USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 698 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 68 LYS NZ :NH3+ -157:sc= 1.12 (180deg=0) USER MOD Set 1.2: A 113 GLN : amide:sc= -0.212 K(o=0.91,f=-9.4!) USER MOD Set 2.1: A 105 MET CE :methyl 141:sc= -0.146 (180deg=-0.71) USER MOD Set 2.2: A 109 GLN : amide:sc= -0.0471 K(o=-0.19,f=-0.8) USER MOD Set 3.1: A 35 HIS : no HE2:sc= -0.675 K(o=-1.3,f=-2.6!) USER MOD Set 3.2: A 55 HIS : no HD1:sc= -0.578 K(o=-1.3,f=-4.6) USER MOD Set 3.3: A 99 MET CE :methyl 173:sc= 0 (180deg=0) USER MOD Set 3.4: A 102 LYS NZ :NH3+ -122:sc= 0 (180deg=0) USER MOD Set 4.1: A 84 LYS NZ :NH3+ -159:sc= 1.24 (180deg=0) USER MOD Set 4.2: A 88 GLN : amide:sc= 0.707 K(o=1.9,f=-7.9!) USER MOD Set 5.1: A 37 THR OG1 : rot -151:sc= 0.902 USER MOD Set 5.2: A 85 GLN : amide:sc= -1.46! C(o=-0.56!,f=-4.4!) USER MOD Set 6.1: A 30 ASN :FLIP amide:sc= 0 X(o=-0.26,f=-0.25) USER MOD Set 6.2: A 33 GLN :FLIP amide:sc= -0.254 F(o=-3!,f=-0.25) USER MOD Single : A 4 THR OG1 : rot 150:sc= 1.03 USER MOD Single : A 5 LYS NZ :NH3+ -155:sc= -0.954 (180deg=-2.19!) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 28 GLN : amide:sc= -0.73 K(o=-0.73,f=-2.8!) USER MOD Single : A 31 HIS : no HD1:sc= -0.0473 X(o=-0.047,f=-0.00051) USER MOD Single : A 34 MET CE :methyl 154:sc= 0 (180deg=-0.782) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0.00977 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.0461 X(o=-0.046,f=-0.047) USER MOD Single : A 64 GLN : amide:sc= -2.74! C(o=-2.7!,f=-3.3!) USER MOD Single : A 69 GLN :FLIP amide:sc= 0 F(o=-0.8,f=0) USER MOD Single : A 71 GLN : amide:sc= -0.932 K(o=-0.93,f=-2.7) USER MOD Single : A 76 LYS NZ :NH3+ 166:sc= 1.2 (180deg=0.566) USER MOD Single : A 77 GLN : amide:sc= -1.56! X(o=-1.6!,f=-1.2) USER MOD Single : A 81 GLN : amide:sc= -3.94! C(o=-3.9!,f=-4.5!) USER MOD Single : A 83 GLN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : A 87 GLN :FLIP amide:sc=-0.00301 F(o=-1.9,f=-0.003) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 GLN :FLIP amide:sc= -0.665 F(o=-1.4,f=-0.67) USER MOD Single : A 94 GLN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : A 95 GLN : amide:sc= -0.987 X(o=-0.99,f=-0.52) USER MOD Single : A 97 GLN : amide:sc=-0.00408 K(o=-0.0041,f=-1.3) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ -149:sc= 0.944 (180deg=0.385) USER MOD Single : A 104 GLN : amide:sc= -0.584 K(o=-0.58,f=-4.3!) USER MOD Single : A 108 ASN : amide:sc= -0.132 K(o=-0.13,f=-2!) USER MOD Single : A 111 ASN : amide:sc= -0.0296 K(o=-0.03,f=-0.56) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 34 N CYS A 3 -7.653 -2.584 9.113 1.00 0.00 N ATOM 35 CA CYS A 3 -9.006 -2.769 9.527 1.00 0.00 C ATOM 36 C CYS A 3 -9.591 -1.422 9.736 1.00 0.00 C ATOM 37 O CYS A 3 -8.866 -0.453 9.991 1.00 0.00 O ATOM 38 CB CYS A 3 -9.090 -3.575 10.821 1.00 0.00 C ATOM 39 SG CYS A 3 -10.651 -4.456 11.083 1.00 0.00 S ATOM 0 HA CYS A 3 -9.551 -3.326 8.764 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -8.276 -4.300 10.832 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -8.927 -2.900 11.661 1.00 0.00 H new ATOM 44 N THR A 4 -10.852 -1.336 9.600 1.00 0.00 N ATOM 45 CA THR A 4 -11.531 -0.092 9.791 1.00 0.00 C ATOM 46 C THR A 4 -11.658 0.176 11.280 1.00 0.00 C ATOM 47 O THR A 4 -11.716 -0.773 12.090 1.00 0.00 O ATOM 48 CB THR A 4 -12.926 -0.089 9.125 1.00 0.00 C ATOM 49 OG1 THR A 4 -13.728 -1.153 9.653 1.00 0.00 O ATOM 50 CG2 THR A 4 -12.809 -0.253 7.617 1.00 0.00 C ATOM 0 H THR A 4 -11.458 -2.119 9.353 1.00 0.00 H new ATOM 0 HA THR A 4 -10.948 0.697 9.316 1.00 0.00 H new ATOM 0 HB THR A 4 -13.398 0.869 9.341 1.00 0.00 H new ATOM 0 HG1 THR A 4 -14.673 -0.893 9.630 1.00 0.00 H new ATOM 0 HG21 THR A 4 -13.804 -0.248 7.172 1.00 0.00 H new ATOM 0 HG22 THR A 4 -12.223 0.569 7.206 1.00 0.00 H new ATOM 0 HG23 THR A 4 -12.316 -1.198 7.391 1.00 0.00 H new ATOM 58 N LYS A 5 -11.667 1.418 11.672 1.00 0.00 N ATOM 59 CA LYS A 5 -11.814 1.714 13.067 1.00 0.00 C ATOM 60 C LYS A 5 -13.274 1.905 13.394 1.00 0.00 C ATOM 61 O LYS A 5 -13.754 3.020 13.588 1.00 0.00 O ATOM 62 CB LYS A 5 -10.937 2.896 13.560 1.00 0.00 C ATOM 63 CG LYS A 5 -9.412 2.647 13.524 1.00 0.00 C ATOM 64 CD LYS A 5 -8.794 2.628 12.112 1.00 0.00 C ATOM 65 CE LYS A 5 -8.557 4.035 11.515 1.00 0.00 C ATOM 66 NZ LYS A 5 -9.790 4.822 11.284 1.00 0.00 N ATOM 0 H LYS A 5 -11.576 2.228 11.058 1.00 0.00 H new ATOM 0 HA LYS A 5 -11.435 0.855 13.620 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -11.160 3.771 12.950 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.225 3.138 14.583 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.918 3.421 14.111 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -9.202 1.694 14.010 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.844 2.094 12.148 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.450 2.067 11.446 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -7.905 4.595 12.185 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.026 3.929 10.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -9.620 5.522 10.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.559 4.185 10.