44.45 H new ATOM 0 HD12 ILE A 59 -1.494 22.731 -7.859 1.00 44.45 H new ATOM 0 HD13 ILE A 59 -3.022 23.508 -7.380 1.00 44.45 H new ATOM 883 N VAL A 60 0.991 24.084 -3.459 1.00 55.24 N ATOM 884 CA VAL A 60 1.302 23.701 -2.087 1.00 53.24 C ATOM 885 C VAL A 60 2.262 24.695 -1.444 1.00 12.13 C ATOM 886 O VAL A 60 2.291 24.843 -0.222 1.00 74.45 O ATOM 887 CB VAL A 60 1.920 22.292 -2.025 1.00 4.13 C ATOM 888 CG1 VAL A 60 0.911 21.245 -2.469 1.00 73.03 C ATOM 889 CG2 VAL A 60 3.180 22.225 -2.875 1.00 52.34 C ATOM 0 H VAL A 60 1.335 23.435 -4.166 1.00 55.24 H new ATOM 0 HA VAL A 60 0.361 23.701 -1.536 1.00 53.24 H new ATOM 0 HB VAL A 60 2.195 22.081 -0.992 1.00 4.13 H new ATOM 0 HG11 VAL A 60 1.367 20.256 -2.418 1.00 73.03 H new ATOM 0 HG12 VAL A 60 0.041 21.278 -1.814 1.00 73.03 H new ATOM 0 HG13 VAL A 60 0.601 21.450 -3.494 1.00 73.03 H new ATOM 0 HG21 VAL A 60 3.603 21.222 -2.819 1.00 52.34 H new ATOM 0 HG22 VAL A 60 2.933 22.458 -3.911 1.00 52.34 H new ATOM 0 HG23 VAL A 60 3.908 22.947 -2.505 1.00 52.34 H new ATOM 899 N GLU A 61 3.046 25.375 -2.274 1.00 62.24 N ATOM 900 CA GLU A 61 4.008 26.355 -1.785 1.00 44.21 C ATOM 901 C GLU A 61 3.309 27.651 -1.384 1.00 71.22 C ATOM 902 O GLU A 61 3.748 28.347 -0.469 1.00 72.12 O ATOM 903 CB GLU A 61 5.065 26.643 -2.854 1.00 22.24 C ATOM 904 CG GLU A 61 5.971 27.814 -2.514 1.00 3.14 C ATOM 905 CD GLU A 61 7.101 27.986 -3.510 1.00 40.24 C ATOM 906 OE1 GLU A 61 6.815 28.301 -4.684 1.00 75.02 O ATOM 907 OE2 GLU A 61 8.272 27.806 -3.116 1.00 2.14 O ATOM 0 H GLU A 61 3.034 25.265 -3.288 1.00 62.24 H new ATOM 0 HA GLU A 61 4.496 25.938 -0.904 1.00 44.21 H new ATOM 0 HB2 GLU A 61 5.676 25.752 -2.998 1.00 22.24 H new ATOM 0 HB3 GLU A 61 4.566 26.844 -3.802 1.00 22.24 H new ATOM 0 HG2 GLU A 61 5.379 28.729 -2.480 1.00 3.14 H new ATOM 0 HG3 GLU A 61 6.389 27.668 -1.518 1.00 3.14 H new ATOM 914 N GLN A 62 2.219 27.967 -2.077 1.00 23.25 N ATOM 915 CA GLN A 62 1.460 29.179 -1.794 1.00 11.03 C ATOM 916 C GLN A 62 0.366 28.909 -0.765 1.00 65.04 C ATOM 917 O GLN A 62 -0.057 29.812 -0.043 1.00 33.31 O ATOM 918 CB GLN A 62 0.842 29.731 -3.080 1.00 21.23 C ATOM 919 CG GLN A 62 -0.262 28.855 -3.649 1.00 34.25 C ATOM 920 CD GLN A 62 -1.010 29.523 -4.785 1.00 51.14 C ATOM 921 OE1 GLN A 62 -1.950 30.287 -4.562 1.00 24.03 O ATOM 922 NE2 GLN A 62 -0.596 29.239 -6.015 1.00 31.44 N ATOM 0 H GLN A 62 1.843 27.401 -2.837 1.00 23.25 H new ATOM 0 HA GLN A 62 2.146 29.919 -1.382 1.00 11.03 H new ATOM 0 HB2 GLN A 62 0.440 30.725 -2.883 1.00 21.23 H new ATOM 0 HB3 GLN A 62 1.625 29.847 -3.829 1.00 21.23 H new ATOM 0 HG2 GLN A 62 0.169 27.919 -4.004 1.00 34.25 H new ATOM 0 HG3 GLN A 62 -0.965 28.602 -2.855 1.00 34.25 H new ATOM 0 HE21 GLN A 62 0.187 28.600 -6.155 1.00 31.44 H new ATOM 0 HE22 GLN A 62 -1.061 29.660 -6.819 1.00 31.44 H new ATOM 931 N HIS A 63 -0.087 27.661 -0.705 1.00 21.12 N ATOM 932 CA HIS A 63 -1.132 27.272 0.236 1.00 64.22 C ATOM 933 C HIS A 63 -0.559 27.088 1.638 1.00 12.10 C ATOM 934 O HIS A 63 -1.270 27.228 2.632 1.00 32.11 O ATOM 935 CB HIS A 63 -1.807 25.980 -0.225 1.00 70.13 C ATOM 936 CG HIS A 63 -2.845 25.473 0.728 1.00 1.34 C ATOM 937 ND1 HIS A 63 -2.943 24.149 1.100 1.00 10.01 N ATOM 938 CD2 HIS A 63 -3.832 26.122 1.389 1.00 54.04 C ATOM 939 CE1 HIS A 63 -3.947 24.005 1.946 1.00 32.13 C ATOM 940 NE2 HIS A 63 -4.503 25.187 2.139 1.00 52.45 N ATOM 0 H HIS A 63 0.253 26.902 -1.296 1.00 21.12 H new ATOM 0 HA HIS A 63 -1.874 28.070 0.267 1.00 64.22 H new ATOM 0 HB2 HIS A 63 -2.270 26.149 -1.197 1.00 70.13 H new ATOM 0 HB3 HIS A 63 -1.046 25.212 -0.363 1.00 70.13 H new ATOM 0 HD2 HIS A 63 -4.051 27.178 1.336 1.00 54.04 H new ATOM 0 HE1 HIS A 63 -4.260 23.078 2.403 1.00 32.13 H new ATOM 0 HE2 HIS A 63 -5.301 25.375 2.746 1.00 52.45 H new ATOM 948 N ASN A 64 0.730 26.773 1.709 1.00 1.41 N ATOM 949 CA ASN A 64 1.398 26.569 2.990 1.00 54.13 C ATOM 950 C ASN A 64 2.508 27.596 3.194 1.00 33.53 C ATOM 951 O ASN A 64 3.363 27.779 2.329 1.00 51.40 O ATOM 952 CB ASN A 64 1.975 25.154 3.068 1.00 50.45 C ATOM 953 CG ASN A 64 0.981 24.154 3.626 1.00 3.33 C ATOM 954 OD1 ASN A 64 -0.040 23.863 3.003 1.00 24.52 O ATOM 955 ND2 ASN A 64 1.277 23.624 4.807 1.00 34.14 N ATOM 0 H ASN A 64 1.333 26.653 0.895 1.00 1.41 H new ATOM 0 HA ASN A 64 0.660 26.697 3.782 1.00 54.13 H new ATOM 0 HB2 ASN A 64 2.286 24.836 2.073 1.00 50.45 H new ATOM 0 HB3 ASN A 64 2.868 25.163 3.694 1.00 50.45 H new ATOM 0 HD21 ASN A 64 0.646 22.946 5.234 1.00 34.14 H new ATOM 0 HD22 ASN A 64 2.135 23.895 5.287 1.00 34.14 H new ATOM 962 N GLU A 65 2.487 28.260 4.345 1.00 13.43 N ATOM 963 CA GLU A 65 3.492 29.268 4.663 1.00 54.21 C ATOM 964 C GLU A 65 4.725 28.627 5.293 1.00 52.21 C ATOM 965 O GLU A 65 4.630 27.595 5.958 1.00 15.31 O ATOM 966 CB GLU A 65 2.910 30.320 5.610 1.00 32.20 C ATOM 967 CG GLU A 65 2.560 29.774 6.984 1.00 11.12 C ATOM 968 CD GLU A 65 1.698 30.728 7.789 1.00 43.03 C ATOM 969 OE1 GLU A 65 0.518 30.911 7.424 1.00 12.22 O ATOM 970 OE2 GLU A 65 2.204 31.291 8.782 1.00 51.33 O ATOM 0 H GLU A 65 1.786 28.119 5.072 1.00 13.43 H new ATOM 0 HA GLU A 65 3.791 