USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 858 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 38 THR OG1 : rot -74:sc= 0.984 USER MOD Set 1.2: A 71 MET CE :methyl 140:sc= -1.68 (180deg=-4.64!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 56:sc= 0.0298 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -1.14! C(o=-1.1!,f=-11!) USER MOD Single : A 12 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0245) USER MOD Single : A 18 ASN :FLIP amide:sc= 0 F(o=-0.5,f=0) USER MOD Single : A 21 TYR OH : rot 100:sc= -0.792 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.279 USER MOD Single : A 43 ASN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 176:sc= 0.447 (180deg=0.177) USER MOD Single : A 58 HIS : no HD1:sc=-7.65e-05 X(o=-7.7e-05,f=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 144:sc= -0.294 (180deg=-1.19) USER MOD Single : A 87 HIS :FLIP no HE2:sc= 0.0381 F(o=-0.7,f=0.038) USER MOD Single : A 91 GLN :FLIP amide:sc= -0.67 F(o=-2.7!,f=-0.67) USER MOD Single : A 108 SER OG : rot 180:sc= -0.111 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.856 2.028 3.049 1.00 73.34 N ATOM 2 CA GLY A 1 10.487 1.458 2.992 1.00 62.13 C ATOM 3 C GLY A 1 10.424 0.094 3.652 1.00 61.10 C ATOM 4 O GLY A 1 10.119 -0.002 4.842 1.00 24.12 O ATOM 0 H1 GLY A 1 11.863 2.961 2.589 1.00 73.34 H new ATOM 0 H2 GLY A 1 12.149 2.130 4.042 1.00 73.34 H new ATOM 0 H3 GLY A 1 12.517 1.394 2.556 1.00 73.34 H new ATOM 0 HA2 GLY A 1 9.789 2.135 3.486 1.00 62.13 H new ATOM 0 HA3 GLY A 1 10.169 1.375 1.953 1.00 62.13 H new ATOM 10 N PRO A 2 10.700 -0.989 2.902 1.00 54.02 N ATOM 11 CA PRO A 2 10.777 -2.341 3.465 1.00 54.14 C ATOM 12 C PRO A 2 12.047 -2.543 4.302 1.00 12.11 C ATOM 13 O PRO A 2 12.726 -1.579 4.668 1.00 30.53 O ATOM 14 CB PRO A 2 10.788 -3.238 2.217 1.00 64.44 C ATOM 15 CG PRO A 2 11.398 -2.387 1.155 1.00 74.42 C ATOM 16 CD PRO A 2 10.935 -0.983 1.441 1.00 51.33 C ATOM 0 HA PRO A 2 9.956 -2.558 4.148 1.00 54.14 H new ATOM 0 HB2 PRO A 2 11.371 -4.144 2.384 1.00 64.44 H new ATOM 0 HB3 PRO A 2 9.781 -3.552 1.945 1.00 64.44 H new ATOM 0 HG2 PRO A 2 12.486 -2.453 1.178 1.00 74.42 H new ATOM 0 HG3 PRO A 2 11.080 -2.710 0.164 1.00 74.42 H new ATOM 0 HD2 PRO A 2 11.687 -0.247 1.158 1.00 51.33 H new ATOM 0 HD3 PRO A 2 10.027 -0.739 0.889 1.00 51.33 H new ATOM 24 N GLY A 3 12.361 -3.797 4.595 1.00 32.55 N ATOM 25 CA GLY A 3 13.512 -4.118 5.423 1.00 61.02 C ATOM 26 C GLY A 3 13.328 -5.454 6.103 1.00 31.51 C ATOM 27 O GLY A 3 14.139 -6.368 5.946 1.00 24.10 O ATOM 0 H GLY A 3 11.834 -4.608 4.271 1.00 32.55 H new ATOM 0 HA2 GLY A 3 14.413 -4.138 4.809 1.00 61.02 H new ATOM 0 HA3 GLY A 3 13.655 -3.340 6.173 1.00 61.02 H new ATOM 31 N SER A 4 12.243 -5.571 6.857 1.00 41.20 N ATOM 32 CA SER A 4 11.859 -6.831 7.467 1.00 34.13 C ATOM 33 C SER A 4 10.985 -7.626 6.494 1.00 22.30 C ATOM 34 O SER A 4 9.793 -7.834 6.728 1.00 41.31 O ATOM 35 CB SER A 4 11.129 -6.569 8.793 1.00 5.34 C ATOM 36 OG SER A 4 10.152 -5.548 8.648 1.00 55.43 O ATOM 0 H SER A 4 11.609 -4.798 7.060 1.00 41.20 H new ATOM 0 HA SER A 4 12.748 -7.422 7.686 1.00 34.13 H new ATOM 0 HB2 SER A 4 10.652 -7.487 9.136 1.00 5.34 H new ATOM 0 HB3 SER A 4 11.850 -6.280 9.557 1.00 5.34 H new ATOM 0 HG SER A 4 9.531 -5.789 7.929 1.00 55.43 H new ATOM 42 N MET A 5 11.585 -8.025 5.376 1.00 64.41 N ATOM 43 CA MET A 5 10.890 -8.790 4.338 1.00 24.34 C ATOM 44 C MET A 5 11.843 -9.845 3.765 1.00 51.43 C ATOM 45 O MET A 5 12.818 -10.219 4.421 1.00 54.22 O ATOM 46 CB MET A 5 10.367 -7.848 3.234 1.00 2.21 C ATOM 47 CG MET A 5 11.441 -7.345 2.277 1.00 62.13 C ATOM 48 SD MET A 5 12.782 -6.486 3.117 1.00 65.44 S ATOM 49 CE MET A 5 14.046 -6.561 1.851 1.00 30.13 C ATOM 0 H MET A 5 12.563 -7.829 5.162 1.00 64.41 H new ATOM 0 HA MET A 5 10.028 -9.296 4.772 1.00 24.34 H new ATOM 0 HB2 MET A 5 9.601 -8.370 2.660 1.00 2.21 H new ATOM 0 HB3 MET A 5 9.885 -6.990 3.703 1.00 2.21 H new ATOM 0 HG2 MET A 5 11.849 -8.189 1.721 1.00 62.13 H new ATOM 0 HG3 MET A 5 10.986 -6.674 1.549 1.00 62.13 H new ATOM 0 HE1 MET A 5 14.951 -6.071 2.211 1.00 30.13 H new ATOM 0 HE2 MET A 5 14.266 -7.603 1.618 1.00 30.13 H new ATOM 0 HE3 MET A 5 13.692 -6.055 0.953 1.00 30.13 H new ATOM 59 N VAL A 6 11.577 -10.317 2.549 1.00 42.23 N ATOM 60 CA VAL A 6 12.357 -11.402 1.954 1.00 64.21 C ATOM 61 C VAL A 6 12.739 -11.123 0.505 1.00 41.01 C ATOM 62 O VAL A 6 12.526 -10.031 -0.018 1.00 75.33 O ATOM 63 CB VAL A 6 11.577 -12.740 2.012 1.00 3.55 C ATOM 64 CG1 VAL A 6 11.555 -13.299 3.429 1.00 60.22 C ATOM 65 CG2 VAL A 6 10.151 -12.547 1.496 1.00 11.52 C ATOM 0 H VAL A 6 10.826 -9.965 1.955 1.00 42.23 H new ATOM 0 HA VAL A 6 13.271 -11.474 2.543 1.00 64.21 H new ATOM 0 HB VAL A 6 12.089 -13.458 1.372 1.00 3.55 H new ATOM 0 HG11 VAL A 6 11.001 -14.238 3.441 1.00 60.22 H new ATOM 0 HG12 VAL A 6 12.576 -13.476 3.766 1.00 60.22 H new ATOM 0 HG13 VAL A 6 11.071 -12.584 4.095 1.00 60.22 H new ATOM 0 HG21 VAL A 6 9.616 -13.495 1.543 1.00 11.52 H new ATOM 0 HG22 VAL A 6 9.638 -11.810 2.113 1.00 11.52 H new ATOM 0 HG23 VAL A 6 10.182 -12.198 0.464 1.00 11.52 H new ATOM 75 N ASN A 7 13.333 -12.150 -0.098 1.00 53.22 N ATOM 76 CA ASN A 7 13.726 -12.195 -1.508 1.00 71.21 C ATOM 77 C ASN A 7 12.669 -11.583 -2.422 1.00 44.52 C ATOM 78 O ASN A 7 11.489 -11.578 -2.089 1.00 33.22 O ATOM 79 CB ASN A 7 13.906 -13.672 -1.869 1.00 54.12 C ATOM 80 CG ASN A 7 14.551 -13.936 -3.222 1.00 14.33 C ATOM 81 OD1 ASN A 7 14.367 -13.195 -4.190 1.00 32.24 O ATOM 82 ND2 ASN A 7 15.290 -15.027 -3.295 1.00 52.12 N ATOM 0 H ASN A 7 13.564 -13.009 0.401 1.00 53.22 H new ATOM 0 HA ASN A 7 14.640 -11.618 -1.647 1.00 71.21 H new ATOM 0 HB2 ASN A 7 14.512 -14.147 -1.097 1.00 54.12 H new ATOM 0 HB3 ASN A 7 12.929 -14.156 -1.850 1.00 54.12 H new ATOM 0 HD21 ASN A 7 15.734 -15.284 -4.176 1.00 52.12 H new ATOM 0 HD22 ASN A 7 15.417 -15.613 -2.470 1.00 52.12 H new ATOM 89 N ALA A 8 13.101 -11.101 -3.583 1.00 60.32 N ATOM 90 CA ALA A 8 12.185 -10.592 -4.597 1.00 3.34 C ATOM 91 C ALA A 8 11.100 -11.629 -4.899 1.00 60.24 C ATOM 92 O ALA A 8 9.909 -11.323 -4.849 1.00 14.22 O ATOM 93 CB ALA A 8 12.952 -10.229 -5.863 1.00 31.02 C ATOM 0 H ALA A 8 14.085 -11.052 -3.846 1.00 60.32 H new ATOM 0 HA ALA A 8 11.702 -9.692 -4.217 1.00 3.34 H new ATOM 0 HB1 ALA A 8 12.258 -9.850 -6.613 1.00 31.02 H new ATOM 0 HB2 ALA A 8 13.692 -9.462 -5.633 1.00 31.02 H new ATOM 0 HB3 ALA A 8 13.456 -11.115 -6.250 1.00 31.02 H new ATOM 99 N PHE A 9 11.521 -12.862 -5.194 1.00 32.01 N ATOM 100 CA PHE A 9 10.581 -13.951 -5.462 1.00 51.44 C ATOM 101 C PHE A 9 9.625 -14.153 -4.284 1.00 64.40 C ATOM 102 O PHE A 9 8.407 -14.097 -4.438 1.00 61.22 O ATOM 103 CB PHE A 9 11.341 -15.256 -5.747 1.00 13.33 C ATOM 104 CG PHE A 9 10.446 -16.441 -6.040 1.00 33.31 C ATOM 105 CD1 PHE A 9 9.788 -16.542 -7.259 1.00 74.23 C ATOM 106 CD2 PHE A 9 10.265 -17.455 -5.106 1.00 60.44 C ATOM 107 CE1 PHE A 9 8.976 -17.623 -7.539 1.00 51.30 C ATOM 108 CE2 PHE A 9 9.453 -18.537 -5.383 1.00 44.20 C ATOM 109 CZ PHE A 9 8.808 -18.622 -6.600 1.00 62.30 C ATOM 0 H PHE A 9 12.504 -13.129 -5.253 1.00 32.01 H new ATOM 0 HA PHE A 9 9.995 -13.680 -6.340 1.00 51.44 H new ATOM 0 HB2 PHE A 9 12.006 -15.098 -6.596 1.00 13.33 H new ATOM 0 HB3 PHE A 9 11.970 -15.493 -4.889 1.00 13.33 H new ATOM 0 HD1 PHE A 9 9.913 -15.764 -7.998 1.00 74.23 H new ATOM 0 HD2 PHE A 9 10.766 -17.396 -4.151 1.00 60.44 H new ATOM 0 HE1 PHE A 9 8.472 -17.687 -8.492 1.00 51.30 H new ATOM 0 HE2 PHE A 9 9.323 -19.317 -4.647 1.00 44.20 H new ATOM 0 HZ PHE A 9 8.173 -19.468 -6.818 1.00 62.30 H new ATOM 119 N LEU A 10 10.200 -14.362 -3.105 1.00 11.31 N ATOM 120 CA LEU A 10 9.429 -14.695 -1.908 1.00 65.43 C ATOM 121 C LEU A 10 8.465 -13.564 -1.527 1.00 12.34 C ATOM 122 O LEU A 10 7.310 -13.814 -1.191 1.00 22.41 O ATOM 123 CB LEU A 10 10.378 -15.041 -0.746 1.00 53.03 C ATOM 124 CG LEU A 10 11.015 -16.446 -0.795 1.00 71.33 C ATOM 125 CD1 LEU A 10 9.939 -17.525 -0.853 1.00 60.00 C ATOM 126 CD2 LEU A 10 11.980 -16.589 -1.970 1.00 5.43 C ATOM 0 H LEU A 10 11.207 -14.306 -2.950 1.00 11.31 H new ATOM 0 HA LEU A 10 8.819 -15.571 -2.126 1.00 65.43 H new ATOM 0 HB2 LEU A 10 11.178 -14.301 -0.722 1.00 53.03 H new ATOM 0 HB3 LEU A 10 9.827 -14.945 0.189 1.00 53.03 H new ATOM 0 HG LEU A 10 11.590 -16.575 0.122 1.00 71.33 H new ATOM 0 HD11 LEU A 10 10.410 -18.507 -0.887 1.00 60.00 H new ATOM 0 HD12 LEU A 10 9.307 -17.456 0.032 1.00 60.00 H new ATOM 0 HD13 LEU A 10 9.330 -17.384 -1.746 1.00 60.00 H new ATOM 0 HD21 LEU A 10 12.408 -17.592 -1.970 1.00 5.43 H new ATOM 0 HD22 LEU A 10 11.443 -16.424 -2.904 1.00 5.43 H new ATOM 0 HD23 LEU A 10 12.779 -15.854 -1.876 1.00 5.43 H new ATOM 138 N ALA A 11 8.943 -12.325 -1.577 1.00 51.23 N ATOM 139 CA ALA A 11 8.094 -11.157 -1.340 1.00 43.20 C ATOM 140 C ALA A 11 6.910 -11.142 -2.309 1.00 60.02 C ATOM 141 O ALA A 11 5.770 -10.869 -1.916 1.00 21.33 O ATOM 142 CB ALA A 11 8.907 -9.873 -1.467 1.00 15.33 C ATOM 0 H ALA A 11 9.917 -12.101 -1.780 1.00 51.23 H new ATOM 0 HA ALA A 11 7.702 -11.219 -0.325 1.00 43.20 H new ATOM 0 HB1 ALA A 11 8.261 -9.014 -1.288 1.00 15.33 H new ATOM 0 HB2 ALA A 11 9.714 -9.879 -0.734 1.00 15.33 H new ATOM 0 HB3 ALA A 11 9.329 -9.807 -2.470 1.00 15.33 H new ATOM 148 N LYS A 12 7.186 -11.445 -3.580 1.00 75.22 N ATOM 149 CA LYS A 12 6.134 -11.564 -4.586 1.00 3.03 C ATOM 150 C LYS A 12 5.151 -12.659 -4.187 1.00 75.15 C ATOM 151 O LYS A 12 3.946 -12.507 -4.366 1.00 72.25 O ATOM 152 CB LYS A 12 6.724 -11.859 -5.981 1.00 62.31 C ATOM 153 CG LYS A 12 6.919 -10.623 -6.859 1.00 64.45 C ATOM 154 CD LYS A 12 7.807 -9.569 -6.203 1.00 25.11 C ATOM 155 CE LYS A 12 8.172 -8.452 -7.176 1.00 55.23 C ATOM 156 NZ LYS A 12 6.977 -7.757 -7.727 1.00 30.21 N ATOM 0 H LYS A 12 8.128 -11.612 -3.934 1.00 75.22 H new ATOM 0 HA LYS A 12 5.607 -10.611 -4.640 1.00 3.03 H new ATOM 0 HB2 LYS A 12 7.686 -12.357 -5.857 1.00 62.31 H new ATOM 0 HB3 LYS A 12 6.067 -12.558 -6.499 1.00 62.31 H new ATOM 0 HG2 LYS A 12 7.360 -10.923 -7.809 1.00 64.45 H new ATOM 0 HG3 LYS A 12 5.947 -10.185 -7.083 1.00 64.45 H new ATOM 0 HD2 LYS A 12 7.293 -9.146 -5.340 1.00 25.11 H new ATOM 0 HD3 LYS A 12 8.717 -10.040 -5.832 1.00 25.11 H new ATOM 0 HE2 LYS A 12 8.807 -7.726 -6.668 1.00 55.23 H new ATOM 0 HE3 LYS A 12 8.756 -8.867 -7.997 1.00 55.23 H new ATOM 0 HZ1 LYS A 12 7.282 -6.945 -8.301 1.00 30.21 H new ATOM 0 HZ2 LYS A 12 6.435 -8.417 -8.321 1.00 30.21 H new ATOM 0 HZ3 LYS A 12 6.378 -7.423 -6.945 1.00 30.21 H new ATOM 170 N ILE A 13 5.671 -13.751 -3.629 1.00 44.14 N ATOM 171 CA ILE A 13 4.831 -14.853 -3.168 1.00 31.13 C ATOM 172 C ILE A 13 3.909 -14.382 -2.040 1.00 54.15 C ATOM 173 O ILE A 13 2.712 -14.670 -2.042 1.00 11.24 O ATOM 174 CB ILE A 13 5.677 -16.057 -2.669 1.00 33.44 C ATOM 175 CG1 ILE A 13 6.603 -16.581 -3.778 1.00 4.41 C ATOM 176 CG2 ILE A 13 4.777 -17.182 -2.154 1.00 34.00 C ATOM 177 CD1 ILE A 13 5.875 -17.090 -5.008 1.00 1.42 C ATOM 0 H ILE A 13 6.670 -13.895 -3.486 1.00 44.14 H new ATOM 0 HA ILE A 13 4.237 -15.183 -4.020 1.00 31.13 H new ATOM 0 HB ILE A 13 6.296 -15.705 -1.844 1.00 33.44 H new ATOM 0 HG12 ILE A 13 7.282 -15.782 -4.076 1.00 4.41 H new ATOM 0 HG13 ILE A 13 7.216 -17.386 -3.373 1.00 4.41 H new ATOM 0 HG21 ILE A 13 5.393 -18.013 -1.811 1.00 34.00 H new ATOM 0 HG22 ILE A 13 4.171 -16.813 -1.326 1.00 34.00 H new ATOM 0 HG23 ILE A 13 4.124 -17.523 -2.958 1.00 34.00 H new ATOM 0 HD11 ILE A 13 6.601 -17.441 -5.741 1.00 1.42 H new ATOM 0 HD12 ILE A 13 5.217 -17.912 -4.727 1.00 1.42 H new ATOM 0 HD13 ILE A 13 5.284 -16.283 -5.441 1.00 1.42 H new ATOM 189 N ALA A 14 4.478 -13.641 -1.090 1.00 10.43 N ATOM 190 CA ALA A 14 3.729 -13.114 0.040 1.00 65.03 C ATOM 191 C ALA A 14 2.581 -12.229 -0.436 1.00 45.24 C ATOM 192 O ALA A 14 1.442 -12.391 0.001 1.00 22.51 O ATOM 193 CB ALA A 14 4.654 -12.333 0.973 1.00 21.21 C ATOM 0 H ALA A 14 5.467 -13.392 -1.086 1.00 10.43 H new ATOM 0 HA ALA A 14 3.305 -13.954 0.591 1.00 65.03 H new ATOM 0 HB1 ALA A 14 4.079 -11.945 1.814 1.00 21.21 H new ATOM 0 HB2 ALA A 14 5.439 -12.993 1.344 1.00 21.21 H new ATOM 0 HB3 ALA A 14 5.105 -11.504 0.428 1.00 21.21 H new ATOM 199 N ALA A 15 2.886 -11.308 -1.351 1.00 74.24 N ATOM 200 CA ALA A 15 1.882 -10.391 -1.895 1.00 32.11 C ATOM 201 C ALA A 15 0.848 -11.147 -2.734 1.00 51.43 C ATOM 202 O ALA A 15 -0.354 -10.913 -2.620 1.00 74.42 O ATOM 203 CB ALA A 15 2.555 -9.302 -2.727 1.00 53.00 C ATOM 0 H ALA A 15 3.823 -11.177 -1.732 1.00 74.24 H new ATOM 0 HA ALA A 15 1.361 -9.921 -1.061 1.00 32.11 H new ATOM 0 HB1 ALA A 15 1.797 -8.628 -3.125 1.00 53.00 H new ATOM 0 HB2 ALA A 15 3.247 -8.740 -2.100 1.00 53.00 H new ATOM 0 HB3 ALA A 15 3.102 -9.760 -3.551 1.00 53.00 H new ATOM 209 N TRP A 16 1.340 -12.050 -3.573 1.00 42.31 N ATOM 210 CA TRP A 16 0.498 -12.895 -4.424 1.00 14.44 C ATOM 211 C TRP A 16 -0.509 -13.683 -3.580 1.00 61.31 C ATOM 212 O TRP A 16 -1.698 -13.750 -3.907 1.00 4.24 O ATOM 213 CB TRP A 16 1.416 -13.823 -5.244 1.00 24.40 C ATOM 214 CG TRP A 16 0.790 -15.083 -5.771 1.00 52.04 C ATOM 215 CD1 TRP A 16 -0.133 -15.205 -6.771 1.00 52.03 C ATOM 216 CD2 TRP A 16 1.089 -16.415 -5.337 1.00 31.11 C ATOM 217 NE1 TRP A 16 -0.431 -16.534 -6.975 1.00 3.11 N ATOM 218 CE2 TRP A 16 0.310 -17.296 -6.104 1.00 21.40 C ATOM 219 CE3 TRP A 16 1.945 -16.942 -4.367 1.00 71.50 C ATOM 220 CZ2 TRP A 16 0.363 -18.676 -5.929 1.00 15.24 C ATOM 221 CZ3 TRP A 16 1.996 -18.312 -4.195 1.00 2.41 C ATOM 222 CH2 TRP A 16 1.209 -19.165 -4.973 1.00 12.14 C ATOM 0 H TRP A 16 2.339 -12.221 -3.686 1.00 42.31 H new ATOM 0 HA TRP A 16 -0.087 -12.280 -5.108 1.00 14.44 H new ATOM 0 HB2 TRP A 16 1.808 -13.257 -6.089 1.00 24.40 H new ATOM 0 HB3 TRP A 16 2.268 -14.098 -4.622 1.00 24.40 H new ATOM 0 HD1 TRP A 16 -0.565 -14.381 -7.320 1.00 52.03 H new ATOM 0 HE1 TRP A 16 -1.094 -16.894 -7.661 1.00 3.11 H new ATOM 0 HE3 TRP A 16 2.557 -16.290 -3.762 1.00 71.50 H new ATOM 0 HZ2 TRP A 16 -0.244 -19.338 -6.529 1.00 15.24 H new ATOM 0 HZ3 TRP A 16 2.654 -18.730 -3.448 1.00 2.41 H new ATOM 0 HH2 TRP A 16 1.270 -20.232 -4.816 1.00 12.14 H new ATOM 233 N LEU A 17 -0.024 -14.248 -2.484 1.00 61.21 N ATOM 234 CA LEU A 17 -0.864 -14.999 -1.554 1.00 62.45 C ATOM 235 C LEU A 17 -1.782 -14.072 -0.764 1.00 2.03 C ATOM 236 O LEU A 17 -2.953 -14.383 -0.551 1.00 1.20 O ATOM 237 CB LEU A 17 0.018 -15.833 -0.607 1.00 54.03 C ATOM 238 CG LEU A 17 0.061 -17.331 -0.936 1.00 44.41 C ATOM 239 CD1 LEU A 17 1.220 -18.019 -0.226 1.00 31.01 C ATOM 240 CD2 LEU A 17 -1.269 -17.985 -0.565 1.00 20.20 C ATOM 0 H LEU A 17 0.958 -14.201 -2.212 1.00 61.21 H new ATOM 0 HA LEU A 17 -1.498 -15.673 -2.131 1.00 62.45 H new ATOM 0 HB2 LEU A 17 1.034 -15.438 -0.634 1.00 54.03 H new ATOM 0 HB3 LEU A 17 -0.346 -15.708 0.413 1.00 54.03 H new ATOM 0 HG LEU A 17 0.221 -17.443 -2.008 1.00 44.41 H new ATOM 0 HD11 LEU A 17 1.224 -19.079 -0.479 1.00 31.01 H new ATOM 0 HD12 LEU A 17 2.160 -17.567 -0.542 1.00 31.01 H new ATOM 0 HD13 LEU A 17 1.106 -17.904 0.852 1.00 31.01 H new ATOM 0 HD21 LEU A 17 -1.230 -19.048 -0.802 1.00 20.20 H new ATOM 0 HD22 LEU A 17 -1.452 -17.857 0.502 1.00 20.20 H new ATOM 0 HD23 LEU A 17 -2.075 -17.517 -1.130 1.00 20.20 H new ATOM 252 N ASN A 18 -1.248 -12.934 -0.341 1.00 65.13 N ATOM 253 CA ASN A 18 -2.013 -11.966 0.442 1.00 45.11 C ATOM 254 C ASN A 18 -3.168 -11.408 -0.388 1.00 52.24 C ATOM 255 O ASN A 18 -4.233 -11.090 0.140 1.00 12.31 O ATOM 256 CB ASN A 18 -1.105 -10.817 0.914 1.00 44.01 C ATOM 257 CG ASN A 18 -1.822 -9.811 1.805 1.00 55.42 C ATOM 258 OD1 ASN A 18 -2.693 -10.285 2.685 1.00 21.33 O flip ATOM 259 ND2 ASN A 18 -1.568 -8.609 1.724 1.00 62.40 N flip ATOM 0 H ASN A 18 -0.284 -12.656 -0.527 1.00 65.13 H new ATOM 0 HA ASN A 18 -2.418 -12.475 1.317 1.00 45.11 H new ATOM 0 HB2 ASN A 18 -0.256 -11.233 1.457 1.00 44.01 H new ATOM 0 HB3 ASN A 18 -0.703 -10.299 0.043 1.00 44.01 H new ATOM 0 HD21 ASN A 18 -0.893 -8.276 1.036 1.00 62.40 H new ATOM 0 HD22 ASN A 18 -2.033 -7.947 2.345 1.00 62.40 H new ATOM 266 N ALA A 19 -2.940 -11.294 -1.693 1.00 61.24 N ATOM 267 CA ALA A 19 -3.968 -10.838 -2.623 1.00 24.21 C ATOM 268 C ALA A 19 -4.986 -11.948 -2.869 1.00 11.54 C ATOM 269 O ALA A 19 -6.176 -11.685 -3.049 1.00 11.42 O ATOM 270 CB ALA A 19 -3.342 -10.394 -3.943 1.00 61.32 C ATOM 0 H ALA A 19 -2.046 -11.513 -2.133 1.00 61.24 H new ATOM 0 HA ALA A 19 -4.479 -9.983 -2.180 1.00 24.21 H new ATOM 0 HB1 ALA A 19 -4.125 -10.058 -4.622 1.00 61.32 H new ATOM 0 HB2 ALA A 19 -2.646 -9.576 -3.759 1.00 61.32 H new ATOM 0 HB3 ALA A 19 -2.807 -11.231 -4.392 1.00 61.32 H new ATOM 276 N GLY A 20 -4.502 -13.185 -2.893 1.00 74.52 N ATOM 277 CA GLY A 20 -5.378 -14.331 -3.055 1.00 23.12 C ATOM 278 C GLY A 20 -6.206 -14.595 -1.812 1.00 55.43 C ATOM 279 O GLY A 20 -7.318 -15.124 -1.892 1.00 43.31 O ATOM 0 H GLY A 20 -3.512 -13.415 -2.803 1.00 74.52 H new ATOM 0 HA2 GLY A 20 -6.041 -14.163 -3.903 1.00 23.12 H new ATOM 0 HA3 GLY A 20 -4.781 -15.213 -3.287 1.00 23.12 H new ATOM 283 N TYR A 21 -5.656 -14.223 -0.660 1.00 62.21 N ATOM 284 CA TYR A 21 -6.330 -14.397 0.621 1.00 10.20 C ATOM 285 C TYR A 21 -6.148 -13.167 1.508 1.00 4.45 C ATOM 286 O TYR A 21 -5.342 -13.182 2.444 1.00 64.21 O ATOM 287 CB TYR A 21 -5.801 -15.637 1.351 1.00 61.50 C ATOM 288 CG TYR A 21 -6.190 -16.951 0.710 1.00 73.21 C ATOM 289 CD1 TYR A 21 -7.463 -17.475 0.886 1.00 11.11 C ATOM 290 CD2 TYR A 21 -5.285 -17.677 -0.057 1.00 62.43 C ATOM 291 CE1 TYR A 21 -7.821 -18.681 0.324 1.00 44.33 C ATOM 292 CE2 TYR A 21 -5.639 -18.883 -0.623 1.00 2.43 C ATOM 293 CZ TYR A 21 -6.909 -19.379 -0.435 1.00 65.41 C ATOM 294 OH TYR A 21 -7.275 -20.574 -1.009 1.00 73.14 O ATOM 0 H TYR A 21 -4.733 -13.794 -0.589 1.00 62.21 H new ATOM 0 HA TYR A 21 -7.392 -14.530 0.417 1.00 10.20 H new ATOM 0 HB2 TYR A 21 -4.714 -15.578 1.401 1.00 61.50 H new ATOM 0 HB3 TYR A 21 -6.168 -15.624 2.377 1.00 61.50 H new ATOM 0 HD1 TYR A 21 -8.185 -16.928 1.474 1.00 11.11 H new ATOM 0 HD2 TYR A 21 -4.289 -17.290 -0.212 1.00 62.43 H new ATOM 0 HE1 TYR A 21 -8.814 -19.077 0.478 1.00 44.33 H new ATOM 0 HE2 TYR A 21 -4.923 -19.437 -1.212 1.00 2.43 H new ATOM 0 HH TYR A 21 -7.496 -20.429 -1.953 1.00 73.14 H new ATOM 304 N PRO A 22 -6.893 -12.082 1.231 1.00 33.03 N ATOM 305 CA PRO A 22 -6.881 -10.889 2.085 1.00 62.52 C ATOM 306 C PRO A 22 -7.632 -11.150 3.391 1.00 1.51 C ATOM 307 O PRO A 22 -7.662 -10.312 4.293 1.00 55.41 O ATOM 308 CB PRO A 22 -7.602 -9.838 1.230 1.00 44.14 C ATOM 309 CG PRO A 22 -8.515 -10.632 0.355 1.00 13.52 C ATOM 310 CD PRO A 22 -7.793 -11.925 0.070 1.00 34.34 C ATOM 0 HA PRO A 22 -5.878 -10.580 2.380 1.00 62.52 H new ATOM 0 HB2 PRO A 22 -8.158 -9.135 1.850 1.00 44.14 H new ATOM 0 HB3 PRO A 22 -6.896 -9.253 0.640 1.00 44.14 H new ATOM 0 HG2 PRO A 22 -9.468 -10.818 0.851 1.00 13.52 H new ATOM 0 HG3 PRO A 22 -8.735 -10.096 -0.568 1.00 13.52 H new ATOM 0 HD2 PRO A 22 -8.487 -12.761 -0.016 1.00 34.34 H new ATOM 0 HD3 PRO A 22 -7.236 -11.876 -0.866 1.00 34.34 H new ATOM 318 N GLU A 23 -8.238 -12.331 3.464 1.00 61.20 N ATOM 319 CA GLU A 23 -9.019 -12.760 4.618 1.00 14.11 C ATOM 320 C GLU A 23 -8.342 -13.946 5.314 1.00 1.14 C ATOM 321 O GLU A 23 -8.910 -14.545 6.229 1.00 3.25 O ATOM 322 CB GLU A 23 -10.425 -13.168 4.154 1.00 54.54 C ATOM 323 CG GLU A 23 -10.420 -14.325 3.154 1.00 45.01 C ATOM 324 CD GLU A 23 -11.801 -14.643 2.603 1.00 53.32 C ATOM 325 OE1 GLU A 23 -12.559 -15.383 3.266 1.00 44.43 O ATOM 326 OE2 GLU A 23 -12.134 -14.153 1.501 1.00 54.44 O ATOM 0 H GLU A 23 -8.200 -13.024 2.716 1.00 61.20 H new ATOM 0 HA GLU A 23 -9.088 -11.934 5.326 1.00 14.11 H new ATOM 0 HB2 GLU A 23 -11.019 -13.451 5.023 1.00 54.54 H new ATOM 0 HB3 GLU A 23 -10.914 -12.306 3.700 1.00 54.54 H new ATOM 0 HG2 GLU A 23 -9.753 -14.080 2.327 1.00 45.01 H new ATOM 0 HG3 GLU A 23 -10.015 -15.214 3.638 1.00 45.01 H new ATOM 333 N GLY A 24 -7.123 -14.273 4.883 1.00 55.34 N ATOM 334 CA GLY A 24 -6.469 -15.478 5.356 1.00 5.42 C ATOM 335 C GLY A 24 -6.976 -16.704 4.620 1.00 72.15 C ATOM 336 O GLY A 24 -8.030 -16.658 3.984 1.00 1.40 O ATOM 0 H GLY A 24 -6.580 -13.724 4.216 1.00 55.34 H new ATOM 0 HA2 GLY A 24 -5.392 -15.388 5.218 1.00 5.42 H new ATOM 0 HA3 GLY A 24 -6.645 -15.594 6.425 1.00 5.42 H new ATOM 340 N VAL A 25 -6.230 -17.796 4.691 1.00 31.52 N ATOM 341 CA VAL A 25 -6.613 -19.024 4.006 1.00 42.05 C ATOM 342 C VAL A 25 -7.390 -19.928 4.965 1.00 51.00 C ATOM 343 O VAL A 25 -6.919 -20.191 6.073 1.00 41.02 O ATOM 344 CB VAL A 25 -5.369 -19.795 3.478 1.00 71.20 C ATOM 345 CG1 VAL A 25 -5.762 -20.833 2.431 1.00 42.22 C ATOM 346 CG2 VAL A 25 -4.304 -18.836 2.947 1.00 50.32 C ATOM 0 H VAL A 25 -5.357 -17.858 5.215 1.00 31.52 H new ATOM 0 HA VAL A 25 -7.236 -18.750 3.155 1.00 42.05 H new ATOM 0 HB VAL A 25 -4.932 -20.332 4.320 1.00 71.20 H new ATOM 0 HG11 VAL A 25 -4.870 -21.354 2.083 1.00 42.22 H new ATOM 0 HG12 VAL A 25 -6.453 -21.551 2.872 1.00 42.22 H new ATOM 0 HG13 VAL A 25 -6.244 -20.336 1.589 1.00 42.22 H new ATOM 0 HG21 VAL A 25 -3.448 -19.406 2.586 1.00 50.32 H new ATOM 0 HG22 VAL A 25 -4.719 -18.248 2.129 1.00 50.32 H new ATOM 0 HG23 VAL A 25 -3.984 -18.169 3.747 1.00 50.32 H new ATOM 356 N PRO A 26 -8.595 -20.399 4.576 1.00 73.25 N ATOM 357 CA PRO A 26 -9.345 -21.375 5.376 1.00 54.21 C ATOM 358 C PRO A 26 -8.696 -22.757 5.296 1.00 64.34 C ATOM 359 O PRO A 26 -8.058 -23.081 4.298 1.00 2.12 O ATOM 360 CB PRO A 26 -10.737 -21.377 4.729 1.00 23.03 C ATOM 361 CG PRO A 26 -10.487 -20.979 3.313 1.00 64.34 C ATOM 362 CD PRO A 26 -9.323 -20.017 3.347 1.00 63.21 C ATOM 0 HA PRO A 26 -9.375 -21.125 6.436 1.00 54.21 H new ATOM 0 HB2 PRO A 26 -11.202 -22.361 4.789 1.00 23.03 H new ATOM 0 HB3 PRO A 26 -11.408 -20.676 5.226 1.00 23.03 H new ATOM 0 HG2 PRO A 26 -10.255 -21.849 2.699 1.00 64.34 H new ATOM 0 HG3 PRO A 26 -11.369 -20.508 2.879 1.00 64.34 H new ATOM 0 HD2 PRO A 26 -8.695 -20.115 2.462 1.00 63.21 H new ATOM 0 HD3 PRO A 26 -9.660 -18.981 3.386 1.00 63.21 H new ATOM 370 N GLY A 27 -8.871 -23.557 6.345 1.00 3.45 N ATOM 371 CA GLY A 27 -8.204 -24.854 6.454 1.00 3.53 C ATOM 372 C GLY A 27 -8.261 -25.713 5.191 1.00 40.15 C ATOM 373 O GLY A 27 -7.202 -26.142 4.680 1.00 54.14 O ATOM 0 H GLY A 27 -9.473 -23.329 7.136 1.00 3.45 H new ATOM 0 HA2 GLY A 27 -7.159 -24.688 6.717 1.00 3.53 H new ATOM 0 HA3 GLY A 27 -8.655 -25.411 7.276 1.00 3.53 H new ATOM 377 N PRO A 28 -9.481 -25.978 4.659 1.00 4.10 N ATOM 378 CA PRO A 28 -9.672 -26.814 3.461 1.00 31.40 C ATOM 379 C PRO A 28 -8.878 -26.298 2.266 1.00 1.42 C ATOM 380 O PRO A 28 -8.650 -27.030 1.299 1.00 5.10 O ATOM 381 CB PRO A 28 -11.182 -26.725 3.191 1.00 12.20 C ATOM 382 CG PRO A 28 -11.778 -26.381 4.512 1.00 51.25 C ATOM 383 CD PRO A 28 -10.772 -25.493 5.189 1.00 54.20 C ATOM 0 HA PRO A 28 -9.320 -27.834 3.616 1.00 31.40 H new ATOM 0 HB2 PRO A 28 -11.407 -25.964 2.444 1.00 12.20 H new ATOM 0 HB3 PRO A 28 -11.574 -27.669 2.813 1.00 12.20 H new ATOM 0 HG2 PRO A 28 -12.733 -25.870 4.390 1.00 51.25 H new ATOM 0 HG3 PRO A 28 -11.969 -27.278 5.101 1.00 51.25 H new ATOM 0 HD2 PRO A 28 -10.936 -24.443 4.949 1.00 54.20 H new ATOM 0 HD3 PRO A 28 -10.821 -25.583 6.274 1.00 54.20 H new ATOM 391 N ASP A 29 -8.474 -25.034 2.338 1.00 63.12 N ATOM 392 CA ASP A 29 -7.627 -24.429 1.319 1.00 75.13 C ATOM 393 C ASP A 29 -6.179 -24.371 1.794 1.00 41.35 C ATOM 394 O ASP A 29 -5.261 -24.406 0.982 1.00 20.04 O ATOM 395 CB ASP A 29 -8.119 -23.022 0.948 1.00 13.15 C ATOM 396 CG ASP A 29 -9.343 -23.046 0.043 1.00 11.41 C ATOM 397 OD1 ASP A 29 -9.178 -23.223 -1.186 1.00 42.44 O ATOM 398 OD2 ASP A 29 -10.475 -22.883 0.549 1.00 33.11 O ATOM 0 H ASP A 29 -8.723 -24.404 3.100 1.00 63.12 H new ATOM 0 HA ASP A 29 -7.682 -25.053 0.427 1.00 75.13 H new ATOM 0 HB2 ASP A 29 -8.357 -22.473 1.859 1.00 13.15 H new ATOM 0 HB3 ASP A 29 -7.315 -22.480 0.450 1.00 13.15 H new ATOM 403 N ARG A 30 -5.973 -24.311 3.115 1.00 54.40 N ATOM 404 CA ARG A 30 -4.624 -24.227 3.681 1.00 24.35 C ATOM 405 C ARG A 30 -3.832 -25.479 3.354 1.00 11.25 C ATOM 406 O ARG A 30 -2.719 -25.402 2.824 1.00 45.02 O ATOM 407 CB ARG A 30 -4.653 -24.044 5.209 1.00 44.21 C ATOM 408 CG ARG A 30 -5.264 -22.734 5.682 1.00 23.22 C ATOM 409 CD ARG A 30 -4.994 -22.473 7.164 1.00 3.15 C ATOM 410 NE ARG A 30 -5.408 -23.580 8.034 1.00 71.13 N ATOM 411 CZ ARG A 30 -5.139 -23.641 9.343 1.00 23.15 C ATOM 412 NH1 ARG A 30 -4.442 -22.675 9.931 1.00 65.41 N ATOM 413 NH2 ARG A 30 -5.560 -24.669 10.061 1.00 74.54 N ATOM 0 H ARG A 30 -6.721 -24.319 3.809 1.00 54.40 H new ATOM 0 HA ARG A 30 -4.147 -23.355 3.234 1.00 24.35 H new ATOM 0 HB2 ARG A 30 -5.212 -24.870 5.649 1.00 44.21 H new ATOM 0 HB3 ARG A 30 -3.633 -24.111 5.589 1.00 44.21 H new ATOM 0 HG2 ARG A 30 -4.860 -21.912 5.091 1.00 23.22 H new ATOM 0 HG3 ARG A 30 -6.340 -22.753 5.508 1.00 23.22 H new ATOM 0 HD2 ARG A 30 -3.929 -22.288 7.305 1.00 3.15 H new ATOM 0 HD3 ARG A 30 -5.518 -21.566 7.467 1.00 3.15 H new ATOM 0 HE ARG A 30 -5.932 -24.349 7.616 1.00 71.13 H new ATOM 0 HH11 ARG A 30 -4.109 -21.881 9.384 1.00 65.41 H new ATOM 0 HH12 ARG A 30 -4.240 -22.727 10.929 1.00 65.41 H new ATOM 0 HH21 ARG A 30 -6.091 -25.418 9.617 1.00 74.54 H new ATOM 0 