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.058 5.313 12.161 1.00 0.00 H new ATOM 80 N SER A 6 -13.985 0.806 13.367 1.00 0.00 N ATOM 81 CA SER A 6 -15.389 0.792 13.620 1.00 0.00 C ATOM 82 C SER A 6 -15.692 -0.484 14.373 1.00 0.00 C ATOM 83 O SER A 6 -14.804 -1.331 14.513 1.00 0.00 O ATOM 84 CB SER A 6 -16.152 0.844 12.284 1.00 0.00 C ATOM 85 OG SER A 6 -17.554 0.993 12.472 1.00 0.00 O ATOM 0 H SER A 6 -13.592 -0.113 13.165 1.00 0.00 H new ATOM 0 HA SER A 6 -15.700 1.654 14.210 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.777 1.674 11.685 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.958 -0.069 11.721 1.00 0.00 H new ATOM 0 HG SER A 6 -18.000 1.023 11.600 1.00 0.00 H new ATOM 91 N ILE A 7 -16.877 -0.601 14.914 1.00 0.00 N ATOM 92 CA ILE A 7 -17.267 -1.789 15.646 1.00 0.00 C ATOM 93 C ILE A 7 -18.624 -2.306 15.135 1.00 0.00 C ATOM 94 O ILE A 7 -19.635 -1.611 15.267 1.00 0.00 O ATOM 95 CB ILE A 7 -17.304 -1.526 17.183 1.00 0.00 C ATOM 96 CG1 ILE A 7 -15.908 -1.078 17.657 1.00 0.00 C ATOM 97 CG2 ILE A 7 -17.744 -2.784 17.935 1.00 0.00 C ATOM 98 CD1 ILE A 7 -15.820 -0.704 19.111 1.00 0.00 C ATOM 0 H ILE A 7 -17.599 0.118 14.863 1.00 0.00 H new ATOM 0 HA ILE A 7 -16.516 -2.560 15.471 1.00 0.00 H new ATOM 0 HB ILE A 7 -18.027 -0.738 17.393 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -15.199 -1.882 17.461 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -15.594 -0.223 17.058 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -17.763 -2.580 19.006 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -18.740 -3.076 17.603 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -17.042 -3.593 17.733 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -14.800 -0.403 19.348 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -16.499 0.124 19.316 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -16.097 -1.561 19.725 1.00 0.00 H new ATOM 110 N PRO A 8 -18.678 -3.517 14.531 1.00 0.00 N ATOM 111 CA PRO A 8 -17.511 -4.383 14.330 1.00 0.00 C ATOM 112 C PRO A 8 -16.601 -3.870 13.201 1.00 0.00 C ATOM 113 O PRO A 8 -17.083 -3.261 12.227 1.00 0.00 O ATOM 114 CB PRO A 8 -18.133 -5.727 13.948 1.00 0.00 C ATOM 115 CG PRO A 8 -19.429 -5.381 13.316 1.00 0.00 C ATOM 116 CD PRO A 8 -19.907 -4.128 13.990 1.00 0.00 C ATOM 0 HA PRO A 8 -16.874 -4.430 15.213 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -17.492 -6.278 13.259 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -18.277 -6.359 14.824 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -19.309 -5.224 12.244 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -20.150 -6.189 13.441 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -20.406 -3.462 13.286 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -20.623 -4.350 14.781 1.00 0.00 H new ATOM 124 N PRO A 9 -15.289 -4.070 13.331 1.00 0.00 N ATOM 125 CA PRO A 9 -14.329 -3.595 12.350 1.00 0.00 C ATOM 126 C PRO A 9 -14.283 -4.467 11.096 1.00 0.00 C ATOM 127 O PRO A 9 -14.595 -5.665 11.132 1.00 0.00 O ATOM 128 CB PRO A 9 -13.010 -3.649 13.111 1.00 0.00 C ATOM 129 CG PRO A 9 -13.171 -4.778 14.058 1.00 0.00 C ATOM 130 CD PRO A 9 -14.622 -4.770 14.460 1.00 0.00 C ATOM 0 HA PRO A 9 -14.579 -2.603 11.973 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -12.170 -3.814 12.437 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -12.817 -2.714 13.638 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -12.900 -5.724 13.589 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.524 -4.656 14.926 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -15.008 -5.781 14.590 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -14.775 -4.246 15.404 1.00 0.00 H new ATOM 138 N ILE A 10 -13.915 -3.867 10.004 1.00 0.00 N ATOM 139 CA ILE A 10 -13.837 -4.539 8.730 1.00 0.00 C ATOM 140 C ILE A 10 -12.382 -4.660 8.407 1.00 0.00 C ATOM 141 O ILE A 10 -11.711 -3.650 8.187 1.00 0.00 O ATOM 142 CB ILE A 10 -14.527 -3.697 7.627 1.00 0.00 C ATOM 143 CG1 ILE A 10 -15.933 -3.269 8.078 1.00 0.00 C ATOM 144 CG2 ILE A 10 -14.589 -4.470 6.310 1.00 0.00 C ATOM 145 CD1 ILE A 10 -16.863 -4.416 8.389 1.00 0.00 C ATOM 0 H ILE A 10 -13.655 -2.881 9.967 1.00 0.00 H new ATOM 0 HA ILE A 10 -14.332 -5.509 8.777 1.00 0.00 H new ATOM 0 HB ILE A 10 -13.933 -2.799 7.460 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -15.842 -2.641 8.964 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -16.381 -2.655 7.297 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -15.078 -3.858 5.552 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -13.578 -4.714 5.983 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -15.156 -5.390 6.454 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -17.832 -4.025 8.699 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -16.989 -5.034 7.500 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -16.441 -5.019 9.193 1.00 0.00 H new ATOM 157 N CYS A 11 -11.872 -5.847 8.416 1.00 0.00 N ATOM 158 CA CYS A 11 -10.462 -6.016 8.256 1.00 0.00 C ATOM 159 C CYS A 11 -10.122 -6.502 6.860 1.00 0.00 C ATOM 160 O CYS A 11 -10.923 -7.173 6.193 1.00 0.00 O ATOM 161 CB CYS A 11 -9.883 -6.947 9.337 1.00 0.00 C ATOM 162 SG CYS A 11 -10.158 -6.438 11.102 1.00 0.00 S ATOM 0 H CYS A 11 -12.404 -6.710 8.531 1.00 0.00 H new ATOM 0 HA CYS A 11 -9.994 -5.040 8.385 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -10.311 -7.940 9.197 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -8.809 -7.037 9.171 1.00 0.00 H new ATOM 310 N CYS A 22 3.101 -9.861 -1.441 1.00 0.00 N ATOM 311 CA CYS A 22 4.401 -9.386 -1.126 1.00 0.00 C ATOM 312 C CYS A 22 4.477 -8.806 0.256 1.00 0.00 C ATOM 313 O CYS A 22 3.626 -7.999 0.658 1.00 0.00 O ATOM 314 CB CYS A 22 4.818 -8.363 -2.139 1.00 0.00 C ATOM 315 SG CYS A 22 5.215 -9.053 -3.762 1.00 0.00 S ATOM 0 HA CYS A 22 5.081 -10.237 -1.153 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.017 -7.632 -2.253 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.688 -7.826 -1.761 1.00 0.00 H new ATOM 320 N GLN A 23 5.473 -9.213 0.985 1.00 0.00 N ATOM 321 CA GLN A 23 5.701 -8.693 2.286 1.00 0.00 C ATOM 322 C GLN A 23 6.909 -7.772 2.251 1.00 0.00 C ATOM 323 O GLN A 23 8.062 -8.203 2.148 1.00 0.00 O ATOM 324 CB GLN A 23 5.836 -9.809 3.331 1.00 0.00 C ATOM 325 CG GLN A 23 6.984 -10.775 3.099 1.00 0.00 C ATOM 326 CD GLN A 23 7.043 -11.880 4.133 1.00 0.00 C ATOM 327 OE1 GLN A 23 6.012 -12.322 4.661 1.00 0.00 O ATOM 328 NE2 GLN A 23 8.232 -12.310 4.453 1.00 0.00 N ATOM 0 H GLN A 23 6.148 -9.917 0.687 1.00 0.00 H new ATOM 0 HA GLN A 23 4.835 -8.109 2.596 1.00 0.00 H new ATOM 0 HB2 GLN A 23 5.959 -9.352 4.313 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.905 -10.375 3.357 1.00 0.00 H new ATOM 0 HG2 GLN A 23 6.885 -11.217 2.108 1.00 0.00 H new ATOM 0 HG3 GLN A 23 7.924 -10.223 3.110 1.00 0.00 H new ATOM 0 HE21 GLN A 23 9.056 -11.920 3.995 1.00 0.00 H new ATOM 0 HE22 GLN A 23 8.338 -13.036 5.161 1.00 0.00 H new ATOM 337 N ILE A 24 6.645 -6.520 2.238 1.00 0.00 N ATOM 338 CA ILE A 24 7.695 -5.548 2.232 1.00 0.00 C ATOM 339 C ILE A 24 7.699 -4.909 3.590 1.00 0.00 C ATOM 340 O ILE A 24 6.622 -4.564 4.106 1.00 0.00 O ATOM 341 CB ILE A 24 7.524 -4.428 1.142 1.00 0.00 C ATOM 342 CG1 ILE A 24 7.190 -4.994 -0.247 1.00 0.00 C ATOM 343 CG2 ILE A 24 8.784 -3.592 1.036 1.00 0.00 C ATOM 344 CD1 ILE A 24 5.734 -5.323 -0.453 1.00 0.00 C ATOM 0 H ILE A 24 5.702 -6.131 2.231 1.00 0.00 H new ATOM 0 HA ILE A 24 8.628 -6.058 1.992 1.00 0.00 H new ATOM 0 HB ILE A 24 6.685 -3.813 1.468 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.497 -4.272 -1.003 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.780 -5.896 -0.410 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.647 -2.822 0.277 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.990 -3.121 1.997 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.622 -4.231 0.758 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.589 -5.716 -1.459 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.423 -6.070 0.277 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.136 -4.421 -0.326 1.00 0.00 H new ATOM 356 N ARG A 25 8.865 -4.792 4.193 1.00 0.00 N ATOM 357 CA ARG A 25 8.965 -4.195 5.488 1.00 0.00 C ATOM 358 C ARG A 25 8.634 -2.731 5.391 1.00 0.00 C ATOM 359 O ARG A 25 9.344 -1.947 4.770 1.00 0.00 O ATOM 360 CB ARG A 25 10.337 -4.452 6.141 1.00 0.00 C ATOM 361 CG ARG A 25 11.543 -3.908 5.402 1.00 0.00 C ATOM 362 CD ARG A 25 12.825 -4.453 5.993 1.00 0.00 C ATOM 363 NE ARG A 25 14.014 -3.948 5.297 1.00 0.00 N ATOM 364 CZ ARG A 25 14.688 -4.615 4.339 1.00 0.00 C ATOM 365 NH1 ARG A 25 14.217 -5.765 3.857 1.00 0.00 N ATOM 366 NH2 ARG A 25 15.812 -4.109 3.849 1.00 0.00 N ATOM 0 H ARG A 25 9.751 -5.106 3.798 1.00 0.00 H new ATOM 0 HA ARG A 25 8.238 -4.666 6.150 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.326 -4.021 7.142 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.464 -5.528 6.259 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.480 -4.176 4.347 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.547 -2.819 5.454 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.881 -4.183 7.047 1.00 0.00 H new ATOM 0 HD3 ARG A 25 12.812 -5.542 5.943 1.00 0.00 H new ATOM 0 HE ARG A 25 14.356 -3.023 5.558 1.00 0.00 H new ATOM 0 HH11 ARG A 25 13.341 -6.146 4.213 1.00 0.00 H new ATOM 0 HH12 ARG A 25 14.733 -6.264 3.132 1.00 0.00 H new ATOM 0 HH21 ARG A 25 16.164 -3.217 4.197 1.00 0.00 H new ATOM 0 HH22 ARG A 25 16.324 -4.612 3.124 1.00 0.00 H new ATOM 380 N ILE A 26 7.555 -2.366 6.009 1.00 0.00 N ATOM 381 CA ILE A 26 7.032 -1.027 5.923 1.00 0.00 C ATOM 382 C ILE A 26 7.910 -0.001 6.598 1.00 0.00 C ATOM 383 O ILE A 26 7.714 1.201 6.438 1.00 0.00 O ATOM 384 CB ILE A 26 5.557 -0.947 6.397 1.00 0.00 C ATOM 385 CG1 ILE A 26 5.331 -1.497 7.838 1.00 0.00 C ATOM 386 CG2 ILE A 26 4.687 -1.692 5.416 1.00 0.00 C ATOM 387 CD1 ILE A 26 5.830 -0.616 8.972 1.00 0.00 C ATOM 0 H ILE A 26 7.002 -2.991 6.595 1.00 0.00 H new ATOM 0 HA ILE A 26 7.040 -0.768 4.864 1.00 0.00 H new ATOM 0 HB ILE A 26 5.288 0.109 6.434 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.263 -1.666 7.978 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.820 -2.468 7.916 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.648 -1.642 5.740 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.781 -1.239 4.429 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.002 -2.734 5.369 1.00 0.00 H new ATOM 0 HD11 ILE A 26 5.620 -1.098 9.927 1.00 0.00 H new ATOM 0 HD12 ILE A 26 6.905 -0.466 8.870 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.324 0.349 8.933 1.00 0.00 H new ATOM 399 N GLN A 27 8.889 -0.478 7.318 1.00 0.00 N ATOM 400 CA GLN A 27 9.806 0.374 8.007 1.00 0.00 C ATOM 401 C GLN A 27 