29.752 3.733 1.00 54.21 H new ATOM 0 HB2 GLU A 65 3.628 31.132 5.723 1.00 32.20 H new ATOM 0 HB3 GLU A 65 2.014 30.747 5.159 1.00 32.20 H new ATOM 0 HG2 GLU A 65 2.037 28.825 6.871 1.00 11.12 H new ATOM 0 HG3 GLU A 65 3.478 29.568 7.534 1.00 11.12 H new ATOM 977 N ILE A 66 5.881 29.246 5.078 1.00 71.33 N ATOM 978 CA ILE A 66 7.133 28.736 5.624 1.00 15.54 C ATOM 979 C ILE A 66 7.664 29.650 6.724 1.00 30.50 C ATOM 980 O ILE A 66 7.769 30.862 6.541 1.00 11.33 O ATOM 981 CB ILE A 66 8.207 28.590 4.530 1.00 15.43 C ATOM 982 CG1 ILE A 66 8.294 29.871 3.697 1.00 24.40 C ATOM 983 CG2 ILE A 66 7.899 27.394 3.642 1.00 14.02 C ATOM 984 CD1 ILE A 66 9.358 29.821 2.623 1.00 24.30 C ATOM 0 H ILE A 66 5.977 30.101 4.530 1.00 71.33 H new ATOM 0 HA ILE A 66 6.918 27.753 6.043 1.00 15.54 H new ATOM 0 HB ILE A 66 9.172 28.423 5.008 1.00 15.43 H new ATOM 0 HG12 ILE A 66 7.327 30.058 3.231 1.00 24.40 H new ATOM 0 HG13 ILE A 66 8.497 30.713 4.359 1.00 24.40 H new ATOM 0 HG21 ILE A 66 8.667 27.304 2.874 1.00 14.02 H new ATOM 0 HG22 ILE A 66 7.882 26.487 4.246 1.00 14.02 H new ATOM 0 HG23 ILE A 66 6.927 27.533 3.169 1.00 14.02 H new ATOM 0 HD11 ILE A 66 9.363 30.761 2.072 1.00 24.30 H new ATOM 0 HD12 ILE A 66 10.333 29.665 3.084 1.00 24.30 H new ATOM 0 HD13 ILE A 66 9.145 29.000 1.938 1.00 24.30 H new ATOM 996 N SER A 67 8.000 29.058 7.866 1.00 33.00 N ATOM 997 CA SER A 67 8.519 29.818 8.997 1.00 40.22 C ATOM 998 C SER A 67 10.022 30.039 8.858 1.00 2.24 C ATOM 999 O SER A 67 10.626 29.663 7.854 1.00 63.32 O ATOM 1000 CB SER A 67 8.218 29.091 10.309 1.00 54.22 C ATOM 1001 OG SER A 67 6.826 28.872 10.462 1.00 21.51 O ATOM 0 H SER A 67 7.922 28.055 8.032 1.00 33.00 H new ATOM 0 HA SER A 67 8.025 30.790 9.007 1.00 40.22 H new ATOM 0 HB2 SER A 67 8.744 28.137 10.329 1.00 54.22 H new ATOM 0 HB3 SER A 67 8.592 29.678 11.148 1.00 54.22 H new ATOM 0 HG SER A 67 6.659 28.404 11.307 1.00 21.51 H new ATOM 1007 N ASP A 68 10.620 30.652 9.874 1.00 15.23 N ATOM 1008 CA ASP A 68 12.052 30.923 9.868 1.00 4.41 C ATOM 1009 C ASP A 68 12.849 29.631 9.716 1.00 42.54 C ATOM 1010 O ASP A 68 13.886 29.606 9.053 1.00 32.42 O ATOM 1011 CB ASP A 68 12.463 31.641 11.155 1.00 52.54 C ATOM 1012 CG ASP A 68 11.806 33.001 11.294 1.00 70.23 C ATOM 1013 OD1 ASP A 68 12.324 33.973 10.706 1.00 41.42 O ATOM 1014 OD2 ASP A 68 10.773 33.092 11.990 1.00 64.24 O ATOM 0 H ASP A 68 10.134 30.971 10.712 1.00 15.23 H new ATOM 0 HA ASP A 68 12.271 31.567 9.016 1.00 4.41 H new ATOM 0 HB2 ASP A 68 12.198 31.023 12.013 1.00 52.54 H new ATOM 0 HB3 ASP A 68 13.546 31.761 11.171 1.00 52.54 H new ATOM 1019 N GLU A 69 12.358 28.562 10.334 1.00 12.43 N ATOM 1020 CA GLU A 69 13.026 27.268 10.268 1.00 30.02 C ATOM 1021 C GLU A 69 12.674 26.540 8.974 1.00 23.42 C ATOM 1022 O GLU A 69 13.528 25.905 8.356 1.00 22.22 O ATOM 1023 CB GLU A 69 12.639 26.407 11.472 1.00 14.14 C ATOM 1024 CG GLU A 69 11.147 26.135 11.572 1.00 51.43 C ATOM 1025 CD GLU A 69 10.776 25.364 12.824 1.00 45.14 C ATOM 1026 OE1 GLU A 69 11.641 24.629 13.344 1.00 23.41 O ATOM 1027 OE2 GLU A 69 9.623 25.495 13.282 1.00 13.55 O ATOM 0 H GLU A 69 11.500 28.566 10.886 1.00 12.43 H new ATOM 0 HA GLU A 69 14.102 27.442 10.286 1.00 30.02 H new ATOM 0 HB2 GLU A 69 13.170 25.457 11.414 1.00 14.14 H new ATOM 0 HB3 GLU A 69 12.971 26.903 12.384 1.00 14.14 H new ATOM 0 HG2 GLU A 69 10.607 27.082 11.560 1.00 51.43 H new ATOM 0 HG3 GLU A 69 10.825 25.573 10.695 1.00 51.43 H new ATOM 1034 N GLU A 70 11.411 26.636 8.572 1.00 50.51 N ATOM 1035 CA GLU A 70 10.946 25.986 7.353 1.00 62.34 C ATOM 1036 C GLU A 70 11.636 26.574 6.125 1.00 31.01 C ATOM 1037 O GLU A 70 12.296 25.862 5.370 1.00 72.51 O ATOM 1038 CB GLU A 70 9.429 26.131 7.217 1.00 30.42 C ATOM 1039 CG GLU A 70 8.775 24.994 6.450 1.00 20.41 C ATOM 1040 CD GLU A 70 8.440 23.809 7.336 1.00 43.14 C ATOM 1041 OE1 GLU A 70 8.083 24.029 8.512 1.00 73.04 O ATOM 1042 OE2 GLU A 70 8.536 22.662 6.852 1.00 70.34 O ATOM 0 H GLU A 70 10.692 27.158 9.073 1.00 50.51 H new ATOM 0 HA GLU A 70 11.198 24.928 7.418 1.00 62.34 H new ATOM 0 HB2 GLU A 70 8.987 26.188 8.212 1.00 30.42 H new ATOM 0 HB3 GLU A 70 9.206 27.072 6.715 1.00 30.42 H new ATOM 0 HG2 GLU A 70 7.863 25.358 5.976 1.00 20.41 H new ATOM 0 HG3 GLU A 70 9.442 24.669 5.651 1.00 20.41 H new ATOM 1049 N ASN A 71 11.477 27.879 5.933 1.00 11.51 N ATOM 1050 CA ASN A 71 12.083 28.564 4.797 1.00 11.41 C ATOM 1051 C ASN A 71 13.591 28.337 4.766 1.00 3.13 C ATOM 1052 O ASN A 71 14.212 28.363 3.703 1.00 13.02 O ATOM 1053 CB ASN A 71 11.783 30.063 4.859 1.00 11.44 C ATOM 1054 CG ASN A 71 12.336 30.814 3.663 1.00 34.11 C ATOM 1055 OD1 ASN A 71 12.223 30.359 2.525 1.00 72.03 O ATOM 1056 ND2 ASN A 71 12.937 31.970 3.917 1.00 44.13 N ATOM 0 H ASN A 71 10.934 28.484 6.549 1.00 11.51 H new ATOM 0 HA ASN A 71 11.652 28.152 3.885 1.00 11.41 H new ATOM 0 HB2 ASN A 71 10.705 30.213 4.912 1.00 11.44 H new ATOM 0 HB3 ASN A 71 12.208 30.478 5.773 1.00 11.44 H new ATOM 0 HD21 ASN A 71 13.328 32.520 3.152 1.00 44.13 H new ATOM 0 HD22 ASN A 71 13.007 32.308 4.877 1.00 44.13 H new ATOM 1063 N ASP A 72 