HH22 ARG A 30 -5.353 -24.713 11.059 1.00 74.54 H new ATOM 427 N VAL A 31 -4.416 -26.636 3.664 1.00 12.44 N ATOM 428 CA VAL A 31 -3.709 -27.908 3.487 1.00 14.30 C ATOM 429 C VAL A 31 -3.216 -28.064 2.031 1.00 1.22 C ATOM 430 O VAL A 31 -2.023 -28.294 1.798 1.00 3.34 O ATOM 431 CB VAL A 31 -4.579 -29.129 3.904 1.00 3.35 C ATOM 432 CG1 VAL A 31 -3.756 -30.414 3.919 1.00 35.31 C ATOM 433 CG2 VAL A 31 -5.222 -28.898 5.267 1.00 61.25 C ATOM 0 H VAL A 31 -5.363 -26.721 4.034 1.00 12.44 H new ATOM 0 HA VAL A 31 -2.844 -27.887 4.150 1.00 14.30 H new ATOM 0 HB VAL A 31 -5.369 -29.239 3.161 1.00 3.35 H new ATOM 0 HG11 VAL A 31 -4.391 -31.249 4.214 1.00 35.31 H new ATOM 0 HG12 VAL A 31 -3.352 -30.599 2.924 1.00 35.31 H new ATOM 0 HG13 VAL A 31 -2.936 -30.313 4.630 1.00 35.31 H new ATOM 0 HG21 VAL A 31 -5.825 -29.765 5.537 1.00 61.25 H new ATOM 0 HG22 VAL A 31 -4.444 -28.750 6.016 1.00 61.25 H new ATOM 0 HG23 VAL A 31 -5.857 -28.013 5.224 1.00 61.25 H new ATOM 443 N PRO A 32 -4.112 -27.922 1.021 1.00 64.13 N ATOM 444 CA PRO A 32 -3.721 -28.003 -0.393 1.00 15.21 C ATOM 445 C PRO A 32 -2.850 -26.822 -0.832 1.00 21.04 C ATOM 446 O PRO A 32 -2.029 -26.963 -1.739 1.00 13.40 O ATOM 447 CB PRO A 32 -5.061 -27.993 -1.140 1.00 64.15 C ATOM 448 CG PRO A 32 -5.986 -27.287 -0.220 1.00 73.12 C ATOM 449 CD PRO A 32 -5.566 -27.695 1.165 1.00 53.53 C ATOM 0 HA PRO A 32 -3.115 -28.887 -0.593 1.00 15.21 H new ATOM 0 HB2 PRO A 32 -4.980 -27.477 -2.096 1.00 64.15 H new ATOM 0 HB3 PRO A 32 -5.406 -29.005 -1.352 1.00 64.15 H new ATOM 0 HG2 PRO A 32 -5.918 -26.207 -0.348 1.00 73.12 H new ATOM 0 HG3 PRO A 32 -7.022 -27.566 -0.414 1.00 73.12 H new ATOM 0 HD2 PRO A 32 -5.782 -26.917 1.897 1.00 53.53 H new ATOM 0 HD3 PRO A 32 -6.084 -28.596 1.494 1.00 53.53 H new ATOM 457 N LEU A 33 -3.036 -25.661 -0.195 1.00 51.45 N ATOM 458 CA LEU A 33 -2.230 -24.476 -0.508 1.00 71.25 C ATOM 459 C LEU A 33 -0.761 -24.792 -0.278 1.00 22.31 C ATOM 460 O LEU A 33 0.080 -24.562 -1.149 1.00 14.43 O ATOM 461 CB LEU A 33 -2.677 -23.275 0.362 1.00 44.31 C ATOM 462 CG LEU A 33 -2.060 -21.895 0.034 1.00 71.04 C ATOM 463 CD1 LEU A 33 -0.643 -21.755 0.591 1.00 72.23 C ATOM 464 CD2 LEU A 33 -2.077 -21.636 -1.472 1.00 5.41 C ATOM 0 H LEU A 33 -3.733 -25.517 0.536 1.00 51.45 H new ATOM 0 HA LEU A 33 -2.375 -24.205 -1.554 1.00 71.25 H new ATOM 0 HB2 LEU A 33 -3.761 -23.187 0.285 1.00 44.31 H new ATOM 0 HB3 LEU A 33 -2.449 -23.508 1.402 1.00 44.31 H new ATOM 0 HG LEU A 33 -2.677 -21.141 0.523 1.00 71.04 H new ATOM 0 HD11 LEU A 33 -0.248 -20.771 0.338 1.00 72.23 H new ATOM 0 HD12 LEU A 33 -0.665 -21.869 1.675 1.00 72.23 H new ATOM 0 HD13 LEU A 33 -0.004 -22.525 0.158 1.00 72.23 H new ATOM 0 HD21 LEU A 33 -1.638 -20.660 -1.678 1.00 5.41 H new ATOM 0 HD22 LEU A 33 -1.500 -22.408 -1.981 1.00 5.41 H new ATOM 0 HD23 LEU A 33 -3.105 -21.655 -1.833 1.00 5.41 H new ATOM 476 N LEU A 34 -0.462 -25.355 0.884 1.00 52.24 N ATOM 477 CA LEU A 34 0.900 -25.757 1.198 1.00 54.12 C ATOM 478 C LEU A 34 1.319 -26.936 0.347 1.00 50.24 C ATOM 479 O LEU A 34 2.456 -26.987 -0.131 1.00 13.00 O ATOM 480 CB LEU A 34 1.047 -26.108 2.681 1.00 2.21 C ATOM 481 CG LEU A 34 1.448 -24.935 3.586 1.00 0.45 C ATOM 482 CD1 LEU A 34 2.798 -24.371 3.153 1.00 63.44 C ATOM 483 CD2 LEU A 34 0.377 -23.847 3.576 1.00 74.02 C ATOM 0 H LEU A 34 -1.141 -25.543 1.621 1.00 52.24 H new ATOM 0 HA LEU A 34 1.551 -24.911 0.978 1.00 54.12 H new ATOM 0 HB2 LEU A 34 0.102 -26.517 3.038 1.00 2.21 H new ATOM 0 HB3 LEU A 34 1.793 -26.896 2.781 1.00 2.21 H new ATOM 0 HG LEU A 34 1.539 -25.304 4.608 1.00 0.45 H new ATOM 0 HD11 LEU A 34 3.070 -23.540 3.803 1.00 63.44 H new ATOM 0 HD12 LEU A 34 3.557 -25.150 3.223 1.00 63.44 H new ATOM 0 HD13 LEU A 34 2.732 -24.020 2.123 1.00 63.44 H new ATOM 0 HD21 LEU A 34 0.685 -23.027 4.225 1.00 74.02 H new ATOM 0 HD22 LEU A 34 0.245 -23.476 2.560 1.00 74.02 H new ATOM 0 HD23 LEU A 34 -0.565 -24.260 3.936 1.00 74.02 H new ATOM 495 N ALA A 35 0.410 -27.891 0.169 1.00 22.33 N ATOM 496 CA ALA A 35 0.688 -29.054 -0.661 1.00 2.14 C ATOM 497 C ALA A 35 1.186 -28.619 -2.039 1.00 71.13 C ATOM 498 O ALA A 35 2.112 -29.205 -2.591 1.00 71.44 O ATOM 499 CB ALA A 35 -0.551 -29.932 -0.791 1.00 72.12 C ATOM 0 H ALA A 35 -0.520 -27.881 0.587 1.00 22.33 H new ATOM 0 HA ALA A 35 1.471 -29.640 -0.180 1.00 2.14 H new ATOM 0 HB1 ALA A 35 -0.321 -30.795 -1.415 1.00 72.12 H new ATOM 0 HB2 ALA A 35 -0.862 -30.271 0.197 1.00 72.12 H new ATOM 0 HB3 ALA A 35 -1.357 -29.358 -1.248 1.00 72.12 H new ATOM 505 N LEU A 36 0.556 -27.576 -2.571 1.00 60.32 N ATOM 506 CA LEU A 36 0.910 -27.010 -3.868 1.00 5.22 C ATOM 507 C LEU A 36 2.257 -26.274 -3.795 1.00 32.42 C ATOM 508 O LEU A 36 3.166 -26.527 -4.591 1.00 24.53 O ATOM 509 CB LEU A 36 -0.226 -26.070 -4.337 1.00 43.41 C ATOM 510 CG LEU A 36 -0.131 -25.513 -5.775 1.00 11.12 C ATOM 511 CD1 LEU A 36 0.858 -24.354 -5.865 1.00 3.22 C ATOM 512 CD2 LEU A 36 0.240 -26.622 -6.762 1.00 70.30 C ATOM 0 H LEU A 36 -0.219 -27.097 -2.112 1.00 60.32 H new ATOM 0 HA LEU A 36 1.025 -27.813 -4.596 1.00 5.22 H new ATOM 0 HB2 LEU A 36 -1.170 -26.608 -4.244 1.00 43.41 H new ATOM 0 HB3 LEU A 36 -0.271 -25.225 -3.650 1.00 43.41 H new ATOM 0 HG LEU A 36 -1.114 -25.127 -6.044 1.00 11.12 H new ATOM 0 HD11 LEU A 36 0.898 -23.989 -6.891 1.00 3.22 H new ATOM 0 HD12 LEU A 36 0.536 -23.549 -5.205 1.00 3.22 H new ATOM 0 HD13 LEU A 36 1.848 -24.696 -5.563 1.00 3.22 H new ATOM 0 HD21 LEU A 36 0.301 -26.208 -7.768 1.00 70.30 H new ATOM 0 HD22 LEU A 36 1.205 -27.048 -6.485 1.00 70.30 H new ATOM 0 HD23 LEU A 36 -0.521 -27.402 -6.736 1.00 70.30 H new ATOM 524 N LEU A 37 2.377 -25.362 -2.830 1.00 22.00 N ATOM 525 CA LEU A 37 3.574 -24.523 -2.686 1.00 0.21 C ATOM 526 C LEU A 37 4.845 -25.354 -2.501 1.00 50.35 C ATOM 527 O LEU A 37 5.819 -25.181 -3.238 1.00 73.01 O ATOM 528 CB LEU A 37 3.411 -23.544 -1.507 1.00 72.43 C ATOM 529 CG LEU A 37 2.877 -22.150 -1.870 1.00 43.44 C ATOM 530 CD1 LEU A 37 1.517 -22.235 -2.557 1.00 4.05 C ATOM 531 CD2 LEU A 37 2.804 -21.268 -0.628 1.00 24.13 C ATOM 0 H LEU A 37 1.657 -25.182 -2.131 1.00 22.00 H new ATOM 0 HA LEU A 37 3.680 -23.959 -3.613 1.00 0.21 H new ATOM 0 HB2 LEU A 37 2.738 -23.992 -0.776 1.00 72.43 H new ATOM 0 HB3 LEU A 37 4.379 -23.427 -1.019 1.00 72.43 H new ATOM 0 HG LEU A 37 3.573 -21.697 -2.576 1.00 43.44 H new ATOM 0 HD11 LEU A 37 1.169 -21.231 -2.800 1.00 4.05 H new ATOM 0 HD12 LEU A 37 1.608 -22.819 -3.473 1.00 4.05 H new ATOM 0 HD13 LEU A 37 0.802 -22.716 -1.890 1.00 4.05 H new ATOM 0 HD21 LEU A 37 2.424 -20.284 -0.902 1.00 24.13 H new ATOM 0 HD22 LEU A 37 2.137 -21.724 0.103 1.00 24.13 H new ATOM 0 HD23 LEU A 37 3.799 -21.165 -0.196 1.00 24.13 H new ATOM 543 N THR A 38 4.822 -26.268 -1.535 1.00 10.21 N ATOM 544 CA THR A 38 6.020 -27.007 -1.137 1.00 5.04 C ATOM 545 C THR A 38 6.572 -27.870 -2.268 1.00 62.54 C ATOM 546 O THR A 38 7.680 -28.399 -2.174 1.00 50.11 O ATOM 547 CB THR A 38 5.747 -27.891 0.103 1.00 61.23 C ATOM 548 OG1 THR A 38 4.637 -28.767 -0.157 1.00 1.52 O ATOM 549 CG2 THR A 38 5.448 -27.037 1.334 1.00 31.33 C ATOM 0 H THR A 38 3.983 -26.517 -1.010 1.00 10.21 H new ATOM 0 HA THR A 38 6.771 -26.258 -0.886 1.00 5.04 H new ATOM 0 HB THR A 38 6.642 -28.480 0.303 1.00 61.23 H new ATOM 0 HG1 THR A 38 3.803 -28.253 -0.138 1.00 1.52 H new ATOM 0 HG21 THR A 38 5.260 -27.685 2.190 1.00 31.33 H new ATOM 0 HG22 THR A 38 6.302 -26.394 1.547 1.00 31.33 H new ATOM 0 HG23 THR A 38 4.568 -26.422 1.145 1.00 31.33 H new ATOM 557 N ARG A 39 5.799 -28.008 -3.333 1.00 14.25 N ATOM 558 CA ARG A 39 6.240 -28.738 -4.512 1.00 24.04 C ATOM 559 C ARG A 39 7.378 -27.993 -5.204 1.00 71.34 C ATOM 560 O ARG A 39 8.341 -28.600 -5.674 1.00 72.22 O ATOM 561 CB ARG A 39 5.075 -28.895 -5.489 1.00 54.52 C ATOM 562 CG ARG A 39 3.885 -29.660 -4.926 1.00 31.23 C ATOM 563 CD ARG A 39 4.250 -31.084 -4.519 1.00 22.04 C ATOM 564 NE ARG A 39 4.576 -31.923 -5.674 1.00 23.20 N ATOM 565 CZ ARG A 39 4.639 -33.253 -5.632 1.00 2.41 C ATOM 566 NH1 ARG A 39 4.448 -33.892 -4.483 1.00 33.22 N ATOM 567 NH2 ARG A 39 4.895 -33.938 -6.741 1.00 12.20 N ATOM 0 H ARG A 39 4.858 -27.622 -3.406 1.00 14.25 H new ATOM 0 HA ARG A 39 6.594 -29.720 -4.199 1.00 24.04 H new ATOM 0 HB2 ARG A 39 4.741 -27.905 -5.801 1.00 54.52 H new ATOM 0 HB3 ARG A 39 5.432 -29.407 -6.383 1.00 54.52 H new ATOM 0 HG2 ARG A 39 3.490 -29.127 -4.061 1.00 31.23 H new ATOM 0 HG3 ARG A 39 3.090 -29.690 -5.671 1.00 31.23 H new ATOM 0 HD2 ARG A 39 5.101 -31.059 -3.839 1.00 22.04 H new ATOM 0 HD3 ARG A 39 3.418 -31.528 -3.972 1.00 22.04 H new ATOM 0 HE ARG A 39 4.766 -31.462 -6.564 1.00 23.20 H new ATOM 0 HH11 ARG A 39 4.253 -33.364 -3.632 1.00 33.22 H new ATOM 0 HH12 ARG A 39 4.496 -34.910 -4.452 1.00 33.22 H new ATOM 0 HH21 ARG A 39 5.043 -33.446 -7.622 1.00 12.20 H new ATOM 0 HH22 ARG A 39 4.944 -34.956 -6.712 1.00 12.20 H new ATOM 581 N ARG A 40 7.254 -26.668 -5.259 1.00 53.35 N ATOM 582 CA ARG A 40 8.151 -25.841 -6.058 1.00 42.31 C ATOM 583 C ARG A 40 8.933 -24.851 -5.190 1.00 74.53 C ATOM 584 O ARG A 40 9.842 -24.184 -5.675 1.00 12.24 O ATOM 585 CB ARG A 40 7.315 -25.119 -7.119 1.00 64.35 C ATOM 586 CG ARG A 40 6.484 -26.090 -7.959 1.00 51.10 C ATOM 587 CD ARG A 40 5.451 -25.388 -8.831 1.00 53.50 C ATOM 588 NE ARG A 40 6.056 -24.696 -9.970 1.00 44.33 N ATOM 589 CZ ARG A 40 5.570 -24.742 -11.211 1.00 71.12 C ATOM 590 NH1 ARG A 40 4.513 -25.496 -11.487 1.00 73.41 N ATOM 591 NH2 ARG A 40 6.157 -24.053 -12.181 1.00 72.30 N ATOM 0 H ARG A 40 6.537 -26.144 -4.757 1.00 53.35 H new ATOM 0 HA ARG A 40 8.896 -26.472 -6.542 1.00 42.31 H new ATOM 0 HB2 ARG A 40 6.652 -24.404 -6.632 1.00 64.35 H new ATOM 0 HB3 ARG A 40 7.975 -24.549 -7.773 1.00 64.35 H new ATOM 0 HG2 ARG A 40 7.150 -26.675 -8.593 1.00 51.10 H new ATOM 0 HG3 ARG A 40 5.976 -26.792 -7.297 1.00 51.10 H new ATOM 0 HD2 ARG A 40 4.730 -26.120 -9.196 1.00 53.50 H new ATOM 0 HD3 ARG A 40 4.897 -24.670 -8.226 1.00 53.50 H new ATOM 0 HE ARG A 40 6.899 -24.146 -9.805 1.00 44.33 H new ATOM 0 HH11 ARG A 40 4.070 -26.043 -10.749 1.00 73.41 H new ATOM 0 HH12 ARG A 40 4.144 -25.529 -12.437 1.00 73.41 H new ATOM 0 HH21 ARG A 40 6.981 -23.487 -11.978 1.00 72.30 H new ATOM 0 HH22 ARG A 40 5.784 -24.089 -13.130 1.00 72.30 H new ATOM 605 N LEU A 41 8.564 -24.759 -3.912 1.00 34.24 N ATOM 606 CA LEU A 41 9.303 -23.942 -2.941 1.00 61.12 C ATOM 607 C LEU A 41 9.932 -24.835 -1.873 1.00 73.41 C ATOM 608 O LEU A 41 9.333 -25.830 -1.452 1.00 54.35 O ATOM 609 CB LEU A 41 8.403 -22.894 -2.260 1.00 3.20 C ATOM 610 CG LEU A 41 7.952 -21.712 -3.135 1.00 25.42 C ATOM 611 CD1 LEU A 41 6.866 -22.140 -4.109 1.00 35.11 C ATOM 612 CD2 LEU A 41 7.486 -20.545 -2.264 1.00 65.23 C ATOM 0 H LEU A 41 7.755 -25.241 -3.521 1.00 34.24 H new ATOM 0 HA LEU A 41 10.080 -23.413 -3.493 1.00 61.12 H new ATOM 0 HB2 LEU A 41 7.514 -23.400 -1.883 1.00 3.20 H new ATOM 0 HB3 LEU A 41 8.934 -22.497 -1.395 1.00 3.20 H new ATOM 0 HG LEU A 41 8.807 -21.374 -3.721 1.00 25.42 H new ATOM 0 HD11 LEU A 41 6.565 -21.286 -4.716 1.00 35.11 H new ATOM 0 HD12 LEU A 41 7.249 -22.929 -4.757 1.00 35.11 H new ATOM 0 HD13 LEU A 41 6.005 -22.512 -3.554 1.00 35.11 H new ATOM 0 HD21 LEU A 41 7.171 -19.719 -2.901 1.00 65.23 H new ATOM 0 HD22 LEU A 41 6.648 -20.865 -1.644 1.00 65.23 H new ATOM 0 HD23 LEU A 41 8.306 -20.218 -1.625 1.00 65.23 H new ATOM 624 N THR A 42 11.130 -24.470 -1.437 1.00 74.31 N ATOM 625 CA THR A 42 11.848 -25.211 -0.406 1.00 41.11 C ATOM 626 C THR A 42 11.269 -24.934 0.981 1.00 41.00 C ATOM 627 O THR A 42 10.384 -24.086 1.142 1.00 32.31 O ATOM 628 CB THR A 42 13.347 -24.838 -0.407 1.00 51.30 C ATOM 629 OG1 THR A 42 13.490 -23.429 -0.179 1.00 51.23 O ATOM 630 CG2 THR A 42 14.007 -25.212 -1.730 1.00 74.30 C ATOM 0 H THR A 42 11.632 -23.654 -1.787 1.00 74.31 H new ATOM 0 HA THR A 42 11.735 -26.271 -0.634 1.00 41.11 H new ATOM 0 HB THR A 42 13.840 -25.396 0.390 1.00 51.30 H new ATOM 0 HG1 THR A 42 14.441 -23.193 -0.178 1.00 51.23 H new ATOM 0 HG21 THR A 42 15.061 -24.937 -1.701 1.00 74.30 H new ATOM 0 HG22 THR A 42 13.916 -26.286 -1.891 1.00 74.30 H new ATOM 0 HG23 THR A 42 13.516 -24.680 -2.545 1.00 74.30 H new ATOM 638 N ASN A 43 11.783 -25.641 1.987 1.00 61.44 N ATOM 639 CA ASN A 43 11.373 -25.419 3.372 1.00 23.11 C ATOM 640 C ASN A 43 11.822 -24.035 3.827 1.00 72.30 C ATOM 641 O ASN A 43 11.094 -23.321 4.530 1.00 71.12 O ATOM 642 CB ASN A 43 11.957 -26.496 4.303 1.00 34.35 C ATOM 643 CG ASN A 43 11.551 -27.915 3.921 1.00 3.52 C ATOM 644 OD1 ASN A 43 10.389 -28.069 3.301 1.00 54.24 O flip ATOM 645 ND2 ASN A 43 