10.817 0.942 7.016 1.00 0.00 C ATOM 402 O GLN A 27 11.415 1.980 7.264 1.00 0.00 O ATOM 403 CB GLN A 27 10.510 -0.392 9.126 1.00 0.00 C ATOM 404 CG GLN A 27 11.469 -1.468 8.638 1.00 0.00 C ATOM 405 CD GLN A 27 12.095 -2.261 9.760 1.00 0.00 C ATOM 406 OE1 GLN A 27 11.490 -2.468 10.810 1.00 0.00 O ATOM 407 NE2 GLN A 27 13.310 -2.690 9.561 1.00 0.00 N ATOM 0 H GLN A 27 9.070 -1.474 7.441 1.00 0.00 H new ATOM 0 HA GLN A 27 9.258 1.199 8.462 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.061 0.316 9.745 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.757 -0.855 9.764 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.934 -2.148 7.975 1.00 0.00 H new ATOM 0 HG3 GLN A 27 12.258 -1.002 8.047 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.780 -2.499 8.676 1.00 0.00 H new ATOM 0 HE22 GLN A 27 13.791 -3.217 10.290 1.00 0.00 H new ATOM 416 N GLN A 28 10.968 0.275 5.861 1.00 0.00 N ATOM 417 CA GLN A 28 11.917 0.737 4.864 1.00 0.00 C ATOM 418 C GLN A 28 11.278 1.861 4.052 1.00 0.00 C ATOM 419 O GLN A 28 11.960 2.669 3.436 1.00 0.00 O ATOM 420 CB GLN A 28 12.369 -0.404 3.930 1.00 0.00 C ATOM 421 CG GLN A 28 11.383 -0.751 2.826 1.00 0.00 C ATOM 422 CD GLN A 28 11.905 -1.770 1.847 1.00 0.00 C ATOM 423 OE1 GLN A 28 11.566 -1.736 0.686 1.00 0.00 O ATOM 424 NE2 GLN A 28 12.702 -2.698 2.310 1.00 0.00 N ATOM 0 H GLN A 28 10.452 -0.568 5.607 1.00 0.00 H new ATOM 0 HA GLN A 28 12.805 1.104 5.378 1.00 0.00 H new ATOM 0 HB2 GLN A 28 13.320 -0.127 3.475 1.00 0.00 H new ATOM 0 HB3 GLN A 28 12.550 -1.296 4.530 1.00 0.00 H new ATOM 0 HG2 GLN A 28 10.465 -1.129 3.276 1.00 0.00 H new ATOM 0 HG3 GLN A 28 11.121 0.159 2.285 1.00 0.00 H new ATOM 0 HE21 GLN A 28 12.968 -2.697 3.295 1.00 0.00 H new ATOM 0 HE22 GLN A 28 13.058 -3.423 1.686 1.00 0.00 H new ATOM 433 N LEU A 29 9.947 1.905 4.074 1.00 0.00 N ATOM 434 CA LEU A 29 9.220 2.936 3.342 1.00 0.00 C ATOM 435 C LEU A 29 9.009 4.143 4.167 1.00 0.00 C ATOM 436 O LEU A 29 8.507 5.156 3.664 1.00 0.00 O ATOM 437 CB LEU A 29 7.864 2.482 2.795 1.00 0.00 C ATOM 438 CG LEU A 29 7.873 1.448 1.687 1.00 0.00 C ATOM 439 CD1 LEU A 29 8.980 1.741 0.683 1.00 0.00 C ATOM 440 CD2 LEU A 29 7.936 0.045 2.237 1.00 0.00 C ATOM 0 H LEU A 29 9.358 1.247 4.584 1.00 0.00 H new ATOM 0 HA LEU A 29 9.862 3.162 2.490 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.282 2.082 3.625 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.335 3.363 2.430 1.00 0.00 H new ATOM 0 HG LEU A 29 6.929 1.517 1.147 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.967 0.986 -0.103 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.821 2.726 0.243 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.945 1.721 1.189 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.941 -0.669 1.413 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.845 -0.074 2.826 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.067 -0.137 2.870 1.00 0.00 H new ATOM 452 N ASN A 30 9.408 4.061 5.428 1.00 0.00 N ATOM 453 CA ASN A 30 9.232 5.159 6.359 1.00 0.00 C ATOM 454 C ASN A 30 9.876 6.425 5.827 1.00 0.00 C ATOM 455 O ASN A 30 9.340 7.501 6.021 1.00 0.00 O ATOM 456 CB ASN A 30 9.771 4.830 7.769 1.00 0.00 C ATOM 457 CG ASN A 30 9.425 5.913 8.802 1.00 0.00 C ATOM 458 OD1 ASN A 30 10.299 6.870 8.990 1.00 0.00 O flip ATOM 459 ND2 ASN A 30 8.370 5.864 9.439 1.00 0.00 N flip ATOM 0 H ASN A 30 9.858 3.238 5.829 1.00 0.00 H new ATOM 0 HA ASN A 30 8.158 5.321 6.455 1.00 0.00 H new ATOM 0 HB2 ASN A 30 9.360 3.875 8.097 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.853 4.711 7.721 1.00 0.00 H new ATOM 0 HD21 ASN A 30 7.708 5.107 9.271 1.00 0.00 H new ATOM 0 HD22 ASN A 30 8.160 6.581 10.133 1.00 0.00 H new ATOM 466 N HIS A 31 10.982 6.280 5.080 1.00 0.00 N ATOM 467 CA HIS A 31 11.679 7.440 4.541 1.00 0.00 C ATOM 468 C HIS A 31 10.794 8.127 3.521 1.00 0.00 C ATOM 469 O HIS A 31 10.491 9.303 3.665 1.00 0.00 O ATOM 470 CB HIS A 31 13.001 7.065 3.872 1.00 0.00 C ATOM 471 CG HIS A 31 13.984 8.195 3.848 1.00 0.00 C ATOM 472 ND1 HIS A 31 15.291 8.074 4.255 1.00 0.00 N ATOM 473 CD2 HIS A 31 13.832 9.485 3.447 1.00 0.00 C ATOM 474 CE1 HIS A 31 15.882 9.249 4.101 1.00 0.00 C ATOM 475 NE2 HIS A 31 15.037 10.153 3.610 1.00 0.00 N ATOM 0 H HIS A 31 11.402 5.381 4.843 1.00 0.00 H new ATOM 0 HA HIS A 31 11.902 8.103 5.377 1.00 0.00 H new ATOM 0 HB2 HIS A 31 13.441 6.218 4.399 1.00 0.00 H new ATOM 0 HB3 HIS A 31 12.806 6.738 2.851 1.00 0.00 H new ATOM 0 HD2 HIS A 31 12.921 9.920 3.064 1.00 0.00 H new ATOM 0 HE1 HIS A 31 16.916 9.448 4.342 1.00 0.00 H new ATOM 0 HE2 HIS A 31 15.234 11.131 3.398 1.00 0.00 H new ATOM 483 N CYS A 32 10.372 7.368 2.502 1.00 0.00 N ATOM 484 CA CYS A 32 9.498 7.875 1.452 1.00 0.00 C ATOM 485 C CYS A 32 8.254 8.487 2.072 1.00 0.00 C ATOM 486 O CYS A 32 7.929 9.631 1.810 1.00 0.00 O ATOM 487 CB CYS A 32 9.116 6.744 0.485 1.00 0.00 C ATOM 488 SG CYS A 32 9.775 6.915 -1.199 1.00 0.00 S ATOM 0 H CYS A 32 10.630 6.388 2.388 1.00 0.00 H new ATOM 0 HA CYS A 32 10.026 8.644 0.888 1.00 0.00 H new ATOM 0 HB2 CYS A 32 9.464 5.798 0.901 1.00 0.00 H new ATOM 0 HB3 CYS A 32 8.029 6.686 0.429 1.00 0.00 H new ATOM 493 N GLN A 33 7.617 7.724 2.943 1.00 0.00 N ATOM 494 CA GLN A 33 6.459 8.140 3.679 1.00 0.00 C ATOM 495 C GLN A 33 6.666 9.501 4.385 1.00 0.00 C ATOM 496 O GLN A 