14.174 28.114 5.939 1.00 43.01 N ATOM 1064 CA ASP A 72 15.610 27.880 6.047 1.00 53.21 C ATOM 1065 C ASP A 72 15.955 26.440 5.682 1.00 34.43 C ATOM 1066 O ASP A 72 17.066 26.150 5.240 1.00 52.32 O ATOM 1067 CB ASP A 72 16.093 28.190 7.464 1.00 3.53 C ATOM 1068 CG ASP A 72 17.581 27.954 7.633 1.00 21.53 C ATOM 1069 OD1 ASP A 72 18.372 28.824 7.214 1.00 44.14 O ATOM 1070 OD2 ASP A 72 17.954 26.898 8.186 1.00 23.00 O ATOM 0 H ASP A 72 13.675 28.090 6.828 1.00 43.01 H new ATOM 0 HA ASP A 72 16.115 28.544 5.346 1.00 53.21 H new ATOM 0 HB2 ASP A 72 15.863 29.228 7.704 1.00 3.53 H new ATOM 0 HB3 ASP A 72 15.547 27.570 8.175 1.00 3.53 H new ATOM 1075 N MET A 73 14.995 25.540 5.873 1.00 54.54 N ATOM 1076 CA MET A 73 15.197 24.130 5.563 1.00 23.25 C ATOM 1077 C MET A 73 15.574 23.943 4.097 1.00 11.21 C ATOM 1078 O MET A 73 16.350 23.050 3.754 1.00 41.53 O ATOM 1079 CB MET A 73 13.934 23.329 5.883 1.00 33.25 C ATOM 1080 CG MET A 73 14.166 21.828 5.950 1.00 40.12 C ATOM 1081 SD MET A 73 14.526 21.254 7.621 1.00 41.12 S ATOM 1082 CE MET A 73 16.205 20.663 7.421 1.00 1.24 C ATOM 0 H MET A 73 14.070 25.763 6.241 1.00 54.54 H new ATOM 0 HA MET A 73 16.017 23.763 6.180 1.00 23.25 H new ATOM 0 HB2 MET A 73 13.530 23.669 6.837 1.00 33.25 H new ATOM 0 HB3 MET A 73 13.179 23.538 5.125 1.00 33.25 H new ATOM 0 HG2 MET A 73 13.283 21.311 5.575 1.00 40.12 H new ATOM 0 HG3 MET A 73 14.994 21.563 5.293 1.00 40.12 H new ATOM 0 HE1 MET A 73 16.570 20.275 8.372 1.00 1.24 H new ATOM 0 HE2 MET A 73 16.225 19.870 6.674 1.00 1.24 H new ATOM 0 HE3 MET A 73 16.843 21.484 7.095 1.00 1.24 H new ATOM 1092 N LEU A 74 15.020 24.790 3.236 1.00 33.34 N ATOM 1093 CA LEU A 74 15.297 24.718 1.806 1.00 25.20 C ATOM 1094 C LEU A 74 16.643 25.359 1.480 1.00 74.34 C ATOM 1095 O LEU A 74 17.271 25.029 0.474 1.00 72.15 O ATOM 1096 CB LEU A 74 14.185 25.409 1.015 1.00 22.32 C ATOM 1097 CG LEU A 74 14.430 26.874 0.653 1.00 71.12 C ATOM 1098 CD1 LEU A 74 15.057 26.985 -0.728 1.00 65.31 C ATOM 1099 CD2 LEU A 74 13.130 27.663 0.715 1.00 61.13 C ATOM 0 H LEU A 74 14.376 25.535 3.504 1.00 33.34 H new ATOM 0 HA LEU A 74 15.337 23.667 1.521 1.00 25.20 H new ATOM 0 HB2 LEU A 74 14.021 24.850 0.094 1.00 22.32 H new ATOM 0 HB3 LEU A 74 13.263 25.348 1.593 1.00 22.32 H new ATOM 0 HG LEU A 74 15.124 27.297 1.380 1.00 71.12 H new ATOM 0 HD11 LEU A 74 15.224 28.035 -0.968 1.00 65.31 H new ATOM 0 HD12 LEU A 74 16.009 26.454 -0.739 1.00 65.31 H new ATOM 0 HD13 LEU A 74 14.388 26.545 -1.468 1.00 65.31 H new ATOM 0 HD21 LEU A 74 13.323 28.704 0.454 1.00 61.13 H new ATOM 0 HD22 LEU A 74 12.414 27.240 0.011 1.00 61.13 H new ATOM 0 HD23 LEU A 74 12.721 27.612 1.724 1.00 61.13 H new ATOM 1111 N ASP A 75 17.079 26.274 2.337 1.00 4.15 N ATOM 1112 CA ASP A 75 18.352 26.959 2.142 1.00 10.24 C ATOM 1113 C ASP A 75 19.497 25.957 2.030 1.00 52.23 C ATOM 1114 O ASP A 75 20.528 26.243 1.420 1.00 24.12 O ATOM 1115 CB ASP A 75 18.617 27.927 3.297 1.00 53.13 C ATOM 1116 CG ASP A 75 19.555 29.052 2.906 1.00 62.44 C ATOM 1117 OD1 ASP A 75 20.499 28.793 2.130 1.00 50.50 O ATOM 1118 OD2 ASP A 75 19.346 30.190 3.376 1.00 64.20 O ATOM 0 H ASP A 75 16.570 26.559 3.174 1.00 4.15 H new ATOM 0 HA ASP A 75 18.294 27.523 1.211 1.00 10.24 H new ATOM 0 HB2 ASP A 75 17.671 28.348 3.638 1.00 53.13 H new ATOM 0 HB3 ASP A 75 19.043 27.378 4.137 1.00 53.13 H new ATOM 1123 N LEU A 76 19.309 24.783 2.622 1.00 73.03 N ATOM 1124 CA LEU A 76 20.326 23.738 2.589 1.00 62.01 C ATOM 1125 C LEU A 76 19.942 22.635 1.608 1.00 45.04 C ATOM 1126 O LEU A 76 20.665 21.651 1.451 1.00 34.13 O ATOM 1127 CB LEU A 76 20.524 23.147 3.986 1.00 12.30 C ATOM 1128 CG LEU A 76 21.515 23.880 4.891 1.00 51.44 C ATOM 1129 CD1 LEU A 76 21.182 25.363 4.956 1.00 64.04 C ATOM 1130 CD2 LEU A 76 21.516 23.271 6.285 1.00 62.41 C ATOM 0 H LEU A 76 18.462 24.531 3.131 1.00 73.03 H new ATOM 0 HA LEU A 76 21.262 24.187 2.255 1.00 62.01 H new ATOM 0 HB2 LEU A 76 19.557 23.120 4.487 1.00 12.30 H new ATOM 0 HB3 LEU A 76 20.856 22.115 3.878 1.00 12.30 H new ATOM 0 HG LEU A 76 22.513 23.770 4.468 1.00 51.44 H new ATOM 0 HD11 LEU A 76 21.898 25.869 5.604 1.00 64.04 H new ATOM 0 HD12 LEU A 76 21.233 25.792 3.955 1.00 64.04 H new ATOM 0 HD13 LEU A 76 20.176 25.493 5.355 1.00 64.04 H new ATOM 0 HD21 LEU A 76 22.227 23.805 6.915 1.00 62.41 H new ATOM 0 HD22 LEU A 76 20.518 23.349 6.717 1.00 62.41 H new ATOM 0 HD23 LEU A 76 21.803 22.221 6.223 1.00 62.41 H new ATOM 1142 N ALA A 77 18.802 22.808 0.947 1.00 21.14 N ATOM 1143 CA ALA A 77 18.325 21.830 -0.022 1.00 33.51 C ATOM 1144 C ALA A 77 19.117 21.913 -1.322 1.00 23.10 C ATOM 1145 O ALA A 77 18.770 22.674 -2.225 1.00 12.41 O ATOM 1146 CB ALA A 77 16.841 22.034 -0.292 1.00 4.33 C ATOM 0 H ALA A 77 18.192 23.617 1.065 1.00 21.14 H new ATOM 0 HA ALA A 77 18.473 20.836 0.400 1.00 33.51 H new ATOM 0 HB1 ALA A 77 16.498 21.296 -1.018 1.00 4.33 H new ATOM 0 HB2 ALA A 77 16.283 21.916 0.637 1.00 4.33 H new ATOM 0 HB3 ALA A 77 16.678 23.036 -0.689 1.00 4.33 H new ATOM 1152 N PHE A 78 20.184 21.126 -1.410 1.00 64.15 N ATOM 1153 CA PHE A 78 21.028 21.112 -2.600 