12.280 -28.873 4.191 1.00 61.42 N flip ATOM 0 H ASN A 43 12.484 -26.372 1.868 1.00 61.44 H new ATOM 0 HA ASN A 43 10.286 -25.483 3.422 1.00 23.11 H new ATOM 0 HB2 ASN A 43 13.044 -26.423 4.293 1.00 34.35 H new ATOM 0 HB3 ASN A 43 11.633 -26.296 5.324 1.00 34.35 H new ATOM 0 HD21 ASN A 43 13.168 -28.719 4.669 1.00 61.42 H new ATOM 0 HD22 ASN A 43 11.995 -29.819 3.936 1.00 61.42 H new ATOM 652 N ASP A 44 13.021 -23.658 3.404 1.00 0.21 N ATOM 653 CA ASP A 44 13.578 -22.348 3.717 1.00 22.12 C ATOM 654 C ASP A 44 12.704 -21.246 3.120 1.00 42.40 C ATOM 655 O ASP A 44 12.451 -20.226 3.764 1.00 60.34 O ATOM 656 CB ASP A 44 15.012 -22.236 3.179 1.00 1.30 C ATOM 657 CG ASP A 44 15.944 -23.287 3.768 1.00 22.22 C ATOM 658 OD1 ASP A 44 15.859 -24.464 3.352 1.00 41.24 O ATOM 659 OD2 ASP A 44 16.755 -22.946 4.658 1.00 4.40 O ATOM 0 H ASP A 44 13.632 -24.247 2.838 1.00 0.21 H new ATOM 0 HA ASP A 44 13.601 -22.229 4.800 1.00 22.12 H new ATOM 0 HB2 ASP A 44 14.997 -22.336 2.094 1.00 1.30 H new ATOM 0 HB3 ASP A 44 15.403 -21.243 3.402 1.00 1.30 H new ATOM 664 N GLU A 45 12.236 -21.469 1.891 1.00 2.43 N ATOM 665 CA GLU A 45 11.385 -20.503 1.202 1.00 12.41 C ATOM 666 C GLU A 45 10.017 -20.372 1.875 1.00 74.32 C ATOM 667 O GLU A 45 9.572 -19.257 2.156 1.00 52.21 O ATOM 668 CB GLU A 45 11.230 -20.891 -0.273 1.00 10.44 C ATOM 669 CG GLU A 45 12.482 -20.634 -1.098 1.00 2.34 C ATOM 670 CD GLU A 45 12.347 -21.119 -2.528 1.00 2.35 C ATOM 671 OE1 GLU A 45 12.576 -22.326 -2.764 1.00 35.01 O ATOM 672 OE2 GLU A 45 12.005 -20.301 -3.406 1.00 64.14 O ATOM 0 H GLU A 45 12.434 -22.313 1.353 1.00 2.43 H new ATOM 0 HA GLU A 45 11.870 -19.528 1.261 1.00 12.41 H new ATOM 0 HB2 GLU A 45 10.971 -21.948 -0.338 1.00 10.44 H new ATOM 0 HB3 GLU A 45 10.399 -20.332 -0.703 1.00 10.44 H new ATOM 0 HG2 GLU A 45 12.699 -19.566 -1.099 1.00 2.34 H new ATOM 0 HG3 GLU A 45 13.331 -21.131 -0.628 1.00 2.34 H new ATOM 679 N ILE A 46 9.352 -21.498 2.143 1.00 40.25 N ATOM 680 CA ILE A 46 8.038 -21.458 2.792 1.00 2.42 C ATOM 681 C ILE A 46 8.137 -20.751 4.149 1.00 23.22 C ATOM 682 O ILE A 46 7.298 -19.911 4.477 1.00 2.24 O ATOM 683 CB ILE A 46 7.399 -22.880 2.936 1.00 34.32 C ATOM 684 CG1 ILE A 46 6.031 -22.833 3.659 1.00 14.42 C ATOM 685 CG2 ILE A 46 8.342 -23.839 3.648 1.00 60.40 C ATOM 686 CD1 ILE A 46 6.108 -22.866 5.179 1.00 5.20 C ATOM 0 H ILE A 46 9.694 -22.434 1.925 1.00 40.25 H new ATOM 0 HA ILE A 46 7.371 -20.886 2.147 1.00 2.42 H new ATOM 0 HB ILE A 46 7.226 -23.250 1.925 1.00 34.32 H new ATOM 0 HG12 ILE A 46 5.507 -21.926 3.356 1.00 14.42 H new ATOM 0 HG13 ILE A 46 5.429 -23.677 3.322 1.00 14.42 H new ATOM 0 HG21 ILE A 46 7.870 -24.818 3.733 1.00 60.40 H new ATOM 0 HG22 ILE A 46 9.267 -23.930 3.078 1.00 60.40 H new ATOM 0 HG23 ILE A 46 8.566 -23.457 4.644 1.00 60.40 H new ATOM 0 HD11 ILE A 46 5.101 -22.829 5.595 1.00 5.20 H new ATOM 0 HD12 ILE A 46 6.599 -23.785 5.499 1.00 5.20 H new ATOM 0 HD13 ILE A 46 6.679 -22.007 5.533 1.00 5.20 H new ATOM 698 N LYS A 47 9.167 -21.085 4.932 1.00 61.14 N ATOM 699 CA LYS A 47 9.427 -20.372 6.180 1.00 33.02 C ATOM 700 C LYS A 47 9.629 -18.887 5.916 1.00 44.41 C ATOM 701 O LYS A 47 9.039 -18.049 6.592 1.00 14.11 O ATOM 702 CB LYS A 47 10.665 -20.923 6.898 1.00 63.24 C ATOM 703 CG LYS A 47 10.462 -22.270 7.572 1.00 43.11 C ATOM 704 CD LYS A 47 11.602 -22.555 8.546 1.00 45.04 C ATOM 705 CE LYS A 47 11.475 -23.923 9.207 1.00 73.15 C ATOM 706 NZ LYS A 47 12.590 -24.182 10.157 1.00 75.33 N ATOM 0 H LYS A 47 9.826 -21.836 4.725 1.00 61.14 H new ATOM 0 HA LYS A 47 8.557 -20.519 6.819 1.00 33.02 H new ATOM 0 HB2 LYS A 47 11.477 -21.012 6.176 1.00 63.24 H new ATOM 0 HB3 LYS A 47 10.984 -20.201 7.649 1.00 63.24 H new ATOM 0 HG2 LYS A 47 9.510 -22.278 8.104 1.00 43.11 H new ATOM 0 HG3 LYS A 47 10.413 -23.057 6.819 1.00 43.11 H new ATOM 0 HD2 LYS A 47 12.552 -22.498 8.015 1.00 45.04 H new ATOM 0 HD3 LYS A 47 11.620 -21.783 9.315 1.00 45.04 H new ATOM 0 HE2 LYS A 47 10.524 -23.984 9.737 1.00 73.15 H new ATOM 0 HE3 LYS A 47 11.463 -24.698 8.440 1.00 73.15 H new ATOM 0 HZ1 LYS A 47 12.469 -25.121 10.586 1.00 75.33 H new ATOM 0 HZ2 LYS A 47 13.496 -24.149 9.647 1.00 75.33 H new ATOM 0 HZ3 LYS A 47 12.586 -23.457 10.903 1.00 75.33 H new ATOM 720 N ALA A 48 10.460 -18.575 4.919 1.00 32.32 N ATOM 721 CA ALA A 48 10.758 -17.188 4.561 1.00 3.50 C ATOM 722 C ALA A 48 9.468 -16.403 4.353 1.00 23.32 C ATOM 723 O ALA A 48 9.360 -15.243 4.749 1.00 52.32 O ATOM 724 CB ALA A 48 11.630 -17.126 3.310 1.00 43.35 C ATOM 0 H ALA A 48 10.940 -19.268 4.344 1.00 32.32 H new ATOM 0 HA ALA A 48 11.311 -16.734 5.383 1.00 3.50 H new ATOM 0 HB1 ALA A 48 11.839 -16.085 3.063 1.00 43.35 H new ATOM 0 HB2 ALA A 48 12.568 -17.650 3.494 1.00 43.35 H new ATOM 0 HB3 ALA A 48 11.107 -17.598 2.478 1.00 43.35 H new ATOM 730 N ILE A 49 8.488 -17.056 3.734 1.00 73.51 N ATOM 731 CA ILE A 49 7.161 -16.482 3.579 1.00 11.34 C ATOM 732 C ILE A 49 6.563 -16.186 4.950 1.00 32.52 C ATOM 733 O ILE A 49 6.182 -15.053 5.240 1.00 25.45 O ATOM 734 CB ILE A 49 6.217 -17.429 2.788 1.00 75.31 C ATOM 735 CG1 ILE A 49 6.761 -17.656 1.370 1.00 71.25 C ATOM 736 CG2 ILE A 49 4.792 -16.876 2.733 1.00 22.32 C ATOM 737 CD1 ILE A 49 6.918 -16.380 0.571 1.00 74.30 C ATOM 0 H ILE A 49 8.592 -17.987 3.331 1.00 73.51 H new ATOM 0 HA ILE A 49 7.261 -15.557 3.012 1.00 11.34 H new ATOM 0 HB ILE A 49 6.182 -18.385 3.311 1.00 75.31 H new ATOM 0 HG12 ILE A 49 7.728 -18.155 1.436 1.00 71.25 H new ATOM 0 HG13 ILE A 49 6.091 -18.329 0.836 1.00 71.25 H new ATOM 0 HG21 ILE A 49 4.157 -17.562 2.173 1.00 22.32 H new ATOM 0 HG22 ILE A 49 4.404 -16.768 3.746 1.00 22.32 H new ATOM 0 HG23 ILE A 49 4.798 -15.903 2.241 1.00 22.32 H new ATOM 0 HD11 ILE A 49 7.306 -16.616 -0.420 1.00 74.30 H new ATOM 0 HD12 ILE A 49 5.949 -15.890 0.474 1.00 74.30 H new ATOM 0 HD13 ILE A 49 7.612 -15.713 1.083 1.00 74.30 H new ATOM 749 N ALA A 50 6.534 -17.203 5.808 1.00 21.02 N ATOM 750 CA ALA A 50 5.955 -17.071 7.140 1.00 1.35 C ATOM 751 C ALA A 50 6.589 -15.902 7.880 1.00 3.30 C ATOM 752 O ALA A 50 5.894 -15.119 8.524 1.00 40.12 O ATOM 753 CB ALA A 50 6.138 -18.360 7.934 1.00 61.30 C ATOM 0 H ALA A 50 6.906 -18.130 5.602 1.00 21.02 H new ATOM 0 HA ALA A 50 4.887 -16.879 7.033 1.00 1.35 H new ATOM 0 HB1 ALA A 50 5.700 -18.242 8.925 1.00 61.30 H new ATOM 0 HB2 ALA A 50 5.644 -19.181 7.414 1.00 61.30 H new ATOM 0 HB3 ALA A 50 7.201 -18.580 8.031 1.00 61.30 H new ATOM 759 N GLU A 51 7.910 -15.778 7.746 1.00 14.35 N ATOM 760 CA GLU A 51 8.669 -14.734 8.429 1.00 45.45 C ATOM 761 C GLU A 51 8.195 -13.348 8.007 1.00 61.23 C ATOM 762 O GLU A 51 8.190 -12.413 8.806 1.00 40.34 O ATOM 763 CB GLU A 51 10.168 -14.879 8.137 1.00 4.25 C ATOM 764 CG GLU A 51 10.728 -16.262 8.441 1.00 61.30 C ATOM 765 CD GLU A 51 12.245 -16.272 8.491 1.00 30.31 C ATOM 766 OE1 GLU A 51 12.880 -16.398 7.424 1.00 71.15 O ATOM 767 OE2 GLU A 51 12.811 -16.146 9.600 1.00 71.41 O ATOM 0 H GLU A 51 8.479 -16.394 7.165 1.00 14.35 H new ATOM 0 HA GLU A 51 8.501 -14.848 9.500 1.00 45.45 H new ATOM 0 HB2 GLU A 51 10.347 -14.649 7.087 1.00 4.25 H new ATOM 0 HB3 GLU A 51 10.715 -14.140 8.723 1.00 4.25 H new ATOM 0 HG2 GLU A 51 10.333 -16.609 9.396 1.00 61.30 H new ATOM 0 HG3 GLU A 51 10.387 -16.965 7.680 1.00 61.30 H new ATOM 774 N ASP A 52 7.804 -13.227 6.749 1.00 54.12 N ATOM 775 CA ASP A 52 7.299 -11.963 6.217 1.00 62.53 C ATOM 776 C ASP A 52 5.925 -11.656 6.802 1.00 5.34 C ATOM 777 O ASP A 52 5.695 -10.589 7.378 1.00 13.14 O ATOM 778 CB ASP A 52 7.209 -12.026 4.682 1.00 51.25 C ATOM 779 CG ASP A 52 6.780 -10.705 4.054 1.00 13.15 C ATOM 780 OD1 ASP A 52 5.572 -10.378 4.082 1.00 61.55 O ATOM 781 OD2 ASP A 52 7.652 -9.978 3.523 1.00 55.20 O ATOM 0 H ASP A 52 7.825 -13.989 6.072 1.00 54.12 H new ATOM 0 HA ASP A 52 7.991 -11.169 6.498 1.00 62.53 H new ATOM 0 HB2 ASP A 52 8.179 -12.315 4.279 1.00 51.25 H new ATOM 0 HB3 ASP A 52 6.501 -12.804 4.397 1.00 51.25 H new ATOM 786 N LEU A 53 5.028 -12.628 6.685 1.00 34.00 N ATOM 787 CA LEU A 53 3.623 -12.446 7.041 1.00 31.15 C ATOM 788 C LEU A 53 3.430 -12.230 8.543 1.00 63.44 C ATOM 789 O LEU A 53 2.581 -11.435 8.953 1.00 24.44 O ATOM 790 CB LEU A 53 2.795 -13.644 6.563 1.00 23.10 C ATOM 791 CG LEU A 53 2.520 -13.709 5.040 1.00 30.23 C ATOM 792 CD1 LEU A 53 1.773 -12.463 4.560 1.00 73.53 C ATOM 793 CD2 LEU A 53 3.803 -13.884 4.241 1.00 2.44 C ATOM 0 H LEU A 53 5.251 -13.562 6.342 1.00 34.00 H new ATOM 0 HA LEU A 53 3.275 -11.544 6.538 1.00 31.15 H new ATOM 0 HB2 LEU A 53 3.309 -14.558 6.860 1.00 23.10 H new ATOM 0 HB3 LEU A 53 1.839 -13.632 7.086 1.00 23.10 H new ATOM 0 HG LEU A 53 1.892 -14.583 4.870 1.00 30.23 H new ATOM 0 HD11 LEU A 53 1.594 -12.537 3.487 1.00 73.53 H new ATOM 0 HD12 LEU A 53 0.820 -12.387 5.083 1.00 73.53 H new ATOM 0 HD13 LEU A 53 2.373 -11.577 4.768 1.00 73.53 H new ATOM 0 HD21 LEU A 53 3.567 -13.925 3.178 1.00 2.44 H new ATOM 0 HD22 LEU A 53 4.469 -13.042 4.433 1.00 2.44 H new ATOM 0 HD23 LEU A 53 4.294 -14.810 4.540 1.00 2.44 H new ATOM 805 N GLU A 54 4.213 -12.919 9.367 1.00 42.35 N ATOM 806 CA GLU A 54 4.112 -12.755 10.818 1.00 71.35 C ATOM 807 C GLU A 54 4.495 -11.328 11.223 1.00 51.43 C ATOM 808 O GLU A 54 3.993 -10.800 12.215 1.00 2.04 O ATOM 809 CB GLU A 54 4.991 -13.770 11.559 1.00 71.34 C ATOM 810 CG GLU A 54 6.443 -13.762 11.105 1.00 45.42 C ATOM 811 CD GLU A 54 7.421 -14.075 12.222 1.00 2.40 C ATOM 812 OE1 GLU A 54 7.426 -13.337 13.233 1.00 1.20 O ATOM 813 OE2 GLU A 54 8.211 -15.029 12.091 1.00 25.13 O ATOM 0 H GLU A 54 4.918 -13.590 9.062 1.00 42.35 H new ATOM 0 HA GLU A 54 3.075 -12.938 11.101 1.00 71.35 H new ATOM 0 HB2 GLU A 54 4.952 -13.560 12.628 1.00 71.34 H new ATOM 0 HB3 GLU A 54 4.579 -14.769 11.415 1.00 71.34 H new ATOM 0 HG2 GLU A 54 6.571 -14.491 10.305 1.00 45.42 H new ATOM 0 HG3 GLU A 54 6.681 -12.784 10.686 1.00 45.42 H new ATOM 820 N LYS A 55 5.377 -10.702 10.438 1.00 30.13 N ATOM 821 CA LYS A 55 5.767 -9.309 10.668 1.00 60.30 C ATOM 822 C LYS A 55 4.686 -8.354 10.153 1.00 11.44 C ATOM 823 O LYS A 55 4.799 -7.137 10.297 1.00 63.12 O ATOM 824 CB LYS A 55 7.124 -8.991 10.004 1.00 20.00 C ATOM 825 CG LYS A 55 8.341 -9.233 10.899 1.00 21.43 C ATOM 826 CD LYS A 55 8.479 -10.695 11.318 1.00 14.14 C ATOM 827 CE LYS A 55 9.718 -10.923 12.175 1.00 75.02 C ATOM 828 NZ LYS A 55 9.883 -12.354 12.546 1.00 63.03 N ATOM 0 H LYS A 55 5.834 -11.139 9.638 1.00 30.13 H new ATOM 0 HA LYS A 55 5.875 -9.167 11.743 1.00 60.30 H new ATOM 0 HB2 LYS A 55 7.225 -9.597 9.104 1.00 20.00 H new ATOM 0 HB3 LYS A 55 7.124 -7.948 9.687 1.00 20.00 H new ATOM 0 HG2 LYS A 55 9.243 -8.923 10.371 1.00 21.43 H new ATOM 0 HG3 LYS A 55 8.263 -8.609 11.789 1.00 21.43 H new ATOM 0 HD2 LYS A 55 7.592 -10.999 11.873 1.00 14.14 H new ATOM 0 HD3 LYS A 55 8.531 -11.325 10.430 1.00 14.14 H new ATOM 0 HE2 LYS A 55 10.601 -10.585 11.633 1.00 75.02 H new ATOM 0 HE3 LYS A 55 9.649 -10.319 13.080 1.00 75.02 H new ATOM 0 HZ1 LYS A 55 10.772 -12.476 13.071 1.00 63.03 H new ATOM 0 HZ2 LYS A 55 9.085 -12.652 13.143 1.00 63.03 H new ATOM 0 HZ3 LYS A 55 9.907 -12.936 11.684 1.00 63.03 H new ATOM 842 N ARG A 56 3.653 -8.915 9.528 1.00 63.50 N ATOM 843 CA ARG A 56 2.500 -8.139 9.080 1.00 74.04 C ATOM 844 C ARG A 56 1.397 -8.237 10.130 1.00 1.10 C ATOM 845 O ARG A 56 0.685 -7.267 10.396 1.00 45.04 O ATOM 846 CB ARG A 56 1.985 -8.649 7.721 1.00 13.44 C ATOM 847 CG ARG A 56 3.091 -8.930 6.706 1.00 60.23 C ATOM 848 CD ARG A 56 3.966 -7.710 6.448 1.00 20.44 C ATOM 849 NE ARG A 56 5.208 -8.067 5.760 1.00 20.11 N ATOM 850 CZ ARG A 56 6.420 -7.658 6.137 1.00 51.15 C ATOM 851 NH1 ARG A 56 6.569 -6.873 7.200 1.00 31.34 N ATOM 852 NH2 ARG A 56 7.485 -8.046 5.457 1.00 24.14 N ATOM 0 H ARG A 56 3.592 -9.912 9.319 1.00 63.50 H new ATOM 0 HA ARG A 56 2.800 -7.099 8.954 1.00 74.04 H new ATOM 0 HB2 ARG A 56 1.411 -9.562 7.880 1.00 13.44 H new ATOM 0 HB3 ARG A 56 1.300 -7.911 7.303 1.00 13.44 H new ATOM 0 HG2 ARG A 56 3.712 -9.749 7.067 1.00 60.23 H new ATOM 0 HG3 ARG A 56 2.644 -9.258 5.768 1.00 60.23 H new ATOM 0 HD2 ARG A 56 3.413 -6.987 5.848 1.00 20.44 H new ATOM 0 HD3 ARG A 56 4.202 -7.225 7.395 1.00 20.44 H new ATOM 0 HE ARG A 56 5.142 -8.668 4.938 1.00 20.11 H new ATOM 0 HH11 ARG A 56 5.752 -6.578 7.735 1.00 31.34 H new ATOM 0 HH12 ARG A 56 7.500 -6.565 7.480 1.00 31.34 H new ATOM 0 HH21 ARG A 56 7.378 -8.656 4.647 1.00 24.14 H new ATOM 0 HH22 ARG A 56 8.414 -7.735 5.743 1.00 24.14 H new ATOM 866 N ALA A 57 1.274 -9.424 10.725 1.00 75.53 N ATOM 867 CA ALA A 57 0.311 -9.672 11.791 1.00 40.24 C ATOM 868 C ALA A 57 0.666 -10.965 12.533 1.00 71.25 C ATOM 869 O ALA A 57 0.514 -12.059 11.995 1.00 53.35 O ATOM 870 CB ALA A 57 -1.107 -9.750 11.228 1.00 34.42 C ATOM 0 H ALA A 57 1.839 -10.237 10.480 1.00 75.53 H new ATOM 0 HA ALA A 57 0.352 -8.842 12.496 1.00 40.24 H new ATOM 0 HB1 ALA A 57 -1.811 -9.936 12.039 1.00 34.42 H new ATOM 0 HB2 ALA A 57 -1.357 -8.808 10.739 1.00 34.42 H new ATOM 0 HB3 ALA A 57 -1.167 -10.562 10.503 1.00 34.42 H new ATOM 876 N HIS A 58 1.146 -10.828 13.766 1.00 23.12 N ATOM 877 CA HIS A 58 1.542 -11.983 14.581 1.00 21.31 C ATOM 878 C HIS A 58 0.317 -12.755 15.071 1.00 2.53 C ATOM 879 O HIS A 58 0.436 -13.857 15.608 1.00 62.41 O ATOM 880 CB HIS A 58 2.397 -11.542 15.779 1.00 52.13 C ATOM 881 CG HIS A 58 3.740 -10.991 15.398 1.00 71.23 C ATOM 882 ND1 HIS A 58 4.867 -11.773 15.277 1.00 12.41 N ATOM 883 CD2 HIS A 58 4.133 -9.726 15.114 1.00 64.10 C ATOM 884 CE1 HIS A 58 5.892 -11.017 14.938 1.00 73.52 C ATOM 885 NE2 HIS A 58 5.475 -9.770 14.833 1.00 44.32 N ATOM 0 H HIS A 58 1.272 -9.927 14.228 1.00 23.12 H new ATOM 0 HA HIS A 58 2.138 -12.642 13.950 1.00 21.31 H new ATOM 0 HB2 HIS A 58 1.852 -10.785 16.343 1.00 52.13 H new ATOM 0 HB3 HIS A 58 2.540 -12.394 16.444 1.00 52.13 H new ATOM 0 HD2 HIS A 58 3.506 -8.846 15.110 1.00 64.10 H new ATOM 0 HE1 HIS A 58 6.903 -11.361 14.774 1.00 73.52 H new ATOM 0 HE2 HIS A 58 6.056 -8.969 14.584 1.00 44.32 H new ATOM 894 N PHE A 59 -0.859 -12.169 14.882 1.00 45.53 N ATOM 895 CA PHE A 59 -2.114 -12.809 15.264 1.00 61.11 C ATOM 896 C PHE A 59 -2.557 -13.816 14.203 1.00 4.21 C ATOM 897 O PHE A 59 -3.570 -14.498 14.368 1.00 51.30 O ATOM 898 CB PHE A 59 -3.205 -11.751 15.486 1.00 63.21 C ATOM 899 CG PHE A 59 -2.904 -10.801 16.620 1.00 13.13 C ATOM 900 CD1 PHE A 59 -3.248 -11.124 17.924 1.00 55.13 C ATOM 901 CD2 PHE A 59 -2.278 -9.587 16.380 1.00 72.53 C ATOM 902 CE1 PHE A 59 -2.973 -10.255 18.965 1.00 72.34 C ATOM 903 CE2 PHE A 59 -2.002 -8.715 17.416 1.00 53.22 C ATOM 904 CZ PHE A 59 -2.349 -9.049 18.709 1.00 32.55 C ATOM 0 H PHE A 59 -0.971 -11.245 14.464 1.00 45.53 H new ATOM 0 HA PHE A 59 -1.952 -13.348 16.198 1.00 61.11 H new ATOM 0 HB2 PHE A 59 -3.336 -11.178 14.568 1.00 63.21 H new ATOM 0 HB3 PHE A 59 -4.151 -12.254 15.686 1.00 63.21 H new ATOM 0 HD1 PHE A 59 -3.736 -12.065 18.129 1.00 55.13 H new ATOM 0 HD2 PHE A 59 -2.003 -9.320 15.371 1.00 72.53 H new ATOM 0 HE1 PHE A 59 -3.246 -10.519 19.976 1.00 72.34 H new ATOM 0 HE2 PHE A 59 -1.515 -7.773 17.214 1.00 53.22 H new ATOM 0 HZ PHE A 59 -2.133 -8.369 19.520 1.00 32.55 H new ATOM 914 N ASP A 60 -1.788 -13.906 13.115 1.00 3.23 N ATOM 915 CA ASP A 60 -2.091 -14.829 12.020 1.00 22.13 C ATOM 916 C ASP A 60 -2.075 -16.277 12.498 1.00 20.41 C ATOM 917 O ASP A 60 -1.184 -16.687 13.250 1.00 31.31 O ATOM 918 CB ASP A 60 -1.093 -14.661 10.871 1.00 1.13 C ATOM 919 CG ASP A 60 -1.313 -15.689 9.771 1.00 72.32 C ATOM 920 OD1 ASP A 60 -2.145 -15.432 8.874 1.00 21.21 O ATOM 921 OD2 ASP A 60 -0.676 -16.769 9.819 1.00 64.02 O ATOM 0 H ASP A 60 -0.947 -13.348 12.969 1.00 3.23 H new ATOM 0 HA ASP A 60 -3.092 -14.588 11.662 1.00 22.13 H new ATOM 0 HB2 ASP A 60 -1.186 -13.658 10.454 1.00 1.13 H new ATOM 0 HB3 ASP A 60 -0.078 -14.754 11.256 1.00 1.13 H new ATOM 926 N HIS A 61 -3.088 -17.036 12.093 1.00 13.11 N ATOM 927 CA HIS A 61 -3.166 -18.458 12.411 1.00 64.41 C ATOM 928 C HIS A 61 -3.417 -19.307 11.169 1.00 11.03 C ATOM 929 O HIS A 61 -4.041 -20.364 11.264 1.00 35.12 O ATOM 930 CB HIS A 61 -4.237 -18.733 13.481 1.00 74.10 C ATOM 931 CG HIS A 61 -3.690 -18.721 14.877 1.00 43.02 C ATOM 932 ND1 HIS A 61 -2.976 -19.774 15.413 1.00 14.13 N ATOM 933 CD2 HIS A 61 -3.737 -17.771 15.843 1.00 43.44 C ATOM 934 CE1 HIS A 61 -2.607 -19.470 16.643 1.00 75.35 C ATOM 935 NE2 HIS A 61 -3.053 -18.263 16.928 1.00 64.30 N ATOM 0 H HIS A 61 -3.871 -16.687 11.540 1.00 13.11 H new ATOM 0 HA HIS A 61 -2.196 -18.745 12.816 1.00 64.41 H new ATOM 0 HB2 HIS A 61 -5.025 -17.984 13.399 1.00 74.10 H new ATOM 0 HB3 HIS A 61 -4.697 -19.702 13.286 1.00 74.10 H new ATOM 0 HD2 HIS A 61 -4.221 -16.808 15.773 1.00 43.44 H new ATOM 0 HE1 HIS A 61 -2.036 -20.104 17.305 1.00 75.35 H new ATOM 0 HE2 HIS A 61 -2.913 -17.773 17.812 1.00 64.30 H new ATOM 944 N ILE A 62 -2.951 -18.867 9.998 1.00 73.14 N ATOM 945 CA ILE A 62 -3.091 -19.700 8.804 1.00 65.44 C ATOM 946 C ILE A 62 -2.076 -20.848 8.846 1.00 41.11 C ATOM 947 O ILE A 62 -2.104 -21.744 8.006 1.00 32.13 O ATOM 948 CB ILE A 62 -2.986 -18.911 7.468 1.00 10.35 C ATOM 949 CG1 ILE A 62 -1.582 -18.327 7.253 1.00 42.10 C ATOM 950 CG2 ILE A 62 -4.044 -17.807 7.432 1.00 43.04 C ATOM 951 CD1 ILE A 62 -1.451 -17.518 5.976 1.00 32.42 C ATOM 0 H ILE A 62 -2.489 -17.970 9.853 1.00 73.14 H new ATOM 0 HA ILE A 62 -4.104 -20.102 8.823 1.00 65.44 H new ATOM 0 HB ILE A 62 -3.168 -19.609 6.651 1.00 10.35 H new ATOM 0 HG12 ILE A 62 -1.327 -17.694 8.103 1.00 42.10 H new ATOM 0 HG13 ILE A 62 -0.858 -19.141 7.234 1.00 42.10 H new ATOM 0 HG21 ILE A 62 -3.965 -17.258 6.494 1.00 43.04 H new ATOM 0 HG22 ILE A 62 -5.036 -18.251 7.510 1.00 43.04 H new ATOM 0 HG23 ILE A 62 -3.886 -17.124 8.266 1.00 43.04 H new ATOM 0 HD11 ILE A 62 -0.434 -17.137 5.890 1.00 32.42 H new ATOM 0 HD12 ILE A 62 -1.674 -18.153 5.119 1.00 32.42 H new ATOM 0 HD13 ILE A 62 -2.151 -16.683 6.001 1.00 32.42 H new ATOM 963 N ASP A 63 -1.189 -20.794 9.849 1.00 1.43 N ATOM 964 CA ASP A 63 -0.334 -21.926 10.238 1.00 15.25 C ATOM 965 C ASP A 63 0.422 -22.514 9.049 1.00 43.10 C ATOM 966 O ASP A 63 0.554 -23.735 8.938 1.00 22.32 O ATOM 967 CB ASP A 63 -1.178 -23.029 10.908 1.00 62.22 C ATOM 968 CG ASP A 63 -1.878 -22.575 12.184 1.00 62.44 C ATOM 969 OD1 ASP A 63 -1.219 -21.959 13.051 1.00 71.15 O ATOM 970 OD2 ASP A 63 -3.093 -22.842 12.329 1.00 31.43 O ATOM 0 H ASP A 63 -1.043 -19.959 10.417 1.00 1.43 H new ATOM 0 HA ASP A 63 0.401 -21.542 10.945 1.00 15.25 H new ATOM 0 HB2 ASP A 63 -1.927 -23.382 10.199 1.00 62.22 H new ATOM 0 HB3 ASP A 63 -0.534 -23.877 11.140 1.00 62.22 H new ATOM 975 N ILE A 64 0.958 -21.643 8.194 1.00 35.01 N ATOM 976 CA ILE A 64 1.602 -22.064 6.947 1.00 74.34 C ATOM 977 C ILE A 64 2.563 -23.244 7.152 1.00 73.52 C ATOM 978 O ILE A 64 2.555 -24.208 6.388 1.00 13.12 O ATOM 979 CB ILE A 64 2.356 -20.878 6.277 1.00 55.31 C ATOM 980 CG1 ILE A 64 2.843 -21.286 4.887 1.00 32.33 C ATOM 981 CG2 ILE A 64 3.534 -20.407 7.134 1.00 31.33 C ATOM 982 CD1 ILE A 64 3.233 -20.119 4.006 1.00 23.31 C ATOM 0 H ILE A 64 0.959 -20.634 8.343 1.00 35.01 H new ATOM 0 HA ILE A 64 0.802 -22.399 6.286 1.00 74.34 H new ATOM 0 HB ILE A 64 1.659 -20.045 6.184 1.00 55.31 H new ATOM 0 HG12 ILE A 64 3.701 -21.950 4.994 1.00 32.33 H new ATOM 0 HG13 ILE A 64 2.058 -21.857 4.391 1.00 32.33 H new ATOM 0 HG21 ILE A 64 4.038 -19.578 6.636 1.00 31.33 H new ATOM 0 HG22 ILE A 64 3.168 -20.078 8.106 1.00 31.33 H new ATOM 0 HG23 ILE A 64 4.236 -21.229 7.270 1.00 31.33 H new ATOM 0 HD11 ILE A 64 3.567 -20.490 3.037 1.00 23.31 H new ATOM 0 HD12 ILE A 64 2.372 -19.465 3.866 1.00 23.31 H new ATOM 0 HD13 ILE A 64 4.041 -19.560 4.479 1.00 23.31 H new ATOM 994 N GLY A 65 3.364 -23.174 8.205 1.00 24.22 N ATOM 995 CA GLY A 65 4.336 -24.222 8.491 1.00 1.30 C ATOM 996 C GLY A 65 3.699 -25.518 8.974 1.00 31.50 C ATOM 997 O GLY A 65 4.245 -26.604 8.758 1.00 64.12 O ATOM 0 H GLY A 65 3.361 -22.405 8.875 1.00 24.22 H new ATOM 0 HA2 GLY A 65 4.917 -24.424 7.591 1.00 1.30 H new ATOM 0 HA3 GLY A 65 5.034 -23.864 9.248 1.00 1.30 H new ATOM 1001 N VAL A 66 2.544 -25.410 9.624 1.00 52.41 N ATOM 1002 CA VAL A 66 1.872 -26.570 10.214 1.00 10.01 C ATOM 1003 C VAL A 66 1.250 -27.462 9.139 1.00 22.33 C ATOM 1004 O VAL A 66 1.283 -28.690 9.252 1.00 54.21 O ATOM 1005 CB VAL A 66 0.782 -26.134 11.227 1.00 42.25 C ATOM 1006 CG1 VAL A 66 0.056 -27.345 11.812 1.00 35.32 C ATOM 1007 CG2 VAL A 66 1.396 -25.282 12.338 1.00 25.14 C ATOM 0 H VAL A 66 2.050 -24.528 9.757 1.00 52.41 H new ATOM 0 HA VAL A 66 2.633 -27.143 10.743 1.00 10.01 H new ATOM 0 HB VAL A 66 0.047 -25.531 10.694 1.00 42.25 H new ATOM 0 HG11 VAL A 66 -0.702 -27.008 12.519 1.00 35.32 H new ATOM 0 HG12 VAL A 66 -0.421 -27.907 11.009 1.00 35.32 H new ATOM 0 HG13 VAL A 66 0.773 -27.985 12.326 1.00 35.32 H new ATOM 0 HG21 VAL A 66 0.618 -24.984 13.041 1.00 25.14 H new ATOM 0 HG22 VAL A 66 2.156 -25.861 12.863 1.00 25.14 H new ATOM 0 HG23 VAL A 66 1.853 -24.392 11.904 1.00 25.14 H new ATOM 1017 N LEU A 67 0.701 -26.853 8.089 1.00 55.10 N ATOM 1018 CA LEU A 67 0.074 -27.621 7.007 1.00 53.21 C ATOM 1019 C LEU A 67 1.071 -28.602 6.392 1.00 52.34 C ATOM 1020 O LEU A 67 0.686 -29.673 5.927 1.00 51.42 O ATOM 1021 CB LEU A 67 -0.501 -26.712 5.909 1.00 43.44 C ATOM 1022 CG LEU A 67 -1.785 -25.935 6.259 1.00 1.21 C ATOM 1023 CD1 LEU A 67 -2.789 -26.817 7.001 1.00 3.51 C ATOM 1024 CD2 LEU A 67 -1.476 -24.671 7.049 1.00 50.24 C ATOM 0 H LEU A 67 0.676 -25.841 7.962 1.00 55.10 H new ATOM 0 HA LEU A 67 -0.753 -28.175 7.452 1.00 53.21 H new ATOM 0 HB2 LEU A 67 0.267 -25.992 5.626 1.00 43.44 H new ATOM 0 HB3 LEU A 67 -0.702 -27.325 5.030 1.00 43.44 H new ATOM 0 HG LEU A 67 -2.244 -25.631 5.318 1.00 1.21 H new ATOM 0 HD11 LEU A 67 -3.682 -26.237 7.232 1.00 3.51 H new ATOM 0 HD12 LEU A 67 -3.060 -27.666 6.374 1.00 3.51 H new ATOM 0 HD13 LEU A 67 -2.341 -27.178 7.927 1.00 3.51 H new ATOM 0 HD21 LEU A 67 -2.405 -24.149 7.278 1.00 50.24 H new ATOM 0 HD22 LEU A 67 -0.971 -24.937 7.977 1.00 50.24 H new ATOM 0 HD23 LEU A 67 -0.831 -24.021 6.458 1.00 50.24 H new ATOM 1036 N ILE A 68 2.352 -28.235 6.407 1.00 31.54 N ATOM 1037 CA ILE A 68 3.410 -29.116 5.901 1.00 2.51 C ATOM 1038 C ILE A 68 3.380 -30.457 6.636 1.00 51.44 C ATOM 1039 O ILE A 68 3.555 -31.521 6.034 1.00 60.32 O ATOM 1040 CB ILE A 68 4.814 -28.473 6.063 1.00 45.02 C ATOM 1041 CG1 ILE A 68 4.889 -27.147 5.289 1.00 32.52 C ATOM 1042 CG2 ILE A 68 5.912 -29.434 5.592 1.00 72.11 C ATOM 1043 CD1 ILE A 68 6.235 -26.457 5.388 1.00 31.33 C ATOM 0 H ILE A 68 2.684 -27.338 6.762 1.00 31.54 H new ATOM 0 HA ILE A 68 3.223 -29.274 4.839 1.00 2.51 H new ATOM 0 HB ILE A 68 4.975 -28.267 7.121 1.00 45.02 H new ATOM 0 HG12 ILE A 68 4.664 -27.336 4.239 1.00 32.52 H new ATOM 0 HG13 ILE A 68 4.118 -26.474 5.664 1.00 32.52 H new ATOM 0 HG21 ILE A 68 6.886 -28.961 5.715 1.00 72.11 H new ATOM 0 HG22 ILE A 68 5.874 -30.348 6.185 1.00 72.11 H new ATOM 0 HG23 ILE A 68 5.757 -29.677 4.541 1.00 72.11 H new ATOM 0 HD11 ILE A 68 6.211 -25.529 4.817 1.00 31.33 H new ATOM 0 HD12 ILE A 68 6.454 -26.235 6.432 1.00 31.33 H new ATOM 0 HD13 ILE A 68 7.009 -27.110 4.986 1.00 31.33 H new ATOM 1055 N THR A 69 3.117 -30.391 7.935 1.00 24.31 N ATOM 1056 CA THR A 69 3.046 -31.576 8.780 1.00 33.41 C ATOM 1057 C THR A 69 1.802 -32.387 8.427 1.00 42.44 C ATOM 1058 O THR A 69 1.766 -33.610 8.571 1.00 21.42 O ATOM 1059 CB THR A 69 3.020 -31.163 10.271 1.00 21.35 C ATOM 1060 OG1 THR A 69 4.243 -30.488 10.609 1.00 24.41 O ATOM 1061 CG2 THR A 69 2.833 -32.366 11.185 1.00 64.12 C ATOM 0 H THR A 69 2.947 -29.516 8.432 1.00 24.31 H new ATOM 0 HA THR A 69 3.927 -32.194 8.608 1.00 33.41 H new ATOM 0 HB THR A 69 2.172 -30.494 10.417 1.00 21.35 H new ATOM 0 HG1 THR A 69 4.222 -30.227 11.553 1.00 24.41 H new ATOM 0 HG21 THR A 69 2.820 -32.035 12.224 1.00 64.12 H new ATOM 0 HG22 THR A 69 1.890 -32.859 10.949 1.00 64.12 H new ATOM 0 HG23 THR A 69 3.655 -33.066 11.038 1.00 64.12 H new ATOM 1069 N GLN A 70 0.795 -31.682 7.931 1.00 34.14 N ATOM 1070 CA GLN A 70 -0.464 -32.286 7.534 1.00 71.34 C ATOM 1071 C GLN A 70 -0.292 -33.101 6.257 1.00 10.03 C ATOM 1072 O GLN A 70 -0.627 -34.281 6.217 1.00 34.11 O ATOM 1073 CB GLN A 70 -1.493 -31.183 7.316 1.00 31.34 C ATOM 1074 CG GLN A 70 -1.724 -30.329 8.552 1.00 51.21 C ATOM 1075 CD GLN A 70 -2.730 -30.946 9.495 1.00 22.45 C ATOM 1076 OE1 GLN A 70 -2.378 -31.690 10.410 1.00 33.32 O ATOM 1077 NE2 GLN A 70 -3.992 -30.652 9.259 1.00 21.40 N ATOM 0 H GLN A 70 0.831 -30.672 7.793 1.00 34.14 H new ATOM 0 HA GLN A 70 -0.803 -32.960 8.321 1.00 71.34 H new ATOM 0 HB2 GLN A 70 -1.163 -30.544 6.497 1.00 31.34 H new ATOM 0 HB3 GLN A 70 -2.438 -31.632 7.010 1.00 31.34 H new ATOM 0 HG2 GLN A 70 -0.778 -30.187 9.075 1.00 51.21 H new ATOM 0 HG3 GLN A 70 -2.072 -29.341 8.249 1.00 51.21 H new ATOM 0 HE21 GLN A 70 -4.235 -30.030 8.488 1.00 21.40 H new ATOM 0 HE22 GLN A 70 -4.726 -31.046 9.847 1.00 21.40 H new ATOM 1086 N MET A 71 0.257 -32.460 5.228 1.00 14.01 N ATOM 1087 CA MET A 71 0.403 -33.073 3.904 1.00 13.13 C ATOM 1088 C MET A 71 1.212 -34.366 3.969 1.00 21.22 C ATOM 1089 O MET A 71 0.883 -35.351 3.302 1.00 40.43 O ATOM 1090 CB MET