33 5.975 10.476 4.085 1.00 0.00 O ATOM 497 CB GLN A 33 6.149 7.082 4.720 1.00 0.00 C ATOM 498 CG GLN A 33 5.074 7.513 5.680 1.00 0.00 C ATOM 499 CD GLN A 33 4.969 6.668 6.944 1.00 0.00 C ATOM 500 OE1 GLN A 33 6.089 6.226 7.456 1.00 0.00 O flip ATOM 501 NE2 GLN A 33 3.889 6.481 7.496 1.00 0.00 N flip ATOM 0 H GLN A 33 7.909 6.770 3.157 1.00 0.00 H new ATOM 0 HA GLN A 33 5.635 8.261 2.975 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.838 6.165 4.219 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.056 6.849 5.277 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.256 8.549 5.966 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.114 7.489 5.163 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.032 6.837 7.073 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.849 5.969 8.377 1.00 0.00 H new ATOM 510 N MET A 34 7.648 9.563 5.282 1.00 0.00 N ATOM 511 CA MET A 34 7.844 10.752 6.109 1.00 0.00 C ATOM 512 C MET A 34 8.296 11.930 5.292 1.00 0.00 C ATOM 513 O MET A 34 7.901 13.048 5.551 1.00 0.00 O ATOM 514 CB MET A 34 8.819 10.512 7.281 1.00 0.00 C ATOM 515 CG MET A 34 10.288 10.298 6.909 1.00 0.00 C ATOM 516 SD MET A 34 11.336 9.995 8.355 1.00 0.00 S ATOM 517 CE MET A 34 12.945 9.830 7.583 1.00 0.00 C ATOM 0 H MET A 34 8.315 8.811 5.454 1.00 0.00 H new ATOM 0 HA MET A 34 6.868 10.979 6.537 1.00 0.00 H new ATOM 0 HB2 MET A 34 8.758 11.365 7.957 1.00 0.00 H new ATOM 0 HB3 MET A 34 8.477 9.640 7.838 1.00 0.00 H new ATOM 0 HG2 MET A 34 10.366 9.453 6.225 1.00 0.00 H new ATOM 0 HG3 MET A 34 10.655 11.175 6.376 1.00 0.00 H new ATOM 0 HE1 MET A 34 13.721 10.099 8.299 1.00 0.00 H new ATOM 0 HE2 MET A 34 13.090 8.799 7.261 1.00 0.00 H new ATOM 0 HE3 MET A 34 13.004 10.492 6.719 1.00 0.00 H new ATOM 527 N HIS A 35 9.088 11.668 4.296 1.00 0.00 N ATOM 528 CA HIS A 35 9.630 12.723 3.472 1.00 0.00 C ATOM 529 C HIS A 35 8.553 13.290 2.541 1.00 0.00 C ATOM 530 O HIS A 35 8.609 14.459 2.174 1.00 0.00 O ATOM 531 CB HIS A 35 10.814 12.215 2.651 1.00 0.00 C ATOM 532 CG HIS A 35 11.810 13.275 2.283 1.00 0.00 C ATOM 533 ND1 HIS A 35 11.488 14.572 1.925 1.00 0.00 N ATOM 534 CD2 HIS A 35 13.158 13.213 2.275 1.00 0.00 C ATOM 535 CE1 HIS A 35 12.627 15.242 1.717 1.00 0.00 C ATOM 536 NE2 HIS A 35 13.676 14.461 1.918 1.00 0.00 N ATOM 0 H HIS A 35 9.379 10.728 4.028 1.00 0.00 H new ATOM 0 HA HIS A 35 9.978 13.518 4.131 1.00 0.00 H new ATOM 0 HB2 HIS A 35 11.324 11.434 3.215 1.00 0.00 H new ATOM 0 HB3 HIS A 35 10.437 11.754 1.738 1.00 0.00 H new ATOM 0 HD1 HIS A 35 10.546 14.952 1.835 1.00 0.00 H new ATOM 0 HD2 HIS A 35 13.744 12.337 2.508 1.00 0.00 H new ATOM 0 HE1 HIS A 35 12.683 16.280 1.425 1.00 0.00 H new ATOM 544 N LEU A 36 7.597 12.457 2.148 1.00 0.00 N ATOM 545 CA LEU A 36 6.513 12.905 1.278 1.00 0.00 C ATOM 546 C LEU A 36 5.382 13.544 2.048 1.00 0.00 C ATOM 547 O LEU A 36 4.623 14.318 1.501 1.00 0.00 O ATOM 548 CB LEU A 36 5.981 11.783 0.392 1.00 0.00 C ATOM 549 CG LEU A 36 6.981 11.201 -0.608 1.00 0.00 C ATOM 550 CD1 LEU A 36 6.358 10.076 -1.393 1.00 0.00 C ATOM 551 CD2 LEU A 36 7.527 12.268 -1.544 1.00 0.00 C ATOM 0 H LEU A 36 7.549 11.474 2.415 1.00 0.00 H new ATOM 0 HA LEU A 36 6.950 13.667 0.632 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.624 10.977 1.033 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.119 12.158 -0.160 1.00 0.00 H new ATOM 0 HG LEU A 36 7.820 10.804 -0.037 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.087 9.677 -2.098 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.044 9.286 -0.710 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.492 10.450 -1.939 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.234 11.815 -2.239 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.706 12.717 -2.103 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.033 13.038 -0.962 1.00 0.00 H new ATOM 563 N THR A 37 5.231 13.208 3.299 1.00 0.00 N ATOM 564 CA THR A 37 4.230 13.887 4.066 1.00 0.00 C ATOM 565 C THR A 37 4.794 15.200 4.626 1.00 0.00 C ATOM 566 O THR A 37 4.057 16.076 5.082 1.00 0.00 O ATOM 567 CB THR A 37 3.614 12.978 5.150 1.00 0.00 C ATOM 568 OG1 THR A 37 4.628 12.499 6.061 1.00 0.00 O ATOM 569 CG2 THR A 37 2.963 11.778 4.479 1.00 0.00 C ATOM 0 H THR A 37 5.767 12.495 3.793 1.00 0.00 H new ATOM 0 HA THR A 37 3.402 14.145 3.406 1.00 0.00 H new ATOM 0 HB THR A 37 2.880 13.557 5.710 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.364 11.623 6.413 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.525 11.130 5.238 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.182 12.120 3.800 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.715 11.223 3.918 1.00 0.00 H new ATOM 577 N SER A 38 6.105 15.322 4.539 1.00 0.00 N ATOM 578 CA SER A 38 6.832 16.486 4.962 1.00 0.00 C ATOM 579 C SER A 38 6.920 17.489 3.803 1.00 0.00 C ATOM 580 O SER A 38 6.933 17.106 2.628 1.00 0.00 O ATOM 581 CB SER A 38 8.247 16.054 5.397 1.00 0.00 C ATOM 582 OG SER A 38 9.038 17.137 5.856 1.00 0.00 O ATOM 0 H SER A 38 6.703 14.588 4.160 1.00 0.00 H new ATOM 0 HA SER A 38 6.321 16.963 5.799 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.167 15.309 6.188 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.749 15.574 4.557 1.00 0.00 H new ATOM 0 HG SER A 38 9.922 16.807 6.120 1.00 0.00 H new ATOM 588 N PHE A 39 6.977 18.755 