1.00 53.31 C ATOM 1154 C PHE A 78 20.925 19.773 -3.324 1.00 62.01 C ATOM 1155 O PHE A 78 21.097 18.714 -2.721 1.00 51.35 O ATOM 1156 CB PHE A 78 22.484 21.390 -2.222 1.00 1.20 C ATOM 1157 CG PHE A 78 23.317 21.888 -3.369 1.00 14.03 C ATOM 1158 CD1 PHE A 78 23.007 23.082 -4.000 1.00 11.02 C ATOM 1159 CD2 PHE A 78 24.409 21.162 -3.815 1.00 42.42 C ATOM 1160 CE1 PHE A 78 23.771 23.542 -5.056 1.00 31.22 C ATOM 1161 CE2 PHE A 78 25.177 21.617 -4.871 1.00 2.45 C ATOM 1162 CZ PHE A 78 24.858 22.809 -5.491 1.00 1.32 C ATOM 0 H PHE A 78 20.485 20.490 -0.672 1.00 64.15 H new ATOM 0 HA PHE A 78 20.679 21.896 -3.272 1.00 53.31 H new ATOM 0 HB2 PHE A 78 22.508 22.127 -1.419 1.00 1.20 H new ATOM 0 HB3 PHE A 78 22.930 20.476 -1.829 1.00 1.20 H new ATOM 0 HD1 PHE A 78 22.159 23.660 -3.663 1.00 11.02 H new ATOM 0 HD2 PHE A 78 24.664 20.230 -3.332 1.00 42.42 H new ATOM 0 HE1 PHE A 78 23.518 24.474 -5.541 1.00 31.22 H new ATOM 0 HE2 PHE A 78 26.025 21.041 -5.210 1.00 2.45 H new ATOM 0 HZ PHE A 78 25.457 23.168 -6.315 1.00 1.32 H new ATOM 1172 N GLY A 79 20.643 19.829 -4.622 1.00 61.33 N ATOM 1173 CA GLY A 79 20.522 18.615 -5.408 1.00 35.42 C ATOM 1174 C GLY A 79 19.079 18.191 -5.600 1.00 60.53 C ATOM 1175 O GLY A 79 18.762 17.443 -6.526 1.00 61.43 O ATOM 0 H GLY A 79 20.496 20.693 -5.143 1.00 61.33 H new ATOM 0 HA2 GLY A 79 20.985 18.769 -6.383 1.00 35.42 H new ATOM 0 HA3 GLY A 79 21.071 17.812 -4.917 1.00 35.42 H new ATOM 1179 N LEU A 80 18.202 18.667 -4.724 1.00 21.05 N ATOM 1180 CA LEU A 80 16.784 18.332 -4.800 1.00 24.51 C ATOM 1181 C LEU A 80 16.126 19.016 -5.993 1.00 44.35 C ATOM 1182 O LEU A 80 16.638 20.008 -6.514 1.00 54.41 O ATOM 1183 CB LEU A 80 16.074 18.739 -3.508 1.00 75.41 C ATOM 1184 CG LEU A 80 14.798 17.966 -3.172 1.00 32.43 C ATOM 1185 CD1 LEU A 80 15.135 16.565 -2.684 1.00 2.20 C ATOM 1186 CD2 LEU A 80 13.981 18.713 -2.128 1.00 54.33 C ATOM 0 H LEU A 80 18.448 19.287 -3.952 1.00 21.05 H new ATOM 0 HA LEU A 80 16.697 17.253 -4.931 1.00 24.51 H new ATOM 0 HB2 LEU A 80 16.774 18.623 -2.680 1.00 75.41 H new ATOM 0 HB3 LEU A 80 15.827 19.799 -3.571 1.00 75.41 H new ATOM 0 HG LEU A 80 14.200 17.879 -4.079 1.00 32.43 H new ATOM 0 HD11 LEU A 80 14.215 16.030 -2.450 1.00 2.20 H new ATOM 0 HD12 LEU A 80 15.678 16.029 -3.463 1.00 2.20 H new ATOM 0 HD13 LEU A 80 15.754 16.630 -1.789 1.00 2.20 H new ATOM 0 HD21 LEU A 80 13.077 18.148 -1.901 1.00 54.33 H new ATOM 0 HD22 LEU A 80 14.572 18.832 -1.220 1.00 54.33 H new ATOM 0 HD23 LEU A 80 13.708 19.695 -2.514 1.00 54.33 H new ATOM 1198 N THR A 81 14.987 18.482 -6.422 1.00 61.51 N ATOM 1199 CA THR A 81 14.258 19.041 -7.553 1.00 41.12 C ATOM 1200 C THR A 81 13.343 20.177 -7.110 1.00 21.11 C ATOM 1201 O THR A 81 13.151 20.401 -5.915 1.00 13.32 O ATOM 1202 CB THR A 81 13.415 17.966 -8.265 1.00 43.35 C ATOM 1203 OG1 THR A 81 12.712 17.176 -7.300 1.00 65.34 O ATOM 1204 CG2 THR A 81 14.295 17.068 -9.121 1.00 25.52 C ATOM 0 H THR A 81 14.549 17.662 -6.002 1.00 61.51 H new ATOM 0 HA THR A 81 15.003 19.428 -8.249 1.00 41.12 H new ATOM 0 HB THR A 81 12.697 18.469 -8.913 1.00 43.35 H new ATOM 0 HG1 THR A 81 12.059 16.606 -7.757 1.00 65.34 H new ATOM 0 HG21 THR A 81 13.678 16.317 -9.614 1.00 25.52 H new ATOM 0 HG22 THR A 81 14.805 17.669 -9.874 1.00 25.52 H new ATOM 0 HG23 THR A 81 15.033 16.574 -8.490 1.00 25.52 H new ATOM 1212 N ASP A 82 12.781 20.890 -8.079 1.00 72.15 N ATOM 1213 CA ASP A 82 11.884 22.002 -7.789 1.00 13.32 C ATOM 1214 C ASP A 82 10.467 21.503 -7.525 1.00 33.24 C ATOM 1215 O ASP A 82 9.574 22.282 -7.191 1.00 14.34 O ATOM 1216 CB ASP A 82 11.879 22.998 -8.950 1.00 13.14 C ATOM 1217 CG ASP A 82 13.242 23.616 -9.188 1.00 43.30 C ATOM 1218 OD1 ASP A 82 13.560 24.626 -8.526 1.00 2.34 O ATOM 1219 OD2 ASP A 82 13.992 23.090 -10.036 1.00 72.44 O ATOM 0 H ASP A 82 12.931 20.718 -9.073 1.00 72.15 H new ATOM 0 HA ASP A 82 12.246 22.504 -6.892 1.00 13.32 H new ATOM 0 HB2 ASP A 82 11.549 22.492 -9.857 1.00 13.14 H new ATOM 0 HB3 ASP A 82 11.156 23.788 -8.744 1.00 13.14 H new ATOM 1224 N THR A 83 10.267 20.197 -7.677 1.00 55.44 N ATOM 1225 CA THR A 83 8.958 19.594 -7.458 1.00 23.12 C ATOM 1226 C THR A 83 8.888 18.915 -6.095 1.00 14.34 C ATOM 1227 O THR A 83 7.803 18.686 -5.561 1.00 34.45 O ATOM 1228 CB THR A 83 8.626 18.561 -8.551 1.00 34.32 C ATOM 1229 OG1 THR A 83 9.321 17.336 -8.295 1.00 21.52 O ATOM 1230 CG2 THR A 83 9.005 19.087 -9.927 1.00 0.34 C ATOM 0 H THR A 83 10.995 19.537 -7.951 1.00 55.44 H new ATOM 0 HA THR A 83 8.227 20.401 -7.497 1.00 23.12 H new ATOM 0 HB THR A 83 7.551 18.379 -8.533 1.00 34.32 H new ATOM 0 HG1 THR A 83 9.103 16.684 -8.994 1.00 21.52 H new ATOM 0 HG21 THR A 83 8.761 18.340 -10.682 1.00 0.34 H new ATOM 0 HG22 THR A 83 8.451 20.004 -10.131 1.00 0.34 H new ATOM 0 HG23 THR A 83 10.075 19.295 -9.955 1.00 0.34 H new ATOM 1238 N SER A 84 10.051 18.597 -5.536 1.00 50.20 N ATOM 1239 CA SER A 84 10.121 17.942 -4.235 1.00 74.33 C ATOM 1240 C SER A 84 10.173 18.971 -3.110 1.00 71.14 C ATOM 1241 O SER A 84 11.076 19.806 -3.060 1.00 23.34 O ATOM 1242 CB SER A 84 11.347 17.030 -4.165 1.00 60.21 C ATOM 