A 71 1.083 -32.097 2.935 1.00 61.13 C ATOM 1091 CG MET A 71 0.310 -30.802 2.692 1.00 14.31 C ATOM 1092 SD MET A 71 1.244 -29.341 3.191 1.00 65.25 S ATOM 1093 CE MET A 71 2.786 -29.604 2.317 1.00 3.01 C ATOM 0 H MET A 71 0.613 -31.506 5.284 1.00 14.01 H new ATOM 0 HA MET A 71 -0.598 -33.310 3.544 1.00 13.13 H new ATOM 0 HB2 MET A 71 2.070 -31.848 3.324 1.00 61.13 H new ATOM 0 HB3 MET A 71 1.234 -32.600 1.980 1.00 61.13 H new ATOM 0 HG2 MET A 71 0.058 -30.725 1.634 1.00 14.31 H new ATOM 0 HG3 MET A 71 -0.630 -30.834 3.242 1.00 14.31 H new ATOM 0 HE1 MET A 71 3.143 -28.655 1.916 1.00 3.01 H new ATOM 0 HE2 MET A 71 3.529 -30.011 3.003 1.00 3.01 H new ATOM 0 HE3 MET A 71 2.625 -30.306 1.499 1.00 3.01 H new ATOM 1103 N THR A 72 2.270 -34.358 4.772 1.00 74.35 N ATOM 1104 CA THR A 72 3.183 -35.494 4.842 1.00 54.12 C ATOM 1105 C THR A 72 2.511 -36.697 5.508 1.00 21.40 C ATOM 1106 O THR A 72 2.914 -37.844 5.300 1.00 10.21 O ATOM 1107 CB THR A 72 4.483 -35.127 5.607 1.00 4.43 C ATOM 1108 OG1 THR A 72 5.514 -36.081 5.306 1.00 54.05 O ATOM 1109 CG2 THR A 72 4.258 -35.084 7.118 1.00 32.34 C ATOM 0 H THR A 72 2.517 -33.579 5.383 1.00 74.35 H new ATOM 0 HA THR A 72 3.447 -35.760 3.819 1.00 54.12 H new ATOM 0 HB THR A 72 4.787 -34.133 5.281 1.00 4.43 H new ATOM 0 HG1 THR A 72 6.332 -35.843 5.791 1.00 54.05 H new ATOM 0 HG21 THR A 72 5.191 -34.824 7.618 1.00 32.34 H new ATOM 0 HG22 THR A 72 3.500 -34.336 7.352 1.00 32.34 H new ATOM 0 HG23 THR A 72 3.922 -36.061 7.464 1.00 32.34 H new ATOM 1117 N ASP A 73 1.483 -36.421 6.304 1.00 14.31 N ATOM 1118 CA ASP A 73 0.778 -37.454 7.055 1.00 73.20 C ATOM 1119 C ASP A 73 -0.480 -37.890 6.306 1.00 63.12 C ATOM 1120 O ASP A 73 -0.798 -39.080 6.235 1.00 62.50 O ATOM 1121 CB ASP A 73 0.406 -36.906 8.437 1.00 53.23 C ATOM 1122 CG ASP A 73 -0.174 -37.969 9.361 1.00 24.13 C ATOM 1123 OD1 ASP A 73 0.610 -38.713 9.986 1.00 61.41 O ATOM 1124 OD2 ASP A 73 -1.415 -38.059 9.475 1.00 73.12 O ATOM 0 H ASP A 73 1.116 -35.480 6.446 1.00 14.31 H new ATOM 0 HA ASP A 73 1.427 -38.322 7.170 1.00 73.20 H new ATOM 0 HB2 ASP A 73 1.292 -36.473 8.901 1.00 53.23 H new ATOM 0 HB3 ASP A 73 -0.318 -36.100 8.320 1.00 53.23 H new ATOM 1129 N GLU A 74 -1.175 -36.911 5.745 1.00 53.04 N ATOM 1130 CA GLU A 74 -2.413 -37.139 5.015 1.00 13.52 C ATOM 1131 C GLU A 74 -2.560 -36.117 3.891 1.00 52.34 C ATOM 1132 O GLU A 74 -2.546 -34.909 4.136 1.00 43.45 O ATOM 1133 CB GLU A 74 -3.617 -37.036 5.964 1.00 65.33 C ATOM 1134 CG GLU A 74 -4.968 -37.128 5.259 1.00 22.12 C ATOM 1135 CD GLU A 74 -6.141 -36.909 6.199 1.00 33.50 C ATOM 1136 OE1 GLU A 74 -6.498 -35.738 6.452 1.00 51.53 O ATOM 1137 OE2 GLU A 74 -6.709 -37.904 6.697 1.00 64.11 O ATOM 0 H GLU A 74 -0.894 -35.931 5.784 1.00 53.04 H new ATOM 0 HA GLU A 74 -2.380 -38.140 4.586 1.00 13.52 H new ATOM 0 HB2 GLU A 74 -3.551 -37.831 6.707 1.00 65.33 H new ATOM 0 HB3 GLU A 74 -3.563 -36.090 6.503 1.00 65.33 H new ATOM 0 HG2 GLU A 74 -5.006 -36.388 4.460 1.00 22.12 H new ATOM 0 HG3 GLU A 74 -5.062 -38.108 4.791 1.00 22.12 H new ATOM 1144 N MET A 75 -2.692 -36.597 2.658 1.00 3.01 N ATOM 1145 CA MET A 75 -2.972 -35.722 1.530 1.00 44.15 C ATOM 1146 C MET A 75 -4.448 -35.328 1.544 1.00 2.42 C ATOM 1147 O MET A 75 -5.321 -36.194 1.613 1.00 23.31 O ATOM 1148 CB MET A 75 -2.616 -36.405 0.202 1.00 64.55 C ATOM 1149 CG MET A 75 -1.126 -36.668 0.025 1.00 34.12 C ATOM 1150 SD MET A 75 -0.731 -37.333 -1.606 1.00 53.33 S ATOM 1151 CE MET A 75 -1.345 -36.014 -2.650 1.00 73.05 C ATOM 0 H MET A 75 -2.609 -37.585 2.417 1.00 3.01 H new ATOM 0 HA MET A 75 -2.357 -34.827 1.621 1.00 44.15 H new ATOM 0 HB2 MET A 75 -3.153 -37.351 0.136 1.00 64.55 H new ATOM 0 HB3 MET A 75 -2.966 -35.782 -0.621 1.00 64.55 H new ATOM 0 HG2 MET A 75 -0.576 -35.740 0.178 1.00 34.12 H new ATOM 0 HG3 MET A 75 -0.790 -37.368 0.790 1.00 34.12 H new ATOM 0 HE1 MET A 75 -0.692 -35.901 -3.515 1.00 73.05 H new ATOM 0 HE2 MET A 75 -2.354 -36.255 -2.985 1.00 73.05 H new ATOM 0 HE3 MET A 75 -1.364 -35.082 -2.085 1.00 73.05 H new ATOM 1161 N PRO A 76 -4.745 -34.019 1.488 1.00 3.41 N ATOM 1162 CA PRO A 76 -6.127 -33.517 1.540 1.00 54.22 C ATOM 1163 C PRO A 76 -6.962 -33.999 0.341 1.00 61.51 C ATOM 1164 O PRO A 76 -7.659 -35.013 0.425 1.00 1.43 O ATOM 1165 CB PRO A 76 -5.937 -31.986 1.537 1.00 4.34 C ATOM 1166 CG PRO A 76 -4.611 -31.779 0.887 1.00 35.41 C ATOM 1167 CD PRO A 76 -3.766 -32.921 1.368 1.00 32.14 C ATOM 0 HA PRO A 76 -6.680 -33.876 2.408 1.00 54.22 H new ATOM 0 HB2 PRO A 76 -6.733 -31.488 0.984 1.00 4.34 H new ATOM 0 HB3 PRO A 76 -5.951 -31.582 2.549 1.00 4.34 H new ATOM 0 HG2 PRO A 76 -4.698 -31.782 -0.199 1.00 35.41 H new ATOM 0 HG3 PRO A 76 -4.177 -30.820 1.170 1.00 35.41 H new ATOM 0 HD2 PRO A 76 -2.971 -33.162 0.662 1.00 32.14 H new ATOM 0 HD3 PRO A 76 -3.288 -32.698 2.322 1.00 32.14 H new ATOM 1175 N ARG A 77 -6.872 -33.272 -0.771 1.00 42.15 N ATOM 1176 CA ARG A 77 -7.544 -33.626 -2.018 1.00 24.23 C ATOM 1177 C ARG A 77 -6.792 -32.985 -3.172 1.00 64.03 C ATOM 1178 O ARG A 77 -6.506 -31.788 -3.129 1.00 31.21 O ATOM 1179 CB ARG A 77 -8.999 -33.127 -2.043 1.00 34.31 C ATOM 1180 CG ARG A 77 -9.995 -33.953 -1.235 1.00 65.13 C ATOM 1181 CD ARG A 77 -10.150 -35.365 -1.795 1.00 35.21 C ATOM 1182 NE ARG A 77 -11.422 -35.971 -1.398 1.00 33.43 N ATOM 1183 CZ ARG A 77 -11.683 -37.277 -1.451 1.00 44.12 C ATOM 1184 NH1 ARG A 77 -10.729 -38.147 -1.761 1.00 60.03 N ATOM 1185 NH2 ARG A 77 -12.898 -37.720 -1.165 1.00 24.22 N ATOM 0 H ARG A 77 -6.325 -32.413 -0.831 1.00 42.15 H new ATOM 0 HA ARG A 77 -7.554 -34.713 -2.104 1.00 24.23 H new ATOM 0 HB2 ARG A 77 -9.019 -32.102 -1.672 1.00 34.31 H new ATOM 0 HB3 ARG A 77 -9.336 -33.097 -3.079 1.00 34.31 H new ATOM 0 HG2 ARG A 77 -9.664 -34.008 -0.198 1.00 65.13 H new ATOM 0 HG3 ARG A 77 -10.964 -33.454 -1.234 1.00 65.13 H new ATOM 0 HD2 ARG A 77 -10.086 -35.334 -2.883 1.00 35.21 H new ATOM 0 HD3 ARG A 77 -9.326 -35.987 -1.445 1.00 35.21 H new ATOM 0 HE ARG A 77 -12.158 -35.352 -1.058 1.00 33.43 H new ATOM 0 HH11 ARG A 77 -9.785 -37.818 -1.962 1.00 60.03 H new ATOM 0 HH12 ARG A 77 -10.941 -39.144 -1.798 1.00 60.03 H new ATOM 0 HH21 ARG A 77 -13.633 -37.062 -0.905 1.00 24.22 H new ATOM 0 HH22 ARG A 77 -13.099 -38.719 -1.205 1.00 24.22 H new ATOM 1199 N GLU A 78 -6.472 -33.768 -4.196 1.00 43.11 N ATOM 1200 CA GLU A 78 -5.820 -33.231 -5.386 1.00 10.22 C ATOM 1201 C GLU A 78 -6.744 -32.222 -6.064 1.00 23.31 C ATOM 1202 O GLU A 78 -6.289 -31.249 -6.674 1.00 30.35 O ATOM 1203 CB GLU A 78 -5.429 -34.362 -6.344 1.00 42.54 C ATOM 1204 CG GLU A 78 -4.361 -35.292 -5.771 1.00 21.42 C ATOM 1205 CD GLU A 78 -3.951 -36.397 -6.732 1.00 43.31 C ATOM 1206 OE1 GLU A 78 -3.438 -36.080 -7.824 1.00 3.12 O ATOM 1207 OE2 GLU A 78 -4.136 -37.587 -6.401 1.00 24.35 O ATOM 0 H GLU A 78 -6.652 -34.772 -4.227 1.00 43.11 H new ATOM 0 HA GLU A 78 -4.903 -32.719 -5.094 1.00 10.22 H new ATOM 0 HB2 GLU A 78 -6.317 -34.945 -6.589 1.00 42.54 H new ATOM 0 HB3 GLU A 78 -5.064 -33.930 -7.276 1.00 42.54 H new ATOM 0 HG2 GLU A 78 -3.482 -34.705 -5.506 1.00 21.42 H new ATOM 0 HG3 GLU A 78 -4.735 -35.740 -4.850 1.00 21.42 H new ATOM 1214 N GLU A 79 -8.045 -32.455 -5.920 1.00 61.41 N ATOM 1215 CA GLU A 79 -9.061 -31.529 -6.395 1.00 62.11 C ATOM 1216 C GLU A 79 -8.912 -30.172 -5.705 1.00 42.33 C ATOM 1217 O GLU A 79 -8.948 -29.128 -6.356 1.00 30.53 O ATOM 1218 CB GLU A 79 -10.444 -32.116 -6.119 1.00 33.44 C ATOM 1219 CG GLU A 79 -10.710 -33.423 -6.859 1.00 54.04 C ATOM 1220 CD GLU A 79 -11.885 -34.195 -6.283 1.00 23.55 C ATOM 1221 OE1 GLU A 79 -13.030 -33.979 -6.731 1.00 35.35 O ATOM 1222 OE2 GLU A 79 -11.659 -35.031 -5.377 1.00 35.41 O ATOM 0 H GLU A 79 -8.421 -33.290 -5.471 1.00 61.41 H new ATOM 0 HA GLU A 79 -8.939 -31.379 -7.468 1.00 62.11 H new ATOM 0 HB2 GLU A 79 -10.550 -32.286 -5.048 1.00 33.44 H new ATOM 0 HB3 GLU A 79 -11.203 -31.386 -6.403 1.00 33.44 H new ATOM 0 HG2 GLU A 79 -10.902 -33.208 -7.910 1.00 54.04 H new ATOM 0 HG3 GLU A 79 -9.817 -34.046 -6.819 1.00 54.04 H new ATOM 1229 N ASP A 80 -8.736 -30.196 -4.382 1.00 22.20 N ATOM 1230 CA ASP A 80 -8.536 -28.967 -3.613 1.00 23.21 C ATOM 1231 C ASP A 80 -7.216 -28.309 -3.998 1.00 50.24 C ATOM 1232 O ASP A 80 -7.121 -27.085 -4.065 1.00 21.13 O ATOM 1233 CB ASP A 80 -8.554 -29.233 -2.096 1.00 4.30 C ATOM 1234 CG ASP A 80 -9.952 -29.437 -1.532 1.00 30.43 C ATOM 1235 OD1 ASP A 80 -10.823 -28.573 -1.757 1.00 34.04 O ATOM 1236 OD2 ASP A 80 -10.179 -30.443 -0.827 1.00 72.24 O ATOM 0 H ASP A 80 -8.728 -31.049 -3.823 1.00 22.20 H new ATOM 0 HA ASP A 80 -9.363 -28.298 -3.851 1.00 23.21 H new ATOM 0 HB2 ASP A 80 -7.952 -30.117 -1.883 1.00 4.30 H new ATOM 0 HB3 ASP A 80 -8.082 -28.395 -1.583 1.00 4.30 H new ATOM 1241 N ILE A 81 -6.204 -29.133 -4.257 1.00 52.33 N ATOM 1242 CA ILE A 81 -4.883 -28.637 -4.637 1.00 75.11 C ATOM 1243 C ILE A 81 -4.958 -27.833 -5.935 1.00 23.01 C ATOM 1244 O ILE A 81 -4.421 -26.722 -6.026 1.00 54.32 O ATOM 1245 CB ILE A 81 -3.858 -29.796 -4.785 1.00 63.24 C ATOM 1246 CG1 ILE A 81 -3.682 -30.517 -3.436 1.00 42.25 C ATOM 1247 CG2 ILE A 81 -2.514 -29.275 -5.304 1.00 1.12 C ATOM 1248 CD1 ILE A 81 -2.762 -31.718 -3.487 1.00 11.21 C ATOM 0 H ILE A 81 -6.273 -30.150 -4.211 1.00 52.33 H new ATOM 0 HA ILE A 81 -4.539 -27.982 -3.836 1.00 75.11 H new ATOM 0 HB ILE A 81 -4.241 -30.509 -5.515 1.00 63.24 H new ATOM 0 HG12 ILE A 81 -3.293 -29.807 -2.706 1.00 42.25 H new ATOM 0 HG13 ILE A 81 -4.660 -30.838 -3.079 1.00 42.25 H new ATOM 0 HG21 ILE A 81 -1.814 -30.105 -5.399 1.00 1.12 H new ATOM 0 HG22 ILE A 81 -2.657 -28.808 -6.278 1.00 1.12 H new ATOM 0 HG23 ILE A 81 -2.114 -28.541 -4.605 1.00 1.12 H new ATOM 0 HD11 ILE A 81 -2.694 -32.167 -2.496 1.00 11.21 H new ATOM 0 HD12 ILE A 81 -3.158 -32.450 -4.190 1.00 11.21 H new ATOM 0 HD13 ILE A 81 -1.770 -31.403 -3.812 1.00 11.21 H new ATOM 1260 N GLU A 82 -5.641 -28.378 -6.933 1.00 20.30 N ATOM 1261 CA GLU A 82 -5.792 -27.678 -8.200 1.00 13.24 C ATOM 1262 C GLU A 82 -6.781 -26.518 -8.057 1.00 5.44 C ATOM 1263 O GLU A 82 -6.620 -25.471 -8.690 1.00 1.51 O ATOM 1264 CB GLU A 82 -6.206 -28.636 -9.325 1.00 73.20 C ATOM 1265 CG GLU A 82 -7.547 -29.326 -9.123 1.00 75.31 C ATOM 1266 CD GLU A 82 -7.865 -30.288 -10.253 1.00 75.42 C ATOM 1267 OE1 GLU A 82 -8.386 -29.836 -11.295 1.00 14.40 O ATOM 1268 OE2 GLU A 82 -7.573 -31.495 -10.118 1.00 2.33 O ATOM 0 H GLU A 82 -6.094 -29.291 -6.891 1.00 20.30 H new ATOM 0 HA GLU A 82 -4.823 -27.263 -8.476 1.00 13.24 H new ATOM 0 HB2 GLU A 82 -6.239 -28.080 -10.262 1.00 73.20 H new ATOM 0 HB3 GLU A 82 -5.435 -29.399 -9.434 1.00 73.20 H new ATOM 0 HG2 GLU A 82 -7.538 -29.868 -8.177 1.00 75.31 H new ATOM 0 HG3 GLU A 82 -8.334 -28.576 -9.053 1.00 75.31 H new ATOM 1275 N ARG A 83 -7.773 -26.698 -7.187 1.00 62.13 N ATOM 1276 CA ARG A 83 -8.765 -25.662 -6.910 1.00 64.02 C ATOM 1277 C ARG A 83 -8.082 -24.426 -6.320 1.00 23.45 C ATOM 1278 O ARG A 83 -8.363 -23.295 -6.720 1.00 51.11 O ATOM 1279 CB ARG A 83 -9.839 -26.209 -5.950 1.00 1.04 C ATOM 1280 CG ARG A 83 -11.097 -25.345 -5.801 1.00 32.11 C ATOM 1281 CD ARG A 83 -10.911 -24.153 -4.853 1.00 70.23 C ATOM 1282 NE ARG A 83 -10.395 -24.541 -3.529 1.00 52.13 N ATOM 1283 CZ ARG A 83 -10.946 -25.457 -2.726 1.00 13.14 C ATOM 1284 NH1 ARG A 83 -12.068 -26.080 -3.071 1.00 14.02 N ATOM 1285 NH2 ARG A 83 -10.383 -25.726 -1.556 1.00 32.14 N ATOM 0 H ARG A 83 -7.911 -27.559 -6.658 1.00 62.13 H new ATOM 0 HA ARG A 83 -9.252 -25.370 -7.841 1.00 64.02 H new ATOM 0 HB2 ARG A 83 -10.139 -27.199 -6.295 1.00 1.04 H new ATOM 0 HB3 ARG A 83 -9.389 -26.337 -4.965 1.00 1.04 H new ATOM 0 HG2 ARG A 83 -11.393 -24.976 -6.783 1.00 32.11 H new ATOM 0 HG3 ARG A 83 -11.914 -25.967 -5.435 1.00 32.11 H new ATOM 0 HD2 ARG A 83 -10.225 -23.438 -5.308 1.00 70.23 H new ATOM 0 HD3 ARG A 83 -11.866 -23.643 -4.729 1.00 70.23 H new ATOM 0 HE ARG A 83 -9.551 -24.074 -3.199 1.00 52.13 H new ATOM 0 HH11 ARG A 83 -12.520 -25.862 -3.959 1.00 14.02 H new ATOM 0 HH12 ARG A 83 -12.477 -26.777 -2.448 1.00 14.02 H new ATOM 0 HH21 ARG A 83 -9.535 -25.235 -1.273 1.00 32.14 H new ATOM 0 HH22 ARG A 83 -10.798 -26.424 -0.939 1.00 32.14 H new ATOM 1299 N VAL A 84 -7.178 -24.651 -5.371 1.00 60.34 N ATOM 1300 CA VAL A 84 -6.476 -23.557 -4.720 1.00 41.51 C ATOM 1301 C VAL A 84 -5.436 -22.946 -5.661 1.00 42.42 C ATOM 1302 O VAL A 84 -5.356 -21.726 -5.783 1.00 71.31 O ATOM 1303 CB VAL A 84 -5.819 -23.997 -3.380 1.00 4.13 C ATOM 1304 CG1 VAL A 84 -4.672 -24.978 -3.596 1.00 3.32 C ATOM 1305 CG2 VAL A 84 -5.357 -22.780 -2.581 1.00 65.02 C ATOM 0 H VAL A 84 -6.917 -25.579 -5.039 1.00 60.34 H new ATOM 0 HA VAL A 84 -7.217 -22.795 -4.478 1.00 41.51 H new ATOM 0 HB VAL A 84 -6.580 -24.522 -2.803 1.00 4.13 H new ATOM 0 HG11 VAL A 84 -4.245 -25.256 -2.633 1.00 3.32 H new ATOM 0 HG12 VAL A 84 -5.046 -25.870 -4.098 1.00 3.32 H new ATOM 0 HG13 VAL A 84 -3.904 -24.510 -4.212 1.00 3.32 H new ATOM 0 HG21 VAL A 84 -4.900 -23.109 -1.648 1.00 65.02 H new ATOM 0 HG22 VAL A 84 -4.627 -22.218 -3.164 1.00 65.02 H new ATOM 0 HG23 VAL A 84 -6.213 -22.143 -2.361 1.00 65.02 H new ATOM 1315 N ARG A 85 -4.663 -23.789 -6.351 1.00 32.12 N ATOM 1316 CA ARG A 85 -3.631 -23.304 -7.273 1.00 63.21 C ATOM 1317 C ARG A 85 -4.241 -22.397 -8.349 1.00 31.04 C ATOM 1318 O ARG A 85 -3.674 -21.358 -8.674 1.00 74.34 O ATOM 1319 CB ARG A 85 -2.859 -24.468 -7.929 1.00 13.42 C ATOM 1320 CG ARG A 85 -3.590 -25.138 -9.090 1.00 50.13 C ATOM 1321 CD ARG A 85 -2.794 -26.284 -9.707 1.00 12.03 C ATOM 1322 NE ARG A 85 -3.556 -26.948 -10.767 1.00 64.53 N ATOM 1323 CZ ARG A 85 -3.151 -28.033 -11.427 1.00 65.33 C ATOM 1324 NH1 ARG A 85 -1.968 -28.575 -11.170 1.00 14.52 N ATOM 1325 NH2 ARG A 85 -3.940 -28.575 -12.350 1.00 44.23 N ATOM 0 H ARG A 85 -4.731 -24.805 -6.290 1.00 32.12 H new ATOM 0 HA ARG A 85 -2.922 -22.721 -6.685 1.00 63.21 H new ATOM 0 HB2 ARG A 85 -1.900 -24.095 -8.287 1.00 13.42 H new ATOM 0 HB3 ARG A 85 -2.645 -25.219 -7.169 1.00 13.42 H new ATOM 0 HG2 ARG A 85 -4.550 -25.516 -8.739 1.00 50.13 H new ATOM 0 HG3 ARG A 85 -3.802 -24.394 -9.858 1.00 50.13 H new ATOM 0 HD2 ARG A 85 -1.857 -25.902 -10.113 1.00 12.03 H new ATOM 0 HD3 ARG A 85 -2.535 -27.008 -8.934 1.00 12.03 H new ATOM 0 HE ARG A 85 -4.462 -26.552 -11.018 1.00 64.53 H new ATOM 0 HH11 ARG A 85 -1.360 -28.162 -10.463 1.00 14.52 H new ATOM 0 HH12 ARG A 85 -1.666 -29.405 -11.680 1.00 14.52 H new ATOM 0 HH21 ARG A 85 -4.850 -28.160 -12.550 1.00 44.23 H new ATOM 0 HH22 ARG A 85 -3.635 -29.405 -12.858 1.00 44.23 H new ATOM 1339 N ARG A 86 -5.403 -22.782 -8.889 1.00 54.02 N ATOM 1340 CA ARG A 86 -6.069 -21.964 -9.910 1.00 61.13 C ATOM 1341 C ARG A 86 -6.629 -20.690 -9.281 1.00 43.24 C ATOM 1342 O ARG A 86 -6.544 -19.610 -9.865 1.00 52.32 O ATOM 1343 CB ARG A 86 -7.177 -22.748 -10.636 1.00 71.32 C ATOM 1344 CG ARG A 86 -8.339 -23.175 -9.746 1.00 70.13 C ATOM 1345 CD ARG A 86 -9.426 -23.900 -10.532 1.00 34.11 C ATOM 1346 NE ARG A 86 -10.133 -23.005 -11.454 1.00 1.42 N ATOM 1347 CZ ARG A 86 -10.928 -23.416 -12.442 1.00 31.40 C ATOM 1348 NH1 ARG A 86 -11.081 -24.710 -12.693 1.00 20.14 N ATOM 1349 NH2 ARG A 86 -11.559 -22.528 -13.194 1.00 54.51 N ATOM 0 H ARG A 86 -5.895 -23.640 -8.642 1.00 54.02 H new ATOM 0 HA ARG A 86 -5.325 -21.691 -10.658 1.00 61.13 H new ATOM 0 HB2 ARG A 86 -7.565 -22.134 -11.449 1.00 71.32 H new ATOM 0 HB3 ARG A 86 -6.738 -23.637 -11.089 1.00 71.32 H new ATOM 0 HG2 ARG A 86 -7.969 -23.826 -8.954 1.00 70.13 H new ATOM 0 HG3 ARG A 86 -8.766 -22.297 -9.262 1.00 70.13 H new ATOM 0 HD2 ARG A 86 -8.980 -24.720 -11.095 1.00 34.11 H new ATOM 0 HD3 ARG A 86 -10.141 -24.342 -9.838 1.00 34.11 H new ATOM 0 HE ARG A 86 -10.008 -22.000 -11.331 1.00 1.42 H new ATOM 0 HH11 ARG A 86 -10.588 -25.401 -12.128 1.00 20.14 H new ATOM 0 HH12 ARG A 86 -11.692 -25.014 -13.451 1.00 20.14 H new ATOM 0 HH21 ARG A 86 -11.437 -21.531 -13.017 1.00 54.51 H new ATOM 0 HH22 ARG A 86 -12.168 -22.841 -13.950 1.00 54.51 H new ATOM 1363 N HIS A 87 -7.180 -20.824 -8.074 1.00 53.04 N ATOM 1364 CA HIS A 87 -7.660 -19.675 -7.303 1.00 5.31 C ATOM 1365 C HIS A 87 -6.523 -18.665 -7.138 1.00 35.45 C ATOM 1366 O HIS A 87 -6.723 -17.457 -7.225 1.00 13.34 O ATOM 1367 CB HIS A 87 -8.171 -20.153 -5.928 1.00 31.33 C ATOM 1368 CG HIS A 87 -8.749 -19.087 -5.037 1.00 1.11 C ATOM 1369 ND1 HIS A 87 -8.890 -17.748 -5.203 1.00 60.25 N flip ATOM 1370 CD2 HIS A 87 -9.271 -19.365 -3.789 1.00 1.45 C flip ATOM 1371 CE1 HIS A 87 -9.481 -17.256 -4.067 1.00 50.53 C flip ATOM 1372 NE2 HIS A 87 -9.702 -18.251 -3.233 1.00 10.01 N flip ATOM 0 H HIS A 87 -7.306 -21.722 -7.607 1.00 53.04 H new ATOM 0 HA HIS A 87 -8.483 -19.192 -7.829 1.00 5.31 H new ATOM 0 HB2 HIS A 87 -8.932 -20.917 -6.090 1.00 31.33 H new ATOM 0 HB3 HIS A 87 -7.346 -20.632 -5.401 1.00 31.33 H new ATOM 0 HD1 HIS A 87 -8.609 -17.207 -6.021 1.00 60.25 H new ATOM 0 HD2 HIS A 87 -9.319 -20.345 -3.338 1.00 1.45 H new ATOM 0 HE1 HIS A 87 -9.726 -16.220 -3.886 1.00 50.53 H new ATOM 1381 N LEU A 88 -5.330 -19.185 -6.902 1.00 42.33 N ATOM 1382 CA LEU A 88 -4.120 -18.378 -6.769 1.00 61.31 C ATOM 1383 C LEU A 88 -3.640 -17.870 -8.133 1.00 10.22 C ATOM 1384 O LEU A 88 -3.153 -16.736 -8.254 1.00 2.44 O ATOM 1385 CB LEU A 88 -3.038 -19.207 -6.069 1.00 25.40 C ATOM 1386 CG LEU A 88 -3.116 -19.235 -4.528 1.00 72.03 C ATOM 1387 CD1 LEU A 88 -2.515 -17.961 -3.935 1.00 20.14 C ATOM 1388 CD2 LEU A 88 -4.557 -19.395 -4.046 1.00 1.22 C ATOM 0 H LEU A 88 -5.169 -20.187 -6.796 1.00 42.33 H new ATOM 0 HA LEU A 88 -4.340 -17.498 -6.164 1.00 61.31 H new ATOM 0 HB2 LEU A 88 -3.095 -20.231 -6.437 1.00 25.40 H new ATOM 0 HB3 LEU A 88 -2.062 -18.818 -6.359 1.00 25.40 H new ATOM 0 HG LEU A 88 -2.540 -20.096 -4.188 1.00 72.03 H new ATOM 0 HD11 LEU A 88 -2.580 -18.000 -2.848 1.00 20.14 H new ATOM 0 HD12 LEU A 88 -1.470 -17.878 -4.234 1.00 20.14 H new ATOM 0 HD13 LEU A 88 -3.066 -17.094 -4.300 1.00 20.14 H new ATOM 0 HD21 LEU A 88 -4.577 -19.411 -2.956 1.00 1.22 H new ATOM 0 HD22 LEU A 88 -5.156 -18.559 -4.407 1.00 1.22 H new ATOM 0 HD23 LEU A 88 -4.968 -20.329 -4.430 1.00 1.22 H new ATOM 1400 N ALA A 89 -3.799 -18.707 -9.154 1.00 50.41 N ATOM 1401 CA ALA A 89 -3.391 -18.369 -10.516 1.00 61.34 C ATOM 1402 C ALA A 89 -4.161 -17.157 -11.024 1.00 73.12 C ATOM 1403 O ALA A 89 -3.736 -16.491 -11.970 1.00 14.30 O ATOM 1404 CB ALA A 89 -3.592 -19.563 -11.443 1.00 24.15 C ATOM 0 H ALA A 89 -4.212 -19.635 -9.063 1.00 50.41 H new ATOM 0 HA ALA A 89 -2.331 -18.116 -10.505 1.00 61.34 H new ATOM 0 HB1 ALA A 89 -3.284 -19.295 -12.454 1.00 24.15 H new ATOM 0 HB2 ALA A 89 -2.992 -20.402 -11.091 1.00 24.15 H new ATOM 0 HB3 ALA A 89 -4.644 -19.847 -11.448 1.00 24.15 H new ATOM 1410 N LEU A 90 -5.304 -16.886 -10.398 1.00 4.52 N ATOM 1411 CA LEU A 90 -6.081 -15.687 -10.698 1.00 63.34 C ATOM 1412 C LEU A 90 -5.230 -14.440 -10.470 1.00 72.14 C ATOM 1413 O LEU A 90 -5.235 -13.510 -11.282 1.00 72.44 O ATOM 1414 CB LEU A 90 -7.341 -15.629 -9.825 1.00 43.21 C ATOM 1415 CG LEU A 90 -8.353 -16.768 -10.044 1.00 31.03 C ATOM 1416 CD1 LEU A 90 -9.553 -16.615 -9.113 1.00 12.54 C ATOM 1417 CD2 LEU A 90 -8.799 -16.820 -11.504 1.00 12.44 C ATOM 0 H LEU A 90 -5.713 -17.482 -9.678 1.00 4.52 H new ATOM 0 HA LEU A 90 -6.385 -15.725 -11.744 1.00 63.34 H new ATOM 0 HB2 LEU A 90 -7.037 -15.633 -8.778 1.00 43.21 H new ATOM 0 HB3 LEU A 90 -7.844 -14.679 -10.007 1.00 43.21 H new ATOM 0 HG LEU A 90 -7.861 -17.711 -9.806 1.00 31.03 H new ATOM 0 HD11 LEU A 90 -10.254 -17.431 -9.286 1.00 12.54 H new ATOM 0 HD12 LEU A 90 -9.215 -16.640 -8.077 1.00 12.54 H new ATOM 0 HD13 LEU A 90 -10.048 -15.664 -9.310 1.00 12.54 H new ATOM 0 HD21 LEU A 90 -9.514 -17.632 -11.637 1.00 12.44 H new ATOM 0 HD22 LEU A 90 -9.269 -15.874 -11.775 1.00 12.44 H new ATOM 0 HD23 LEU A 90 -7.933 -16.991 -12.143 1.00 12.44 H new ATOM 1429 N GLN A 91 -4.493 -14.438 -9.362 1.00 52.33 N ATOM 1430 CA GLN A 91 -3.582 -13.342 -9.039 1.00 44.25 C ATOM 1431 C GLN A 91 -2.295 -13.491 -9.842 1.00 0.14 C ATOM 1432 O GLN A 91 -1.716 -12.503 -10.296 1.00 24.43 O ATOM 1433 CB GLN A 91 -3.267 -13.303 -7.531 1.00 40.32 C ATOM 1434 CG GLN A 91 -4.457 -12.927 -6.649 1.00 12.45 C ATOM 1435 CD GLN A 91 -5.558 -13.974 -6.636 1.00 74.20 C ATOM 1436 OE1 GLN A 91 -5.176 -15.243 -6.699 1.00 23.24 O flip ATOM 1437 NE2 GLN A 91 -6.741 -13.650 -6.537 1.00 3.21 N flip ATOM 0 H GLN A 91 -4.509 -15.187 -8.670 1.00 52.33 H new ATOM 0 HA GLN A 91 -4.068 -12.403 -9.303 1.00 44.25 H new ATOM 0 HB2 GLN A 91 -2.897 -14.281 -7.224 1.00 40.32 H new ATOM 0 HB3 GLN A 91 -2.462 -12.589 -7.358 1.00 40.32 H new ATOM 0 HG2 GLN A 91 -4.107 -12.767 -5.629 1.00 12.45 H new ATOM 0 HG3 GLN A 91 -4.871 -11.980 -6.996 1.00 12.45 H new ATOM 0 HE21 GLN A 91 -6.998 -12.664 -6.491 1.00 3.21 H new ATOM 0 HE22 GLN A 91 -7.465 -14.368 -6.501 1.00 3.21 H new ATOM 1446 N GLY A 92 -1.859 -14.736 -10.020 1.00 11.13 N ATOM 1447 CA GLY A 92 -0.661 -15.000 -10.799 1.00 34.23 C ATOM 1448 C GLY A 92 -0.042 -16.341 -10.468 1.00 75.14 C ATOM 1449 O GLY A 92 -0.555 -17.068 -9.616 1.00 41.34 O ATOM 0 H GLY A 92 -2.314 -15.566 -9.639 1.00 11.13 H new ATOM 0 HA2 GLY A 92 -0.907 -14.968 -11.860 1.00 34.23 H new ATOM 0 HA3 GLY A 92 0.069 -14.211 -10.617 1.00 34.23 H new ATOM 1453 N TRP A 93 1.059 -16.669 -11.140 1.00 61.24 N ATOM 1454 CA TRP A 93 1.756 -17.933 -10.912 1.00 33.44 C ATOM 1455 C TRP A 93 3.274 -17.719 -10.935 1.00 44.25 C ATOM 1456 O TRP A 93 3.935 -18.003 -11.935 1.00 71.23 O ATOM 1457 CB TRP A 93 1.341 -18.963 -11.973 1.00 43.23 C ATOM 1458 CG TRP A 93 1.813 -20.359 -11.687 1.00 30.43 C ATOM 1459 CD1 TRP A 93 2.908 -20.991 -12.212 1.00 31.35 C ATOM 1460 CD2 TRP A 93 1.194 -21.299 -10.808 1.00 22.14 C ATOM 1461 NE1 TRP A 93 2.999 -22.267 -11.712 1.00 14.44 N ATOM 1462 CE2 TRP A 93 1.958 -22.480 -10.850 1.00 25.43 C ATOM 1463 CE3 TRP A 93 0.062 -21.255 -9.992 1.00 50.15 C ATOM 1464 CZ2 TRP A 93 1.624 -23.607 -10.104 1.00 43.01 C ATOM 1465 CZ3 TRP A 93 -0.269 -22.370 -9.253 1.00 15.35 C ATOM 1466 CH2 TRP A 93 0.511 -23.535 -9.311 1.00 55.20 C ATOM 0 H TRP A 93 1.489 -16.075 -11.849 1.00 61.24 H new ATOM 0 HA TRP A 93 1.479 -18.314 -9.929 1.00 33.44 H new ATOM 0 HB2 TRP A 93 0.254 -18.968 -12.054 1.00 43.23 H new ATOM 0 HB3 TRP A 93 1.732 -18.650 -12.941 1.00 43.23 H new ATOM 0 HD1 TRP A 93 3.599 -20.551 -12.916 1.00 31.35 H new ATOM 0 HE1 TRP A 93 3.724 -22.945 -11.945 1.00 14.44 H new ATOM 0 HE3 TRP A 93 -0.544 -20.362 -9.941 1.00 50.15 H new ATOM 0 HZ2 TRP A 93 2.222 -24.505 -10.149 1.00 43.01 H new ATOM 0 HZ3 TRP A 93 -1.143 -22.347 -8.619 1.00 15.35 H new ATOM 0 HH2 TRP A 93 0.227 -24.392 -8.718 1.00 55.20 H new ATOM 1477 N PRO A 94 3.847 -17.185 -9.839 1.00 44.24 N ATOM 1478 CA PRO A 94 5.296 -16.954 -9.736 1.00 44.31 C ATOM 1479 C PRO A 94 6.073 -18.268 -9.634 1.00 13.14 C ATOM 1480 O PRO A 94 7.252 -18.337 -9.982 1.00 65.31 O ATOM 1481 CB PRO A 94 5.448 -16.121 -8.444 1.00 70.01 C ATOM 1482 CG PRO A 94 4.063 -15.690 -8.081 1.00 24.04 C ATOM 1483 CD PRO A 94 3.144 -16.747 -8.624 1.00 52.13 C ATOM 0 HA PRO A 94 5.696 -16.450 -10.616 1.00 44.31 H new ATOM 0 HB2 PRO A 94 5.897 -16.713 -7.646 1.00 70.01 H new ATOM 0 HB3 PRO A 94 6.097 -15.260 -8.606 1.00 70.01 H new ATOM 0 HG2 PRO A 94 3.954 -15.596 -7.000 1.00 24.04 H new ATOM 0 HG3 PRO A 94 3.833 -14.715 -8.510 1.00 24.04 H new ATOM 0 HD2 PRO A 94 3.005 -17.566 -7.918 1.00 52.13 H new ATOM 0 HD3 PRO A 94 2.155 -16.348 -8.849 1.00 52.13 H new ATOM 1491 N LEU A 95 5.382 -19.317 -9.190 1.00 20.13 N ATOM 1492 CA LEU A 95 5.985 -20.640 -8.994 1.00 2.45 C ATOM 1493 C LEU A 95 6.552 -21.209 -10.296 1.00 23.05 C ATOM 1494 O LEU A 95 7.238 -22.234 -10.281 1.00 42.11 O ATOM 1495 CB LEU A 95 4.957 -21.618 -8.393 1.00 12.24 C ATOM 1496 CG LEU A 95 4.910 -21.666 -6.858 1.00 45.14 C ATOM 1497 CD1 LEU A 95 4.646 -20.287 -6.258 1.00 71.12 C ATOM 1498 CD2 LEU A 95 3.861 -22.670 -6.383 1.00 44.11 C ATOM 0 H LEU A 95 4.390 -19.277 -8.956 1.00 20.13 H new ATOM 0 HA LEU A 95 6.814 -20.517 -8.297 1.00 2.45 H new ATOM 0 HB2 LEU A 95 3.967 -21.349 -8.761 1.00 12.24 H new ATOM 0 HB3 LEU A 95 5.174 -22.620 -8.764 1.00 12.24 H new ATOM 0 HG LEU A 95 5.889 -21.994 -6.509 1.00 45.14 H new ATOM 0 HD11 LEU A 95 4.620 -20.362 -5.171 1.00 71.12 H new ATOM 0 HD12 LEU A 95 5.440 -19.603 -6.555 1.00 71.12 H new ATOM 0 HD13 LEU A 95 3.689 -19.910 -6.619 1.00 71.12 H new ATOM 0 HD21 LEU A 95 3.843 -22.689 -5.293 1.00 44.11 H new ATOM 0 HD22 LEU A 95 2.880 -22.376 -6.757 1.00 44.11 H new ATOM 0 HD23 LEU A 95 4.110 -23.662 -6.759 1.00 44.11 H new ATOM 1510 N ASP A 96 6.259 -20.554 -11.415 1.00 4.21 N ATOM 1511 CA ASP A 96 6.776 -20.983 -12.710 1.00 41.33 C ATOM 1512 C ASP A 96 8.302 -20.928 -12.732 1.00 64.42 C ATOM 1513 O ASP A 96 8.953 -21.805 -13.307 1.00 63.40 O ATOM 1514 CB ASP A 96 6.205 -20.122 -13.846 1.00 13.44 C ATOM 1515 CG ASP A 96 6.722 -20.552 -15.214 1.00 10.32 C ATOM 1516 OD1 ASP A 96 6.161 -21.503 -15.795 1.00 32.34 O ATOM 1517 OD2 ASP A 96 7.700 -19.948 -15.709 1.00 52.41 O ATOM 0 H ASP A 96 5.667 -19.724 -11.451 1.00 4.21 H new ATOM 0 HA ASP A 96 6.460 -22.015 -12.865 1.00 41.33 H new ATOM 0 HB2 ASP A 96 5.117 -20.185 -13.835 1.00 13.44 H