4.138 1.00 0.00 N ATOM 589 CA PHE A 39 7.135 19.809 3.179 1.00 0.00 C ATOM 590 C PHE A 39 8.243 20.710 3.614 1.00 0.00 C ATOM 591 O PHE A 39 8.551 20.800 4.808 1.00 0.00 O ATOM 592 CB PHE A 39 5.848 20.608 2.973 1.00 0.00 C ATOM 593 CG PHE A 39 4.836 19.892 2.148 1.00 0.00 C ATOM 594 CD1 PHE A 39 5.052 19.734 0.793 1.00 0.00 C ATOM 595 CD2 PHE A 39 3.675 19.385 2.706 1.00 0.00 C ATOM 596 CE1 PHE A 39 4.142 19.088 0.008 1.00 0.00 C ATOM 597 CE2 PHE A 39 2.759 18.734 1.920 1.00 0.00 C ATOM 598 CZ PHE A 39 2.995 18.585 0.566 1.00 0.00 C ATOM 0 H PHE A 39 6.913 19.082 5.102 1.00 0.00 H new ATOM 0 HA PHE A 39 7.379 19.354 2.219 1.00 0.00 H new ATOM 0 HB2 PHE A 39 5.414 20.842 3.945 1.00 0.00 H new ATOM 0 HB3 PHE A 39 6.090 21.557 2.495 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.954 20.127 0.348 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.490 19.502 3.764 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.325 18.973 -1.050 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.855 18.338 2.358 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.275 18.071 -0.053 1.00 0.00 H new ATOM 865 N HIS A 55 15.631 11.874 -2.082 1.00 0.00 N ATOM 866 CA HIS A 55 14.784 10.895 -1.425 1.00 0.00 C ATOM 867 C HIS A 55 14.401 9.763 -2.374 1.00 0.00 C ATOM 868 O HIS A 55 14.158 8.643 -1.942 1.00 0.00 O ATOM 869 CB HIS A 55 13.541 11.550 -0.761 1.00 0.00 C ATOM 870 CG HIS A 55 12.762 12.528 -1.621 1.00 0.00 C ATOM 871 ND1 HIS A 55 12.034 13.577 -1.116 1.00 0.00 N ATOM 872 CD2 HIS A 55 12.617 12.594 -2.962 1.00 0.00 C ATOM 873 CE1 HIS A 55 11.483 14.232 -2.141 1.00 0.00 C ATOM 874 NE2 HIS A 55 11.800 13.667 -3.290 1.00 0.00 N ATOM 0 HA HIS A 55 15.367 10.453 -0.617 1.00 0.00 H new ATOM 0 HB2 HIS A 55 12.864 10.757 -0.444 1.00 0.00 H new ATOM 0 HB3 HIS A 55 13.867 12.070 0.140 1.00 0.00 H new ATOM 0 HD2 HIS A 55 13.068 11.915 -3.671 1.00 0.00 H new ATOM 0 HE1 HIS A 55 10.860 15.109 -2.042 1.00 0.00 H new ATOM 0 HE2 HIS A 55 11.507 13.957 -4.223 1.00 0.00 H new ATOM 882 N LEU A 56 14.423 10.049 -3.667 1.00 0.00 N ATOM 883 CA LEU A 56 14.114 9.061 -4.674 1.00 0.00 C ATOM 884 C LEU A 56 15.268 8.121 -4.768 1.00 0.00 C ATOM 885 O LEU A 56 15.071 6.930 -4.748 1.00 0.00 O ATOM 886 CB LEU A 56 13.769 9.732 -6.044 1.00 0.00 C ATOM 887 CG LEU A 56 13.454 8.826 -7.282 1.00 0.00 C ATOM 888 CD1 LEU A 56 14.699 8.209 -7.910 1.00 0.00 C ATOM 889 CD2 LEU A 56 12.457 7.744 -6.930 1.00 0.00 C ATOM 0 H LEU A 56 14.655 10.969 -4.040 1.00 0.00 H new ATOM 0 HA LEU A 56 13.223 8.500 -4.393 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.907 10.380 -5.884 1.00 0.00 H new ATOM 0 HB3 LEU A 56 14.606 10.376 -6.314 1.00 0.00 H new ATOM 0 HG LEU A 56 13.016 9.488 -8.029 1.00 0.00 H new ATOM 0 HD11 LEU A 56 14.410 7.594 -8.762 1.00 0.00 H new ATOM 0 HD12 LEU A 56 15.368 9.001 -8.245 1.00 0.00 H new ATOM 0 HD13 LEU A 56 15.210 7.590 -7.172 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.259 7.132 -7.810 1.00 0.00 H new ATOM 0 HD22 LEU A 56 12.865 7.118 -6.136 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.528 8.202 -6.590 1.00 0.00 H new ATOM 901 N SER A 57 16.468 8.668 -4.794 1.00 0.00 N ATOM 902 CA SER A 57 17.681 7.887 -4.875 1.00 0.00 C ATOM 903 C SER A 57 17.748 6.886 -3.717 1.00 0.00 C ATOM 904 O SER A 57 18.163 5.759 -3.888 1.00 0.00 O ATOM 905 CB SER A 57 18.865 8.837 -4.828 1.00 0.00 C ATOM 906 OG SER A 57 18.670 9.913 -5.748 1.00 0.00 O ATOM 0 H SER A 57 16.627 9.675 -4.759 1.00 0.00 H new ATOM 0 HA SER A 57 17.699 7.321 -5.806 1.00 0.00 H new ATOM 0 HB2 SER A 57 18.986 9.229 -3.818 1.00 0.00 H new ATOM 0 HB3 SER A 57 19.781 8.300 -5.073 1.00 0.00 H new ATOM 0 HG SER A 57 19.438 10.520 -5.709 1.00 0.00 H new ATOM 912 N LEU A 58 17.268 7.306 -2.563 1.00 0.00 N ATOM 913 CA LEU A 58 17.285 6.476 -1.371 1.00 0.00 C ATOM 914 C LEU A 58 16.148 5.459 -1.398 1.00 0.00 C ATOM 915 O LEU A 58 16.356 4.270 -1.158 1.00 0.00 O ATOM 916 CB LEU A 58 17.154 7.363 -0.136 1.00 0.00 C ATOM 917 CG LEU A 58 18.129 8.546 -0.090 1.00 0.00 C ATOM 918 CD1 LEU A 58 17.850 9.432 1.104 1.00 0.00 C ATOM 919 CD2 LEU A 58 19.578 8.066 -0.075 1.00 0.00 C ATOM 0 H LEU A 58 16.856 8.229 -2.424 1.00 0.00 H new ATOM 0 HA LEU A 58 18.229 5.932 -1.338 1.00 0.00 H new ATOM 0 HB2 LEU A 58 16.135 7.747 -0.088 1.00 0.00 H new ATOM 0 HB3 LEU A 58 17.306 6.750 0.752 1.00 0.00 H new ATOM 0 HG LEU A 58 17.977 9.134 -0.995 1.00 0.00 H new ATOM 0 HD11 LEU A 58 18.555 10.263 1.113 1.00 0.00 H new ATOM 0 HD12 LEU A 58 16.833 9.820 1.040 1.00 0.00 H new ATOM 0 HD13 LEU A 58 17.960 8.853 2.021 1.00 0.00 H new ATOM 0 HD21 LEU A 58 20.246 8.927 -0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 58 19.746 7.443 0.803 1.00 0.00 H new ATOM 0 HD23 LEU A 58 19.778 7.485 -0.975 1.00 0.00 H new ATOM 931 N CYS A 59 14.965 5.930 -1.713 1.00 0.00 N ATOM 932 CA CYS A 59 13.765 5.113 -1.691 1.00 0.00 C ATOM 933 C CYS A 59 13.797 4.069 -2.815 1.00 0.00 C ATOM 934 O CYS A 59 13.613 2.885 -2.552 1.00 0.00 O ATOM 935 CB CYS A 59 12.549 6.026 -1.786 1.00 0.00 C ATOM 936 SG CYS A 59 10.940 5.274 -1.459 1.00 0.00 S ATOM 0 H CYS A 59 14.802 6.897 -1.994 1.00 0.00 H new ATOM 0 HA CYS A 59 13.708 4.557 -0.755 1.00 0.00 H new ATOM 0 HB2 CYS A 59 12.687 6.850 -1.086 1.00 0.00 H new ATOM 0 HB3 CYS A 59 12.525 6.458 -2.787 1.00 