1243 OG SER A 84 11.466 16.433 -2.885 1.00 42.04 O ATOM 0 H SER A 84 10.958 18.782 -5.964 1.00 50.20 H new ATOM 0 HA SER A 84 9.221 17.339 -4.111 1.00 74.33 H new ATOM 0 HB2 SER A 84 11.271 16.254 -4.926 1.00 60.21 H new ATOM 0 HB3 SER A 84 12.246 17.606 -4.386 1.00 60.21 H new ATOM 0 HG SER A 84 12.034 15.637 -2.947 1.00 42.04 H new ATOM 1249 N ARG A 85 9.197 18.904 -2.210 1.00 44.42 N ATOM 1250 CA ARG A 85 9.131 19.831 -1.086 1.00 74.43 C ATOM 1251 C ARG A 85 9.436 19.115 0.227 1.00 40.35 C ATOM 1252 O ARG A 85 8.975 17.997 0.458 1.00 22.34 O ATOM 1253 CB ARG A 85 7.748 20.481 -1.015 1.00 73.13 C ATOM 1254 CG ARG A 85 7.616 21.728 -1.875 1.00 21.43 C ATOM 1255 CD ARG A 85 6.581 22.687 -1.309 1.00 51.33 C ATOM 1256 NE ARG A 85 6.969 23.201 0.002 1.00 71.33 N ATOM 1257 CZ ARG A 85 7.895 24.137 0.180 1.00 74.31 C ATOM 1258 NH1 ARG A 85 8.523 24.659 -0.864 1.00 4.00 N ATOM 1259 NH2 ARG A 85 8.192 24.552 1.404 1.00 5.33 N ATOM 0 H ARG A 85 8.442 18.219 -2.237 1.00 44.42 H new ATOM 0 HA ARG A 85 9.882 20.606 -1.241 1.00 74.43 H new ATOM 0 HB2 ARG A 85 6.998 19.754 -1.326 1.00 73.13 H new ATOM 0 HB3 ARG A 85 7.530 20.740 0.021 1.00 73.13 H new ATOM 0 HG2 ARG A 85 8.581 22.230 -1.941 1.00 21.43 H new ATOM 0 HG3 ARG A 85 7.335 21.444 -2.889 1.00 21.43 H new ATOM 0 HD2 ARG A 85 6.443 23.520 -1.999 1.00 51.33 H new ATOM 0 HD3 ARG A 85 5.621 22.178 -1.229 1.00 51.33 H new ATOM 0 HE ARG A 85 6.504 22.821 0.826 1.00 71.33 H new ATOM 0 HH11 ARG A 85 8.296 24.342 -1.807 1.00 4.00 H new ATOM 0 HH12 ARG A 85 9.234 25.377 -0.725 1.00 4.00 H new ATOM 0 HH21 ARG A 85 7.710 24.153 2.209 1.00 5.33 H new ATOM 0 HH22 ARG A 85 8.903 25.271 1.540 1.00 5.33 H new ATOM 1273 N LEU A 86 10.216 19.767 1.082 1.00 53.32 N ATOM 1274 CA LEU A 86 10.584 19.194 2.372 1.00 73.22 C ATOM 1275 C LEU A 86 11.152 17.789 2.201 1.00 61.31 C ATOM 1276 O LEU A 86 11.020 16.943 3.084 1.00 30.14 O ATOM 1277 CB LEU A 86 9.369 19.155 3.300 1.00 14.42 C ATOM 1278 CG LEU A 86 9.667 18.979 4.789 1.00 21.24 C ATOM 1279 CD1 LEU A 86 10.062 20.307 5.416 1.00 43.02 C ATOM 1280 CD2 LEU A 86 8.464 18.385 5.508 1.00 41.22 C ATOM 0 H LEU A 86 10.606 20.693 0.905 1.00 53.32 H new ATOM 0 HA LEU A 86 11.353 19.826 2.816 1.00 73.22 H new ATOM 0 HB2 LEU A 86 8.807 20.080 3.169 1.00 14.42 H new ATOM 0 HB3 LEU A 86 8.719 18.340 2.981 1.00 14.42 H new ATOM 0 HG LEU A 86 10.504 18.289 4.892 1.00 21.24 H new ATOM 0 HD11 LEU A 86 10.270 20.161 6.476 1.00 43.02 H new ATOM 0 HD12 LEU A 86 10.953 20.692 4.921 1.00 43.02 H new ATOM 0 HD13 LEU A 86 9.246 21.021 5.301 1.00 43.02 H new ATOM 0 HD21 LEU A 86 8.695 18.267 6.567 1.00 41.22 H new ATOM 0 HD22 LEU A 86 7.608 19.050 5.395 1.00 41.22 H new ATOM 0 HD23 LEU A 86 8.227 17.412 5.078 1.00 41.22 H new ATOM 1292 N GLY A 87 11.787 17.548 1.058 1.00 64.41 N ATOM 1293 CA GLY A 87 12.368 16.245 0.793 1.00 65.52 C ATOM 1294 C GLY A 87 13.879 16.246 0.923 1.00 73.14 C ATOM 1295 O GLY A 87 14.459 17.176 1.483 1.00 4.05 O ATOM 0 H GLY A 87 11.909 18.232 0.311 1.00 64.41 H new ATOM 0 HA2 GLY A 87 11.947 15.516 1.485 1.00 65.52 H new ATOM 0 HA3 GLY A 87 12.093 15.926 -0.212 1.00 65.52 H new ATOM 1299 N CYS A 88 14.516 15.202 0.405 1.00 62.20 N ATOM 1300 CA CYS A 88 15.969 15.085 0.468 1.00 72.21 C ATOM 1301 C CYS A 88 16.515 14.418 -0.790 1.00 45.02 C ATOM 1302 O CYS A 88 17.396 14.959 -1.458 1.00 2.53 O ATOM 1303 CB CYS A 88 16.384 14.286 1.704 1.00 12.24 C ATOM 1304 SG CYS A 88 16.606 15.291 3.191 1.00 23.43 S ATOM 0 H CYS A 88 14.050 14.425 -0.063 1.00 62.20 H new ATOM 0 HA CYS A 88 16.387 16.089 0.536 1.00 72.21 H new ATOM 0 HB2 CYS A 88 15.629 13.525 1.902 1.00 12.24 H new ATOM 0 HB3 CYS A 88 17.316 13.763 1.489 1.00 12.24 H new ATOM 0 HG CYS A 88 15.869 16.358 3.107 1.00 23.43 H new ATOM 1310 N GLN A 89 15.988 13.240 -1.106 1.00 70.30 N ATOM 1311 CA GLN A 89 16.425 12.498 -2.283 1.00 4.21 C ATOM 1312 C GLN A 89 15.251 12.208 -3.211 1.00 34.40 C ATOM 1313 O GLN A 89 15.301 11.281 -4.020 1.00 31.51 O ATOM 1314 CB GLN A 89 17.097 11.189 -1.866 1.00 24.20 C ATOM 1315 CG GLN A 89 18.181 10.728 -2.827 1.00 50.05 C ATOM 1316 CD GLN A 89 18.280 9.218 -2.915 1.00 21.22 C ATOM 1317 OE1 GLN A 89 18.048 8.629 -3.971 1.00 31.10 O ATOM 1318 NE2 GLN A 89 18.627 8.582 -1.802 1.00 33.31 N ATOM 0 H GLN A 89 15.258 12.779 -0.564 1.00 70.30 H new ATOM 0 HA GLN A 89 17.146 13.113 -2.822 1.00 4.21 H new ATOM 0 HB2 GLN A 89 17.531 11.313 -0.874 1.00 24.20 H new ATOM 0 HB3 GLN A 89 16.339 10.410 -1.786 1.00 24.20 H new ATOM 0 HG2 GLN A 89 17.978 11.133 -3.818 1.00 50.05 H new ATOM 0 HG3 GLN A 89 19.141 11.133 -2.507 1.00 50.05 H new ATOM 0 HE21 GLN A 89 18.810 9.110 -0.949 1.00 33.31 H new ATOM 0 HE22 GLN A 89 18.710 7.565 -1.800 1.00 33.31 H new ATOM 1327 N ILE A 90 14.195 13.005 -3.088 1.00 71.12 N ATOM 1328 CA ILE A 90 13.008 12.833 -3.917 1.00 0.12 C ATOM 1329 C ILE A 90 12.559 11.376 -3.938 1.00 51.04 C ATOM 1330 O ILE A 90 12.947 10.609 -4.821 1.00 12.55 O ATOM 1331 CB ILE A 90 13.258 13.303 -5.362 1.00 54.11 C ATOM 1332 CG1 ILE A 90 14.433 14.282 -5.408 1.00 21.54 C ATOM 1333 CG2 ILE A 90 