new ATOM 0 HB3 ASP A 96 6.465 -19.078 -13.673 1.00 13.44 H new ATOM 1522 N ASP A 97 8.870 -19.911 -12.084 1.00 25.14 N ATOM 1523 CA ASP A 97 10.316 -19.690 -12.127 1.00 42.42 C ATOM 1524 C ASP A 97 10.767 -18.722 -11.030 1.00 63.11 C ATOM 1525 O ASP A 97 10.259 -17.602 -10.938 1.00 10.23 O ATOM 1526 CB ASP A 97 10.710 -19.137 -13.503 1.00 35.12 C ATOM 1527 CG ASP A 97 12.200 -18.867 -13.632 1.00 13.01 C ATOM 1528 OD1 ASP A 97 12.988 -19.837 -13.604 1.00 24.13 O ATOM 1529 OD2 ASP A 97 12.582 -17.691 -13.806 1.00 25.30 O ATOM 0 H ASP A 97 8.355 -19.230 -11.526 1.00 25.14 H new ATOM 0 HA ASP A 97 10.812 -20.645 -11.956 1.00 42.42 H new ATOM 0 HB2 ASP A 97 10.407 -19.846 -14.273 1.00 35.12 H new ATOM 0 HB3 ASP A 97 10.162 -18.213 -13.687 1.00 35.12 H new ATOM 1534 N PRO A 98 11.722 -19.149 -10.172 1.00 61.44 N ATOM 1535 CA PRO A 98 12.297 -18.288 -9.128 1.00 22.22 C ATOM 1536 C PRO A 98 12.869 -16.995 -9.710 1.00 64.45 C ATOM 1537 O PRO A 98 13.515 -17.010 -10.755 1.00 40.33 O ATOM 1538 CB PRO A 98 13.413 -19.151 -8.516 1.00 75.31 C ATOM 1539 CG PRO A 98 13.015 -20.555 -8.818 1.00 75.22 C ATOM 1540 CD PRO A 98 12.307 -20.504 -10.147 1.00 2.44 C ATOM 0 HA PRO A 98 11.551 -17.971 -8.399 1.00 22.22 H new ATOM 0 HB2 PRO A 98 14.383 -18.912 -8.952 1.00 75.31 H new ATOM 0 HB3 PRO A 98 13.497 -18.986 -7.442 1.00 75.31 H new ATOM 0 HG2 PRO A 98 13.887 -21.207 -8.864 1.00 75.22 H new ATOM 0 HG3 PRO A 98 12.361 -20.952 -8.041 1.00 75.22 H new ATOM 0 HD2 PRO A 98 12.997 -20.659 -10.976 1.00 2.44 H new ATOM 0 HD3 PRO A 98 11.540 -21.274 -10.223 1.00 2.44 H new ATOM 1548 N ARG A 99 12.626 -15.876 -9.034 1.00 2.21 N ATOM 1549 CA ARG A 99 13.071 -14.576 -9.530 1.00 74.20 C ATOM 1550 C ARG A 99 14.572 -14.386 -9.352 1.00 12.43 C ATOM 1551 O ARG A 99 15.209 -13.692 -10.148 1.00 11.52 O ATOM 1552 CB ARG A 99 12.286 -13.441 -8.869 1.00 55.11 C ATOM 1553 CG ARG A 99 10.808 -13.400 -9.271 1.00 55.34 C ATOM 1554 CD ARG A 99 10.607 -13.135 -10.771 1.00 0.14 C ATOM 1555 NE ARG A 99 11.129 -14.216 -11.621 1.00 74.25 N ATOM 1556 CZ ARG A 99 11.737 -14.018 -12.797 1.00 14.31 C ATOM 1557 NH1 ARG A 99 11.831 -12.795 -13.302 1.00 71.15 N ATOM 1558 NH2 ARG A 99 12.241 -15.043 -13.476 1.00 34.22 N ATOM 0 H ARG A 99 12.126 -15.842 -8.146 1.00 2.21 H new ATOM 0 HA ARG A 99 12.869 -14.548 -10.601 1.00 74.20 H new ATOM 0 HB2 ARG A 99 12.356 -13.545 -7.786 1.00 55.11 H new ATOM 0 HB3 ARG A 99 12.751 -12.490 -9.129 1.00 55.11 H new ATOM 0 HG2 ARG A 99 10.338 -14.348 -9.008 1.00 55.34 H new ATOM 0 HG3 ARG A 99 10.302 -12.623 -8.698 1.00 55.34 H new ATOM 0 HD2 ARG A 99 9.544 -13.004 -10.972 1.00 0.14 H new ATOM 0 HD3 ARG A 99 11.100 -12.200 -11.038 1.00 0.14 H new ATOM 0 HE ARG A 99 11.021 -15.176 -11.294 1.00 74.25 H new ATOM 0 HH11 ARG A 99 11.439 -12.002 -12.794 1.00 71.15 H new ATOM 0 HH12 ARG A 99 12.295 -12.648 -14.198 1.00 71.15 H new ATOM 0 HH21 ARG A 99 12.166 -15.989 -13.102 1.00 34.22 H new ATOM 0 HH22 ARG A 99 12.703 -14.884 -14.371 1.00 34.22 H new ATOM 1572 N ASP A 100 15.131 -15.005 -8.318 1.00 34.03 N ATOM 1573 CA ASP A 100 16.574 -14.963 -8.083 1.00 4.54 C ATOM 1574 C ASP A 100 16.960 -15.973 -7.002 1.00 5.05 C ATOM 1575 O ASP A 100 16.308 -16.044 -5.954 1.00 4.23 O ATOM 1576 CB ASP A 100 17.016 -13.549 -7.675 1.00 74.24 C ATOM 1577 CG ASP A 100 18.529 -13.408 -7.614 1.00 41.42 C ATOM 1578 OD1 ASP A 100 19.159 -13.226 -8.683 1.00 53.41 O ATOM 1579 OD2 ASP A 100 19.093 -13.468 -6.506 1.00 64.40 O ATOM 0 H ASP A 100 14.608 -15.543 -7.627 1.00 34.03 H new ATOM 0 HA ASP A 100 17.084 -15.227 -9.010 1.00 4.54 H new ATOM 0 HB2 ASP A 100 16.615 -12.827 -8.386 1.00 74.24 H new ATOM 0 HB3 ASP A 100 16.592 -13.306 -6.701 1.00 74.24 H new ATOM 1584 N GLY A 101 18.000 -16.765 -7.268 1.00 74.34 N ATOM 1585 CA GLY A 101 18.451 -17.765 -6.314 1.00 25.12 C ATOM 1586 C GLY A 101 19.420 -18.764 -6.927 1.00 52.40 C ATOM 1587 O GLY A 101 19.259 -19.975 -6.765 1.00 71.02 O ATOM 0 H GLY A 101 18.540 -16.730 -8.133 1.00 74.34 H new ATOM 0 HA2 GLY A 101 18.932 -17.267 -5.472 1.00 25.12 H new ATOM 0 HA3 GLY A 101 17.587 -18.299 -5.917 1.00 25.12 H new ATOM 1591 N GLU A 102 20.417 -18.251 -7.646 1.00 61.22 N ATOM 1592 CA GLU A 102 21.459 -19.088 -8.244 1.00 32.33 C ATOM 1593 C GLU A 102 22.737 -19.029 -7.404 1.00 51.53 C ATOM 1594 O GLU A 102 23.094 -17.969 -6.895 1.00 60.02 O ATOM 1595 CB GLU A 102 21.760 -18.624 -9.679 1.00 34.42 C ATOM 1596 CG GLU A 102 20.611 -18.848 -10.659 1.00 13.32 C ATOM 1597 CD GLU A 102 20.315 -20.321 -10.895 1.00 54.40 C ATOM 1598 OE1 GLU A 102 20.939 -20.921 -11.792 1.00 20.04 O ATOM 1599 OE2 GLU A 102 19.460 -20.887 -10.180 1.00 2.40 O ATOM 0 H GLU A 102 20.526 -17.254 -7.830 1.00 61.22 H new ATOM 0 HA GLU A 102 21.099 -20.117 -8.271 1.00 32.33 H new ATOM 0 HB2 GLU A 102 22.008 -17.563 -9.662 1.00 34.42 H new ATOM 0 HB3 GLU A 102 22.642 -19.151 -10.043 1.00 34.42 H new ATOM 0 HG2 GLU A 102 19.715 -18.359 -10.278 1.00 13.32 H new ATOM 0 HG3 GLU A 102 20.853 -18.374 -11.610 1.00 13.32 H new ATOM 1606 N GLU A 103 23.402 -20.175 -7.254 1.00 70.30 N ATOM 1607 CA GLU A 103 24.701 -20.253 -6.576 1.00 12.44 C ATOM 1608 C GLU A 103 25.638 -21.180 -7.352 1.00 42.42 C ATOM 1609 O GLU A 103 25.201 -22.218 -7.853 1.00 71.41 O ATOM 1610 CB GLU A 103 24.552 -20.791 -5.144 1.00 24.55 C ATOM 1611 CG GLU A 103 23.799 -19.872 -4.192 1.00 24.21 C ATOM 1612 CD GLU A 103 23.709 -20.453 -2.790 1.00 42.24 C ATOM 1613 OE1 GLU A 103 22.762 -21.226 -2.525 1.00 42.02 O ATOM 1614 OE2 GLU A 103 24.587 -20.152 -1.954 1.00 25.23 O ATOM 0 H GLU A 103 23.059 -21.073 -7.596 1.00 70.30 H new ATOM 0 HA GLU A 103 25.114 -19.245 -6.534 1.00 12.44 H new ATOM 0 HB2 GLU A 103 24.037 -21.751 -5.183 1.00 24.55 H new ATOM 0 HB3 GLU A 103 25.545 -20.978 -4.736 1.00 24.55 H new ATOM 0 HG2 GLU A 103 24.299 -18.904 -4.152 1.00 24.21 H new ATOM 0 HG3 GLU A 103 22.794 -19.696 -4.577 1.00 24.21 H new ATOM 1621 N PRO A 104 26.929 -20.817 -7.487 1.00 15.24 N ATOM 1622 CA PRO A 104 27.935 -21.699 -8.093 1.00 63.11 C ATOM 1623 C PRO A 104 28.200 -22.909 -7.197 1.00 31.14 C ATOM 1624 O PRO A 104 28.190 -24.055 -7.655 1.00 73.41 O ATOM 1625 CB PRO A 104 29.193 -20.815 -8.210 1.00 43.14 C ATOM 1626 CG PRO A 104 28.715 -19.416 -7.974 1.00 23.44 C ATOM 1627 CD PRO A 104 27.513 -19.529 -7.081 1.00 13.25 C ATOM 0 HA PRO A 104 27.617 -22.098 -9.056 1.00 63.11 H new ATOM 0 HB2 PRO A 104 29.946 -21.103 -7.476 1.00 43.14 H new ATOM 0 HB3 PRO A 104 29.653 -20.913 -9.193 1.00 43.14 H new ATOM 0 HG2 PRO A 104 29.493 -18.813 -7.506 1.00 23.44 H new ATOM 0 HG3 PRO A 104 28.457 -18.929 -8.914 1.00 23.44 H new ATOM 0 HD2 PRO A 104 27.790 -19.524 -6.027 1.00 13.25 H new ATOM 0 HD3 PRO A 104 26.817 -18.703 -7.232 1.00 13.25 H new ATOM 1635 N ASP A 105 28.427 -22.624 -5.916 1.00 4.41 N ATOM 1636 CA ASP A 105 28.631 -23.648 -4.894 1.00 54.35 C ATOM 1637 C ASP A 105 28.714 -22.988 -3.521 1.00 44.21 C ATOM 1638 O ASP A 105 29.293 -21.908 -3.386 1.00 12.41 O ATOM 1639 CB ASP A 105 29.912 -24.456 -5.158 1.00 3.32 C ATOM 1640 CG ASP A 105 30.093 -25.583 -4.156 1.00 1.22 C ATOM 1641 OD1 ASP A 105 29.378 -26.602 -4.274 1.00 52.25 O ATOM 1642 OD2 ASP A 105 30.933 -25.458 -3.239 1.00 55.20 O ATOM 0 H ASP A 105 28.475 -21.671 -5.556 1.00 4.41 H new ATOM 0 HA ASP A 105 27.785 -24.335 -4.926 1.00 54.35 H new ATOM 0 HB2 ASP A 105 29.878 -24.870 -6.166 1.00 3.32 H new ATOM 0 HB3 ASP A 105 30.775 -23.791 -5.115 1.00 3.32 H new ATOM 1647 N GLY A 106 28.118 -23.620 -2.513 1.00 62.13 N ATOM 1648 CA GLY A 106 28.152 -23.086 -1.166 1.00 11.31 C ATOM 1649 C GLY A 106 26.766 -22.988 -0.575 1.00 65.20 C ATOM 1650 O GLY A 106 25.864 -23.731 -0.971 1.00 31.24 O ATOM 0 H GLY A 106 27.609 -24.499 -2.609 1.00 62.13 H new ATOM 0 HA2 GLY A 106 28.773 -23.723 -0.536 1.00 11.31 H new ATOM 0 HA3 GLY A 106 28.615 -22.099 -1.176 1.00 11.31 H new ATOM 1654 N GLU A 107 26.597 -22.086 0.380 1.00 23.42 N ATOM 1655 CA GLU A 107 25.300 -21.863 1.009 1.00 2.20 C ATOM 1656 C GLU A 107 25.081 -20.368 1.248 1.00 40.21 C ATOM 1657 O GLU A 107 24.135 -19.960 1.930 1.00 12.10 O ATOM 1658 CB GLU A 107 25.227 -22.642 2.326 1.00 33.32 C ATOM 1659 CG GLU A 107 26.232 -22.171 3.374 1.00 33.22 C ATOM 1660 CD GLU A 107 26.116 -22.928 4.686 1.00 63.21 C ATOM 1661 OE1 GLU A 107 25.252 -22.564 5.512 1.00 44.23 O ATOM 1662 OE2 GLU A 107 26.893 -23.885 4.900 1.00 2.52 O ATOM 0 H GLU A 107 27.345 -21.493 0.739 1.00 23.42 H new ATOM 0 HA GLU A 107 24.510 -22.220 0.348 1.00 2.20 H new ATOM 0 HB2 GLU A 107 24.221 -22.553 2.735 1.00 33.32 H new ATOM 0 HB3 GLU A 107 25.396 -23.699 2.122 1.00 33.32 H new ATOM 0 HG2 GLU A 107 27.242 -22.289 2.981 1.00 33.22 H new ATOM 0 HG3 GLU A 107 26.084 -21.107 3.560 1.00 33.22 H new ATOM 1669 N SER A 108 25.964 -19.565 0.659 1.00 21.32 N ATOM 1670 CA SER A 108 25.948 -18.113 0.820 1.00 31.33 C ATOM 1671 C SER A 108 26.658 -17.454 -0.365 1.00 60.00 C ATOM 1672 O SER A 108 27.281 -16.396 -0.227 1.00 11.30 O ATOM 1673 CB SER A 108 26.639 -17.729 2.135 1.00 12.23 C ATOM 1674 OG SER A 108 26.006 -18.339 3.252 1.00 51.11 O ATOM 0 H SER A 108 26.713 -19.904 0.055 1.00 21.32 H new ATOM 0 HA SER A 108 24.916 -17.764 0.851 1.00 31.33 H new ATOM 0 HB2 SER A 108 27.686 -18.030 2.099 1.00 12.23 H new ATOM 0 HB3 SER A 108 26.623 -16.646 2.253 1.00 12.23 H new ATOM 0 HG SER A 108 26.470 -18.077 4.074 1.00 51.11 H new ATOM 1680 N GLY A 109 26.541 -18.083 -1.532 1.00 11.40 N ATOM 1681 CA GLY A 109 27.216 -17.601 -2.724 1.00 74.12 C ATOM 1682 C GLY A 109 26.485 -16.442 -3.376 1.00 72.41 C ATOM 1683 O GLY A 109 26.124 -15.469 -2.703 1.00 14.04 O ATOM 0 H GLY A 109 25.985 -18.926 -1.673 1.00 11.40 H new ATOM 0 HA2 GLY A 109 28.227 -17.289 -2.464 1.00 74.12 H new ATOM 0 HA3 GLY A 109 27.309 -18.417 -3.440 1.00 74.12 H new ATOM 1687 N GLY A 110 26.276 -16.541 -4.682 1.00 13.43 N ATOM 1688 CA GLY A 110 25.591 -15.497 -5.419 1.00 33.40 C ATOM 1689 C GLY A 110 25.513 -15.820 -6.898 1.00 63.40 C ATOM 1690 O GLY A 110 25.555 -16.995 -7.265 1.00 25.54 O ATOM 0 H GLY A 110 26.572 -17.335 -5.249 1.00 13.43 H new ATOM 0 HA2 GLY A 110 24.585 -15.369 -5.020 1.00 33.40 H new ATOM 0 HA3 GLY A 110 26.112 -14.550 -5.279 1.00 33.40 H new ATOM 1694 N PRO A 111 25.411 -14.795 -7.768 1.00 53.01 N ATOM 1695 CA PRO A 111 25.313 -14.976 -9.224 1.00 61.42 C ATOM 1696 C PRO A 111 26.260 -16.053 -9.761 1.00 45.21 C ATOM 1697 O PRO A 111 27.477 -15.854 -9.828 1.00 22.42 O ATOM 1698 CB PRO A 111 25.693 -13.592 -9.763 1.00 10.14 C ATOM 1699 CG PRO A 111 25.200 -12.650 -8.716 1.00 0.34 C ATOM 1700 CD PRO A 111 25.380 -13.363 -7.398 1.00 40.33 C ATOM 0 HA PRO A 111 24.324 -15.318 -9.529 1.00 61.42 H new ATOM 0 HB2 PRO A 111 26.770 -13.501 -9.907 1.00 10.14 H new ATOM 0 HB3 PRO A 111 25.225 -13.397 -10.728 1.00 10.14 H new ATOM 0 HG2 PRO A 111 25.762 -11.717 -8.735 1.00 0.34 H new ATOM 0 HG3 PRO A 111 24.153 -12.395 -8.882 1.00 0.34 H new ATOM 0 HD2 PRO A 111 26.302 -13.059 -6.902 1.00 40.33 H new ATOM 0 HD3 PRO A 111 24.562 -13.146 -6.711 1.00 40.33 H new ATOM 1708 N ARG A 112 25.677 -17.198 -10.112 1.00 2.23 N ATOM 1709 CA ARG A 112 26.423 -18.325 -10.666 1.00 23.43 C ATOM 1710 C ARG A 112 27.130 -17.918 -11.959 1.00 64.04 C ATOM 1711 O ARG A 112 26.431 -17.589 -12.940 1.00 53.13 O ATOM 1712 CB ARG A 112 25.474 -19.507 -10.922 1.00 24.42 C ATOM 1713 CG ARG A 112 26.140 -20.709 -11.588 1.00 72.30 C ATOM 1714 CD ARG A 112 25.155 -21.855 -11.796 1.00 52.41 C ATOM 1715 NE ARG A 112 24.647 -22.377 -10.525 1.00 62.15 N ATOM 1716 CZ ARG A 112 23.596 -23.191 -10.408 1.00 31.24 C ATOM 1717 NH1 ARG A 112 22.913 -23.563 -11.485 1.00 32.13 N ATOM 1718 NH2 ARG A 112 23.230 -23.630 -9.210 1.00 30.31 N ATOM 1719 OXT ARG A 112 28.377 -17.934 -11.994 1.00 0.00 O ATOM 0 H ARG A 112 24.676 -17.370 -10.020 1.00 2.23 H new ATOM 0 HA ARG A 112 27.181 -18.631 -9.945 1.00 23.43 H new ATOM 0 HB2 ARG A 112 25.042 -19.824 -9.973 1.00 24.42 H new ATOM 0 HB3 ARG A 112 24.650 -19.168 -11.550 1.00 24.42 H new ATOM 0 HG2 ARG A 112 26.557 -20.408 -12.549 1.00 72.30 H new ATOM 0 HG3 ARG A 112 26.972 -21.051 -10.973 1.00 72.30 H new ATOM 0 HD2 ARG A 112 24.320 -21.510 -12.406 1.00 52.41 H new ATOM 0 HD3 ARG A 112 25.643 -22.658 -12.349 1.00 52.41 H new ATOM 0 HE ARG A 112 25.130 -22.099 -9.671 1.00 62.15 H new ATOM 0 HH11 ARG A 112 23.191 -23.226 -12.407 1.00 32.13 H new ATOM 0 HH12 ARG A 112 22.110 -24.185 -11.390 1.00 32.13 H new ATOM 0 HH21 ARG A 112 23.752 -23.345 -8.381 1.00 30.31 H new ATOM 0 HH22 ARG A 112 22.427 -24.252 -9.118 1.00 30.31 H new TER 1733 ARG A 112