12.003 13.947 -5.934 1.00 22.32 C ATOM 1334 CD1 ILE A 90 14.696 14.847 -6.786 1.00 31.41 C ATOM 0 H ILE A 90 14.137 13.776 -2.423 1.00 71.12 H new ATOM 0 HA ILE A 90 12.223 13.446 -3.475 1.00 0.12 H new ATOM 0 HB ILE A 90 13.509 12.435 -5.972 1.00 54.11 H new ATOM 0 HG12 ILE A 90 14.238 15.104 -4.719 1.00 21.54 H new ATOM 0 HG13 ILE A 90 15.331 13.776 -5.054 1.00 21.54 H new ATOM 0 HG21 ILE A 90 12.195 14.274 -6.956 1.00 22.32 H new ATOM 0 HG22 ILE A 90 11.189 13.222 -5.932 1.00 22.32 H new ATOM 0 HG23 ILE A 90 11.725 14.807 -5.324 1.00 22.32 H new ATOM 0 HD11 ILE A 90 15.542 15.533 -6.743 1.00 31.41 H new ATOM 0 HD12 ILE A 90 14.923 14.034 -7.475 1.00 31.41 H new ATOM 0 HD13 ILE A 90 13.813 15.382 -7.134 1.00 31.41 H new ATOM 1346 N ILE A 91 11.738 11.001 -2.963 1.00 40.21 N ATOM 1347 CA ILE A 91 11.234 9.637 -2.872 1.00 35.20 C ATOM 1348 C ILE A 91 9.709 9.610 -2.912 1.00 3.43 C ATOM 1349 O ILE A 91 9.045 10.166 -2.036 1.00 32.11 O ATOM 1350 CB ILE A 91 11.714 8.944 -1.583 1.00 63.45 C ATOM 1351 CG1 ILE A 91 11.581 9.890 -0.389 1.00 14.22 C ATOM 1352 CG2 ILE A 91 13.154 8.478 -1.738 1.00 63.45 C ATOM 1353 CD1 ILE A 91 11.908 9.240 0.937 1.00 65.10 C ATOM 0 H ILE A 91 11.408 11.623 -2.225 1.00 40.21 H new ATOM 0 HA ILE A 91 11.628 9.098 -3.733 1.00 35.20 H new ATOM 0 HB ILE A 91 11.087 8.071 -1.402 1.00 63.45 H new ATOM 0 HG12 ILE A 91 12.241 10.745 -0.538 1.00 14.22 H new ATOM 0 HG13 ILE A 91 10.562 10.276 -0.354 1.00 14.22 H new ATOM 0 HG21 ILE A 91 13.479 7.990 -0.819 1.00 63.45 H new ATOM 0 HG22 ILE A 91 13.221 7.773 -2.567 1.00 63.45 H new ATOM 0 HG23 ILE A 91 13.795 9.337 -1.939 1.00 63.45 H new ATOM 0 HD11 ILE A 91 11.792 9.970 1.738 1.00 65.10 H new ATOM 0 HD12 ILE A 91 11.232 8.403 1.108 1.00 65.10 H new ATOM 0 HD13 ILE A 91 12.936 8.878 0.921 1.00 65.10 H new ATOM 1365 N LEU A 92 9.161 8.960 -3.932 1.00 11.20 N ATOM 1366 CA LEU A 92 7.714 8.859 -4.086 1.00 33.14 C ATOM 1367 C LEU A 92 7.060 8.389 -2.790 1.00 1.41 C ATOM 1368 O LEU A 92 7.738 7.934 -1.869 1.00 24.34 O ATOM 1369 CB LEU A 92 7.368 7.896 -5.223 1.00 31.13 C ATOM 1370 CG LEU A 92 7.739 8.360 -6.632 1.00 15.34 C ATOM 1371 CD1 LEU A 92 8.162 7.178 -7.489 1.00 71.03 C ATOM 1372 CD2 LEU A 92 6.572 9.097 -7.274 1.00 45.32 C ATOM 0 H LEU A 92 9.697 8.495 -4.665 1.00 11.20 H new ATOM 0 HA LEU A 92 7.329 9.850 -4.327 1.00 33.14 H new ATOM 0 HB2 LEU A 92 7.867 6.946 -5.032 1.00 31.13 H new ATOM 0 HB3 LEU A 92 6.295 7.704 -5.196 1.00 31.13 H new ATOM 0 HG LEU A 92 8.581 9.048 -6.558 1.00 15.34 H new ATOM 0 HD11 LEU A 92 8.422 7.528 -8.488 1.00 71.03 H new ATOM 0 HD12 LEU A 92 9.027 6.692 -7.038 1.00 71.03 H new ATOM 0 HD13 LEU A 92 7.340 6.465 -7.557 1.00 71.03 H new ATOM 0 HD21 LEU A 92 6.853 9.420 -8.276 1.00 45.32 H new ATOM 0 HD22 LEU A 92 5.711 8.431 -7.335 1.00 45.32 H new ATOM 0 HD23 LEU A 92 6.315 9.968 -6.671 1.00 45.32 H new ATOM 1384 N THR A 93 5.737 8.502 -2.726 1.00 31.31 N ATOM 1385 CA THR A 93 4.991 8.088 -1.544 1.00 51.12 C ATOM 1386 C THR A 93 3.547 7.751 -1.896 1.00 35.11 C ATOM 1387 O THR A 93 3.031 8.180 -2.928 1.00 43.24 O ATOM 1388 CB THR A 93 5.001 9.183 -0.461 1.00 44.53 C ATOM 1389 OG1 THR A 93 3.876 9.022 0.410 1.00 43.24 O ATOM 1390 CG2 THR A 93 4.967 10.568 -1.091 1.00 61.44 C ATOM 0 H THR A 93 5.160 8.877 -3.479 1.00 31.31 H new ATOM 0 HA THR A 93 5.485 7.198 -1.154 1.00 51.12 H new ATOM 0 HB THR A 93 5.922 9.085 0.114 1.00 44.53 H new ATOM 0 HG1 THR A 93 3.891 9.721 1.097 1.00 43.24 H new ATOM 0 HG21 THR A 93 4.975 11.325 -0.307 1.00 61.44 H new ATOM 0 HG22 THR A 93 5.840 10.699 -1.730 1.00 61.44 H new ATOM 0 HG23 THR A 93 4.061 10.674 -1.688 1.00 61.44 H new ATOM 1398 N LYS A 94 2.896 6.980 -1.031 1.00 24.12 N ATOM 1399 CA LYS A 94 1.509 6.586 -1.248 1.00 65.02 C ATOM 1400 C LYS A 94 0.584 7.797 -1.191 1.00 45.53 C ATOM 1401 O LYS A 94 -0.584 7.715 -1.569 1.00 44.43 O ATOM 1402 CB LYS A 94 1.081 5.554 -0.202 1.00 51.24 C ATOM 1403 CG LYS A 94 0.253 6.141 0.928 1.00 44.41 C ATOM 1404 CD LYS A 94 0.259 5.239 2.150 1.00 30.22 C ATOM 1405 CE LYS A 94 0.728 5.984 3.391 1.00 73.52 C ATOM 1406 NZ LYS A 94 1.116 5.050 4.484 1.00 11.24 N ATOM 0 H LYS A 94 3.308 6.615 -0.172 1.00 24.12 H new ATOM 0 HA LYS A 94 1.435 6.141 -2.240 1.00 65.02 H new ATOM 0 HB2 LYS A 94 0.506 4.769 -0.693 1.00 51.24 H new ATOM 0 HB3 LYS A 94 1.970 5.083 0.217 1.00 51.24 H new ATOM 0 HG2 LYS A 94 0.646 7.122 1.197 1.00 44.41 H new ATOM 0 HG3 LYS A 94 -0.772 6.290 0.590 1.00 44.41 H new ATOM 0 HD2 LYS A 94 -0.744 4.845 2.318 1.00 30.22 H new ATOM 0 HD3 LYS A 94 0.911 4.384 1.969 1.00 30.22 H new ATOM 0 HE2 LYS A 94 1.578 6.617 3.135 1.00 73.52 H new ATOM 0 HE3 LYS A 94 -0.067 6.643 3.741 1.00 73.52 H new ATOM 0 HZ1 LYS A 94 1.430 5.596 5.312 1.00 11.24 H new ATOM 0 HZ2 LYS A 94 0.298 4.463 4.746 1.00 11.24 H new ATOM 0 HZ3 LYS A 94 1.891 4.438 4.159 1.00 11.24 H new ATOM 1420 N GLU A 95 1.116 8.920 -0.718 1.00 13.40 N ATOM 1421 CA GLU A 95 0.336 10.148 -0.613 1.00 44.41 C ATOM 1422 C GLU A 95 -0.271 10.524 -1.962 1.00 1.33 C ATOM 1423 O GLU A 95 -1.274 11.236 -2.027 1.00 42.41 O ATOM 1424 CB GLU A 95 1.213 11.293 -0.099 1.00 72.44 C ATOM 1425 CG GLU A 95 1.354 11.319 1.413 1.00 12.43 C ATOM 1426 CD GLU A 95 0.016 11.390 2.123 1.00 55.42 C ATOM 1427 OE1 GLU A 95 -0.783 12.293 1.796 1.00 4.42 O ATOM 1428 OE2 GLU A 95 -0.233 10.542 3.005 1.00 72.12 O ATOM 0 H GLU A 95 2.082 9.005 -0.402 1.00 13.40 H new ATOM 0 HA GLU A 95 -0.474 9.974 0.095 1.00 44.41 H new ATOM 0 HB2 GLU A 95 2.203 11.210 -0.547 1.00 72.44 H new ATOM 0 HB3 GLU A 95 0.791 12.241 -0.433 1.00 72.44 H new ATOM 0 HG2 GLU A 95 1.887 10.426 1.740 1.00 12.43 H new ATOM 0 HG3 GLU A 95 1.961 12.177 1.703 1.00 12.43 H new ATOM 1435 N LEU A 96 0.344 10.041 -3.036 1.00 10.43 N ATOM 1436 CA LEU A 96 -0.135 10.326 -4.384 1.00 44.30 C ATOM 1437 C LEU A 96 -1.047 9.211 -4.885 1.00 0.31 C ATOM 1438 O LEU A 96 -1.184 9.002 -6.090 1.00 54.54 O ATOM 1439 CB LEU A 96 1.047 10.502 -5.339 1.00 62.34 C ATOM 1440 CG LEU A 96 2.115 11.508 -4.909 1.00 55.40 C ATOM 1441 CD1 LEU A 96 3.211 10.817 -4.114 1.00 61.32 C ATOM 1442 CD2 LEU A 96 2.699 12.218 -6.122 1.00 72.51 C ATOM 0 H LEU A 96 1.175 9.451 -3.000 1.00 10.43 H new ATOM 0 HA LEU A 96 -0.709 11.252 -4.351 1.00 44.30 H new ATOM 0 HB2 LEU A 96 1.525 9.532 -5.476 1.00 62.34 H new ATOM 0 HB3 LEU A 96 0.660 10.807 -6.311 1.00 62.34 H new ATOM 0 HG LEU A 96 1.646 12.254 -4.268 1.00 55.40 H new ATOM 0 HD11 LEU A 96 3.962 11.549 -3.817 1.00 61.32 H new ATOM 0 HD12 LEU A 96 2.780 10.357 -3.224 1.00 61.32 H new ATOM 0 HD13 LEU A 96 3.678 10.048 -4.730 1.00 61.32 H new ATOM 0 HD21 LEU A 96 3.457 12.930 -5.797 1.00 72.51 H new ATOM 0 HD22 LEU A 96 3.152 11.485 -6.789 1.00 72.51 H new ATOM 0 HD23 LEU A 96 1.906 12.748 -6.650 1.00 72.51 H new ATOM 1454 N ASP A 97 -1.670 8.500 -3.952 1.00 23.31 N ATOM 1455 CA ASP A 97 -2.572 7.408 -4.298 1.00 72.14 C ATOM 1456 C ASP A 97 -3.693 7.898 -5.210 1.00 63.35 C ATOM 1457 O ASP A 97 -4.518 8.718 -4.811 1.00 42.34 O ATOM 1458 CB ASP A 97 -3.163 6.785 -3.033 1.00 15.34 C ATOM 1459 CG ASP A 97 -3.985 7.775 -2.230 1.00 71.01 C ATOM 1460 OD1 ASP A 97 -3.393 8.720 -1.667 1.00 62.33 O ATOM 1461 OD2 ASP A 97 -5.220 7.605 -2.166 1.00 14.34 O ATOM 0 H ASP A 97 -1.567 8.660 -2.950 1.00 23.31 H new ATOM 0 HA ASP A 97 -1.998 6.651 -4.832 1.00 72.14 H new ATOM 0 HB2 ASP A 97 -3.789 5.936 -3.308 1.00 15.34 H new ATOM 0 HB3 ASP A 97 -2.356 6.398 -2.411 1.00 15.34 H new ATOM 1466 N GLY A 98 -3.715 7.389 -6.439 1.00 25.33 N ATOM 1467 CA GLY A 98 -4.737 7.787 -7.389 1.00 22.14 C ATOM 1468 C GLY A 98 -4.454 9.140 -8.011 1.00 72.34 C ATOM 1469 O GLY A 98 -5.304 9.703 -8.703 1.00 0.13 O ATOM 0 H GLY A 98 -3.043 6.708 -6.793 1.00 25.33 H new ATOM 0 HA2 GLY A 98 -4.809 7.036 -8.176 1.00 22.14 H new ATOM 0 HA3 GLY A 98 -5.704 7.816 -6.887 1.00 22.14 H new ATOM 1473 N LEU A 99 -3.259 9.664 -7.766 1.00 24.01 N ATOM 1474 CA LEU A 99 -2.866 10.961 -8.307 1.00 32.15 C ATOM 1475 C LEU A 99 -1.762 10.805 -9.347 1.00 51.43 C ATOM 1476 O LEU A 99 -0.900 9.934 -9.227 1.00 1.23 O ATOM 1477 CB LEU A 99 -2.395 11.883 -7.181 1.00 14.42 C ATOM 1478 CG LEU A 99 -3.495 12.593 -6.390 1.00 73.13 C ATOM 1479 CD1 LEU A 99 -2.900 13.367 -5.224 1.00 50.04 C ATOM 1480 CD2 LEU A 99 -4.291 13.520 -7.298 1.00 21.04 C ATOM 0 H LEU A 99 -2.545 9.211 -7.196 1.00 24.01 H new ATOM 0 HA LEU A 99 -3.736 11.404 -8.792 1.00 32.15 H new ATOM 0 HB2 LEU A 99 -1.796 11.296 -6.485 1.00 14.42 H new ATOM 0 HB3 LEU A 99 -1.737 12.639 -7.609 1.00 14.42 H new ATOM 0 HG LEU A 99 -4.173 11.839 -5.990 1.00 73.13 H new ATOM 0 HD11 LEU A 99 -3.698 13.865 -4.673 1.00 50.04 H new ATOM 0 HD12 LEU A 99 -2.376 12.679 -4.561 1.00 50.04 H new ATOM 0 HD13 LEU A 99 -2.200 14.112 -5.601 1.00 50.04 H new ATOM 0 HD21 LEU A 99 -5.069 14.017 -6.719 1.00 21.04 H new ATOM 0 HD22 LEU A 99 -3.625 14.268 -7.728 1.00 21.04 H new ATOM 0 HD23 LEU A 99 -4.749 12.940 -8.099 1.00 21.04 H new ATOM 1492 N CYS A 100 -1.794 11.656 -10.367 1.00 4.10 N ATOM 1493 CA CYS A 100 -0.794 11.614 -11.429 1.00 13.42 C ATOM 1494 C CYS A 100 0.230 12.731 -11.255 1.00 61.14 C ATOM 1495 O CYS A 100 -0.128 13.890 -11.047 1.00 54.13 O ATOM 1496 CB CYS A 100 -1.468 11.732 -12.797 1.00 32.24 C ATOM 1497 SG CYS A 100 -2.885 10.631 -13.018 1.00 73.13 S ATOM 0 H CYS A 100 -2.501 12.383 -10.481 1.00 4.10 H new ATOM 0 HA CYS A 100 -0.275 10.657 -11.369 1.00 13.42 H new ATOM 0 HB2 CYS A 100 -1.795 12.762 -12.941 1.00 32.24 H new ATOM 0 HB3 CYS A 100 -0.732 11.520 -13.572 1.00 32.24 H new ATOM 0 HG CYS A 100 -3.389 10.805 -14.204 1.00 73.13 H new ATOM 1503 N VAL A 101 1.508 12.373 -11.341 1.00 54.51 N ATOM 1504 CA VAL A 101 2.585 13.345 -11.193 1.00 72.22 C ATOM 1505 C VAL A 101 3.734 13.041 -12.148 1.00 30.43 C ATOM 1506 O VAL A 101 3.786 11.968 -12.750 1.00 63.11 O ATOM 1507 CB VAL A 101 3.123 13.370 -9.750 1.00 44.34 C ATOM 1508 CG1 VAL A 101 2.035 13.806 -8.781 1.00 72.25 C ATOM 1509 CG2 VAL A 101 3.678 12.007 -9.365 1.00 14.11 C ATOM 0 H VAL A 101 1.822 11.418 -11.512 1.00 54.51 H new ATOM 0 HA VAL A 101 2.166 14.322 -11.433 1.00 72.22 H new ATOM 0 HB VAL A 101 3.935 14.095 -9.696 1.00 44.34 H new ATOM 0 HG11 VAL A 101 2.434 13.817 -7.767 1.00 72.25 H new ATOM 0 HG12 VAL A 101 1.690 14.805 -9.047 1.00 72.25 H new ATOM 0 HG13 VAL A 101 1.199 13.108 -8.834 1.00 72.25 H new ATOM 0 HG21 VAL A 101 4.054 12.043 -8.342 1.00 14.11 H new ATOM 0 HG22 VAL A 101 2.888 11.259 -9.435 1.00 14.11 H new ATOM 0 HG23 VAL A 101 4.491 11.741 -10.041 1.00 14.11 H new ATOM 1519 N ILE A 102 4.653 13.991 -12.280 1.00 50.03 N ATOM 1520 CA ILE A 102 5.803 13.824 -13.161 1.00 33.25 C ATOM 1521 C ILE A 102 6.936 13.090 -12.451 1.00 51.24 C ATOM 1522 O ILE A 102 7.120 13.231 -11.242 1.00 4.23 O ATOM 1523 CB ILE A 102 6.324 15.181 -13.670 1.00 30.43 C ATOM 1524 CG1 ILE A 102 5.217 15.930 -14.414 1.00 41.03 C ATOM 1525 CG2 ILE A 102 7.533 14.979 -14.571 1.00 3.25 C ATOM 1526 CD1 ILE A 102 4.746 15.224 -15.667 1.00 4.15 C ATOM 0 H ILE A 102 4.624 14.884 -11.788 1.00 50.03 H new ATOM 0 HA ILE A 102 5.466 13.232 -14.012 1.00 33.25 H new ATOM 0 HB ILE A 102 6.630 15.781 -12.813 1.00 30.43 H new ATOM 0 HG12 ILE A 102 4.369 16.068 -13.744 1.00 41.03 H new ATOM 0 HG13 ILE A 102 5.577 16.924 -14.680 1.00 41.03 H new ATOM 0 HG21 ILE A 102 7.890 15.947 -14.923 1.00 3.25 H new ATOM 0 HG22 ILE A 102 8.325 14.482 -14.011 1.00 3.25 H new ATOM 0 HG23 ILE A 102 7.251 14.364 -15.425 1.00 3.25 H new ATOM 0 HD11 ILE A 102 3.961 15.812 -16.143 1.00 4.15 H new ATOM 0 HD12 ILE A 102 5.582 15.110 -16.357 1.00 4.15 H new ATOM 0 HD13 ILE A 102 4.355 14.241 -15.405 1.00 4.15 H new ATOM 1538 N LEU A 103 7.694 12.308 -13.212 1.00 32.12 N ATOM 1539 CA LEU A 103 8.812 11.553 -12.657 1.00 32.50 C ATOM 1540 C LEU A 103 9.869 12.489 -12.080 1.00 73.11 C ATOM 1541 O LEU A 103 10.015 13.636 -12.504 1.00 23.42 O ATOM 1542 CB LEU A 103 9.435 10.662 -13.733 1.00 45.33 C ATOM 1543 CG LEU A 103 10.057 11.388 -14.927 1.00 75.24 C ATOM 1544 CD1 LEU A 103 11.493 11.783 -14.624 1.00 2.25 C ATOM 1545 CD2 LEU A 103 9.994 10.516 -16.173 1.00 35.31 C ATOM 0 H LEU A 103 7.555 12.180 -14.214 1.00 32.12 H new ATOM 0 HA LEU A 103 8.431 10.926 -11.851 1.00 32.50 H new ATOM 0 HB2 LEU A 103 10.204 10.046 -13.266 1.00 45.33 H new ATOM 0 HB3 LEU A 103 8.667 9.984 -14.105 1.00 45.33 H new ATOM 0 HG LEU A 103 9.484 12.296 -15.113 1.00 75.24 H new ATOM 0 HD11 LEU A 103 11.918 12.298 -15.485 1.00 2.25 H new ATOM 0 HD12 LEU A 103 11.513 12.445 -13.759 1.00 2.25 H new ATOM 0 HD13 LEU A 103 12.079 10.889 -14.410 1.00 2.25 H new ATOM 0 HD21 LEU A 103 10.441 11.048 -17.013 1.00 35.31 H new ATOM 0 HD22 LEU A 103 10.542 9.590 -15.997 1.00 35.31 H new ATOM 0 HD23 LEU A 103 8.954 10.284 -16.403 1.00 35.31 H new ATOM 1557 N PRO A 104 10.625 11.990 -11.091 1.00 43.03 N ATOM 1558 CA PRO A 104 11.684 12.764 -10.437 1.00 41.41 C ATOM 1559 C PRO A 104 12.875 13.010 -11.357 1.00 3.32 C ATOM 1560 O PRO A 104 13.357 14.137 -11.479 1.00 50.11 O ATOM 1561 CB PRO A 104 12.093 11.879 -9.257 1.00 44.41 C ATOM 1562 CG PRO A 104 11.733 10.496 -9.678 1.00 42.51 C ATOM 1563 CD PRO A 104 10.506 10.631 -10.536 1.00 52.33 C ATOM 0 HA PRO A 104 11.342 13.757 -10.144 1.00 41.41 H new ATOM 0 HB2 PRO A 104 13.160 11.965 -9.049 1.00 44.41 H new ATOM 0 HB3 PRO A 104 11.567 12.165 -8.346 1.00 44.41 H new ATOM 0 HG2 PRO A 104 12.548 10.032 -10.233 1.00 42.51 H new ATOM 0 HG3 PRO A 104 11.536 9.863 -8.813 1.00 42.51 H new ATOM 0 HD2 PRO A 104 10.481 9.877 -11.322 1.00 52.33 H new ATOM 0 HD3 PRO A 104 9.593 10.514 -9.952 1.00 52.33 H new ATOM 1571 N THR A 105 13.347 11.949 -12.003 1.00 60.24 N ATOM 1572 CA THR A 105 14.482 12.049 -12.912 1.00 3.33 C ATOM 1573 C THR A 105 14.416 10.979 -13.995 1.00 41.02 C ATOM 1574 O THR A 105 13.816 9.923 -13.800 1.00 73.23 O ATOM 1575 CB THR A 105 15.819 11.918 -12.157 1.00 72.03 C ATOM 1576 OG1 THR A 105 16.909 11.927 -13.086 1.00 74.11 O ATOM 1577 CG2 THR A 105 15.854 10.636 -11.338 1.00 42.54 C ATOM 0 H THR A 105 12.960 11.009 -11.913 1.00 60.24 H new ATOM 0 HA THR A 105 14.430 13.034 -13.376 1.00 3.33 H new ATOM 0 HB THR A 105 15.913 12.766 -11.479 1.00 72.03 H new ATOM 0 HG1 THR A 105 17.755 11.845 -12.598 1.00 74.11 H new ATOM 0 HG21 THR A 105 16.807 10.565 -10.814 1.00 42.54 H new ATOM 0 HG22 THR A 105 15.041 10.645 -10.612 1.00 42.54 H new ATOM 0 HG23 THR A 105 15.739 9.778 -12.000 1.00 42.54 H new ATOM 1585 N GLU A 106 15.038 11.259 -15.136 1.00 55.44 N ATOM 1586 CA GLU A 106 15.048 10.319 -16.251 1.00 21.02 C ATOM 1587 C GLU A 106 15.518 8.941 -15.795 1.00 62.40 C ATOM 1588 O GLU A 106 16.704 8.729 -15.538 1.00 50.30 O ATOM 1589 CB GLU A 106 15.953 10.833 -17.373 1.00 14.34 C ATOM 1590 CG GLU A 106 15.405 12.060 -18.082 1.00 75.14 C ATOM 1591 CD GLU A 106 16.044 12.283 -19.439 1.00 41.30 C ATOM 1592 OE1 GLU A 106 16.776 11.386 -19.906 1.00 33.42 O ATOM 1593 OE2 GLU A 106 15.812 13.357 -20.034 1.00 23.31 O ATOM 0 H GLU A 106 15.541 12.128 -15.313 1.00 55.44 H new ATOM 0 HA GLU A 106 14.029 10.231 -16.628 1.00 21.02 H new ATOM 0 HB2 GLU A 106 16.933 11.070 -16.958 1.00 14.34 H new ATOM 0 HB3 GLU A 106 16.100 10.037 -18.103 1.00 14.34 H new ATOM 0 HG2 GLU A 106 14.327 11.953 -18.205 1.00 75.14 H new ATOM 0 HG3 GLU A 106 15.569 12.939 -17.458 1.00 75.14 H new