0.00 H new ATOM 941 N CYS A 60 14.074 4.511 -4.056 1.00 0.00 N ATOM 942 CA CYS A 60 14.239 3.655 -5.201 1.00 0.00 C ATOM 943 C CYS A 60 15.254 2.570 -4.897 1.00 0.00 C ATOM 944 O CYS A 60 15.012 1.403 -5.141 1.00 0.00 O ATOM 945 CB CYS A 60 14.751 4.498 -6.365 1.00 0.00 C ATOM 946 SG CYS A 60 14.525 3.768 -7.961 1.00 0.00 S ATOM 0 H CYS A 60 14.188 5.501 -4.275 1.00 0.00 H new ATOM 0 HA CYS A 60 13.284 3.192 -5.451 1.00 0.00 H new ATOM 0 HB2 CYS A 60 14.245 5.463 -6.347 1.00 0.00 H new ATOM 0 HB3 CYS A 60 15.813 4.692 -6.216 1.00 0.00 H new ATOM 951 N ASN A 61 16.347 2.965 -4.260 1.00 0.00 N ATOM 952 CA ASN A 61 17.457 2.049 -3.966 1.00 0.00 C ATOM 953 C ASN A 61 17.088 1.068 -2.876 1.00 0.00 C ATOM 954 O ASN A 61 17.653 -0.014 -2.778 1.00 0.00 O ATOM 955 CB ASN A 61 18.699 2.836 -3.592 1.00 0.00 C ATOM 956 CG ASN A 61 19.964 2.008 -3.424 1.00 0.00 C ATOM 957 OD1 ASN A 61 20.687 1.768 -4.392 1.00 0.00 O ATOM 958 ND2 ASN A 61 20.279 1.625 -2.211 1.00 0.00 N ATOM 0 H ASN A 61 16.496 3.919 -3.932 1.00 0.00 H new ATOM 0 HA ASN A 61 17.669 1.471 -4.865 1.00 0.00 H new ATOM 0 HB2 ASN A 61 18.877 3.590 -4.359 1.00 0.00 H new ATOM 0 HB3 ASN A 61 18.506 3.368 -2.661 1.00 0.00 H new ATOM 0 HD21 ASN A 61 21.145 1.112 -2.047 1.00 0.00 H new ATOM 0 HD22 ASN A 61 19.658 1.840 -1.431 1.00 0.00 H new ATOM 965 N GLN A 62 16.144 1.438 -2.069 1.00 0.00 N ATOM 966 CA GLN A 62 15.694 0.582 -1.014 1.00 0.00 C ATOM 967 C GLN A 62 14.652 -0.416 -1.546 1.00 0.00 C ATOM 968 O GLN A 62 14.778 -1.628 -1.345 1.00 0.00 O ATOM 969 CB GLN A 62 15.147 1.425 0.149 1.00 0.00 C ATOM 970 CG GLN A 62 14.691 0.638 1.368 1.00 0.00 C ATOM 971 CD GLN A 62 15.802 -0.169 2.014 1.00 0.00 C ATOM 972 OE1 GLN A 62 16.025 -1.325 1.676 1.00 0.00 O ATOM 973 NE2 GLN A 62 16.497 0.426 2.939 1.00 0.00 N ATOM 0 H GLN A 62 15.665 2.337 -2.121 1.00 0.00 H new ATOM 0 HA GLN A 62 16.534 0.001 -0.633 1.00 0.00 H new ATOM 0 HB2 GLN A 62 15.919 2.128 0.460 1.00 0.00 H new ATOM 0 HB3 GLN A 62 14.307 2.015 -0.216 1.00 0.00 H new ATOM 0 HG2 GLN A 62 14.278 1.328 2.104 1.00 0.00 H new ATOM 0 HG3 GLN A 62 13.885 -0.035 1.076 1.00 0.00 H new ATOM 0 HE21 GLN A 62 16.284 1.390 3.196 1.00 0.00 H new ATOM 0 HE22 GLN A 62 17.255 -0.071 3.407 1.00 0.00 H new ATOM 982 N LEU A 63 13.679 0.092 -2.280 1.00 0.00 N ATOM 983 CA LEU A 63 12.584 -0.725 -2.808 1.00 0.00 C ATOM 984 C LEU A 63 13.103 -1.751 -3.826 1.00 0.00 C ATOM 985 O LEU A 63 12.612 -2.860 -3.909 1.00 0.00 O ATOM 986 CB LEU A 63 11.496 0.192 -3.442 1.00 0.00 C ATOM 987 CG LEU A 63 11.837 0.894 -4.763 1.00 0.00 C ATOM 988 CD1 LEU A 63 11.547 0.014 -5.958 1.00 0.00 C ATOM 989 CD2 LEU A 63 11.121 2.212 -4.871 1.00 0.00 C ATOM 0 H LEU A 63 13.619 1.079 -2.531 1.00 0.00 H new ATOM 0 HA LEU A 63 12.135 -1.280 -1.985 1.00 0.00 H new ATOM 0 HB2 LEU A 63 10.602 -0.410 -3.603 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.236 0.959 -2.712 1.00 0.00 H new ATOM 0 HG LEU A 63 12.909 1.090 -4.762 1.00 0.00 H new ATOM 0 HD11 LEU A 63 11.802 0.548 -6.873 1.00 0.00 H new ATOM 0 HD12 LEU A 63 12.142 -0.897 -5.892 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.488 -0.244 -5.971 1.00 0.00 H new ATOM 0 HD21 LEU A 63 11.379 2.690 -5.816 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.045 2.046 -4.831 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.420 2.857 -4.045 1.00 0.00 H new ATOM 1001 N GLN A 64 14.124 -1.362 -4.570 1.00 0.00 N ATOM 1002 CA GLN A 64 14.689 -2.178 -5.641 1.00 0.00 C ATOM 1003 C GLN A 64 15.413 -3.406 -5.098 1.00 0.00 C ATOM 1004 O GLN A 64 15.718 -4.333 -5.840 1.00 0.00 O ATOM 1005 CB GLN A 64 15.645 -1.342 -6.485 1.00 0.00 C ATOM 1006 CG GLN A 64 16.901 -0.950 -5.750 1.00 0.00 C ATOM 1007 CD GLN A 64 17.825 -0.088 -6.563 1.00 0.00 C ATOM 1008 OE1 GLN A 64 17.397 0.687 -7.429 1.00 0.00 O ATOM 1009 NE2 GLN A 64 19.088 -0.194 -6.292 1.00 0.00 N ATOM 0 H GLN A 64 14.591 -0.463 -4.450 1.00 0.00 H new ATOM 0 HA GLN A 64 13.863 -2.527 -6.261 1.00 0.00 H new ATOM 0 HB2 GLN A 64 15.916 -1.904 -7.379 1.00 0.00 H new ATOM 0 HB3 GLN A 64 15.131 -0.441 -6.818 1.00 0.00 H new ATOM 0 HG2 GLN A 64 16.628 -0.418 -4.838 1.00 0.00 H new ATOM 0 HG3 GLN A 64 17.432 -1.852 -5.446 1.00 0.00 H new ATOM 0 HE21 GLN A 64 19.402 -0.844 -5.571 1.00 0.00 H new ATOM 0 HE22 GLN A 64 19.768 0.373 -6.799 1.00 0.00 H new ATOM 1018 N GLU A 65 15.705 -3.399 -3.814 1.00 0.00 N ATOM 1019 CA GLU A 65 16.370 -4.519 -3.181 1.00 0.00 C ATOM 1020 C GLU A 65 15.358 -5.573 -2.780 1.00 0.00 C ATOM 1021 O GLU A 65 15.708 -6.691 -2.413 1.00 0.00 O ATOM 1022 CB GLU A 65 17.182 -4.057 -1.989 1.00 0.00 C ATOM 1023 CG GLU A 65 18.353 -3.178 -2.358 1.00 0.00 C ATOM 1024 CD GLU A 65 19.412 -3.913 -3.146 1.00 0.00 C ATOM 1025 OE1 GLU A 65 19.344 -3.952 -4.394 1.00 0.00 O ATOM 1026 OE2 GLU A 65 20.347 -4.456 -2.526 1.00 0.00 O ATOM 0 H GLU A 65 15.491 -2.625 -3.185 1.00 0.00 H new ATOM 0 HA GLU A 65 17.059 -4.965 -3.898 1.00 0.00 H new ATOM 0 HB2 GLU A 65 16.531 -3.512 -1.306 1.00 0.00 H new ATOM 0 HB3 GLU A 65 17.550 -4.930 -1.450 1.00 0.00 H new ATOM 0 HG2 GLU A 65 17.995 -2.330 -2.942 1.00 0.00 H new ATOM 0 HG3 GLU A 65 18.798 -2.774 -1.449 1.00 0.00 H new ATOM 1033 N VAL A 66 14.108 -5.203 -2.849 1.00 0.00 N ATOM 1034 CA VAL A 66 13.020 -6.124 -2.603 1.00 0.00 C ATOM 1035 C VAL A 66 12.777 -6.898 -3.913 1.00 0.00 C ATOM 1036 O VAL A 66 13.289 -6.493 -4.979 1.00 0.00 O ATOM 1037 CB VAL A 66 11.714 -5.358 -2.194 1.00 0.00 C ATOM 1038 CG1 VAL A 66 10.645 -6.293 -1.653 1.00 0.00 C ATOM 1039 CG2 VAL A 66 12.013 -4.264 -1.188 1.00 0.00 C ATOM 0 H VAL A 66 13.810 -4.255 -3.077 1.00 0.00 H new ATOM 0 HA VAL A 66 13.277 -6.796 -1.784 1.00 0.00 H new ATOM 0 HB VAL A 66 11.323 -4.900 -3.103 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.760 -5.717 -1.383 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.382 -7.026 -2.416 1.00 0.00 H new ATOM 0 HG13 VAL A 66 11.025 -6.808 -0.771 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.089 -3.751 -0.923 1.00 0.00 H new ATOM 0 HG22 VAL A 66 12.453 -4.703 -0.293 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.713 -3.550 -1.624 1.00 0.00 H new ATOM 1049 N GLU A 67 12.065 -8.017 -3.830 1.00 0.00 N ATOM 1050 CA GLU A 67 11.683 -8.817 -4.994 1.00 0.00 C ATOM 1051 C GLU A 67 11.109 -7.956 -6.100 1.00 0.00 C ATOM 1052 O GLU A 67 10.383 -7.012 -5.831 1.00 0.00 O ATOM 1053 CB GLU A 67 10.659 -9.850 -4.599 1.00 0.00 C ATOM 1054 CG GLU A 67 11.204 -10.950 -3.757 1.00 0.00 C ATOM 1055 CD GLU A 67 10.174 -11.995 -3.452 1.00 0.00 C ATOM 1056 OE1 GLU A 67 9.403 -11.828 -2.489 1.00 0.00 O ATOM 1057 OE2 GLU A 67 10.121 -13.022 -4.172 1.00 0.00 O ATOM 0 H GLU A 67 11.732 -8.400 -2.945 1.00 0.00 H new ATOM 0 HA GLU A 67 12.585 -9.303 -5.365 1.00 0.00 H new ATOM 0 HB2 GLU A 67 9.851 -9.358 -4.058 1.00 0.00 H new ATOM 0 HB3 GLU A 67 10.223 -10.279 -5.501 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.048 -11.413 -4.269 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.586 -10.536 -2.824 1.00 0.00 H new ATOM 1064 N LYS A 68 11.392 -8.311 -7.336 1.00 0.00 N ATOM 1065 CA LYS A 68 10.979 -7.512 -8.488 1.00 0.00 C ATOM 1066 C LYS A 68 9.470 -7.423 -8.612 1.00 0.00 C ATOM 1067 O LYS A 68 8.937 -6.424 -9.056 1.00 0.00 O ATOM 1068 CB LYS A 68 11.655 -7.994 -9.782 1.00 0.00 C ATOM 1069 CG LYS A 68 11.368 -9.435 -10.184 1.00 0.00 C ATOM 1070 CD LYS A 68 12.445 -9.987 -11.122 1.00 0.00 C ATOM 1071 CE LYS A 68 12.563 -9.243 -12.454 1.00 0.00 C ATOM 1072 NZ LYS A 68 11.398 -9.460 -13.333 1.00 0.00 N ATOM 0 H LYS A 68 11.911 -9.155 -7.578 1.00 0.00 H new ATOM 0 HA LYS A 68 11.326 -6.493 -8.316 1.00 0.00 H new ATOM 0 HB2 LYS A 68 11.344 -7.341 -10.597 1.00 0.00 H new ATOM 0 HB3 LYS A 68 12.733 -7.875 -9.672 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.310 -10.057 -9.291 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.396 -9.489 -10.674 1.00 0.00 H new ATOM 0 HD2 LYS A 68 13.408 -9.950 -10.612 1.00 0.00 H new ATOM 0 HD3 LYS A 68 12.231 -11.037 -11.323 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.673 -8.176 -12.261 1.00 0.00 H new ATOM 0 HE3 LYS A 68 13.467 -9.569 -12.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 11.671 -9.284 -14.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 11.067 -10.441 -13.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 10.634 -8.808 -13.064 1.00 0.00 H new ATOM 1086 N GLN A 69 8.787 -8.435 -8.144 1.00 0.00 N ATOM 1087 CA GLN A 69 7.326 -8.438 -8.167 1.00 0.00 C ATOM 1088 C GLN A 69 6.767 -7.601 -6.994 1.00 0.00 C ATOM 1089 O GLN A 69 5.594 -7.211 -6.980 1.00 0.00 O ATOM 1090 CB GLN A 69 6.808 -9.878 -8.072 1.00 0.00 C ATOM 1091 CG GLN A 69 7.197 -10.576 -6.774 1.00 0.00 C ATOM 1092 CD GLN A 69 6.731 -12.010 -6.671 1.00 0.00 C ATOM 1093 OE1 GLN A 69 6.668 -12.699 -7.771 1.00 0.00 O flip ATOM 1094 NE2 GLN A 69 6.463 -12.505 -5.584 1.00 0.00 N flip ATOM 0 H GLN A 69 9.207 -9.272 -7.740 1.00 0.00 H new ATOM 0 HA GLN A 69 6.989 -7.995 -9.104 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.722 -9.872 -8.162 1.00 0.00 H new ATOM 0 HB3 GLN A 69 7.194 -10.452 -8.914 1.00 0.00 H new ATOM 0 HG2 GLN A 69 8.282 -10.552 -6.674 1.00 0.00 H new ATOM 0 HG3 GLN A 69 6.787 -10.013 -5.936 1.00 0.00 H new ATOM 0 HE21 GLN A 69 6.522 -11.939 -4.737 1.00 0.00 H new ATOM 0 HE22 GLN A 69 6.181 -13.484 -5.525 1.00 0.00 H new ATOM 1103 N CYS A 70 7.636 -7.308 -6.040 1.00 0.00 N ATOM 1104 CA CYS A 70 7.263 -6.647 -4.804 1.00 0.00 C ATOM 1105 C CYS A 70 7.816 -5.228 -4.721 1.00 0.00 C ATOM 1106 O CYS A 70 7.494 -4.489 -3.800 1.00 0.00 O ATOM 1107 CB CYS A 70 7.774 -7.466 -3.631 1.00 0.00 C ATOM 1108 SG CYS A 70 7.228 -9.200 -3.669 1.00 0.00 S ATOM 0 H CYS A 70 8.630 -7.526 -6.105 1.00 0.00 H new ATOM 0 HA CYS A 70 6.176 -6.574 -4.775 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.864 -7.436 -3.624 1.00 0.00 H new ATOM 0 HB3 CYS A 70 7.436 -7.007 -2.702 1.00 0.00 H new ATOM 1113 N GLN A 71 8.649 -4.859 -5.675 1.00 0.00 N ATOM 1114 CA GLN A 71 9.213 -3.511 -5.748 1.00 0.00 C ATOM 1115 C GLN A 71 8.117 -2.494 -5.951 1.00 0.00 C ATOM 1116 O GLN A 71 8.113 -1.440 -5.335 1.00 0.00 O ATOM 1117 CB GLN A 71 10.253 -3.441 -6.855 1.00 0.00 C ATOM 1118 CG GLN A 71 11.537 -4.156 -6.499 1.00 0.00 C ATOM 1119 CD GLN A 71 12.498 -4.295 -7.653 1.00 0.00 C ATOM 1120 OE1 GLN A 71 12.511 -3.484 -8.575 1.00 0.00 O ATOM 1121 NE2 GLN A 71 13.335 -5.291 -7.590 1.00 0.00 N ATOM 0 H GLN A 71 8.958 -5.479 -6.424 1.00 0.00 H new ATOM 0 HA GLN A 71 9.709 -3.278 -4.806 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.839 -3.878 -7.764 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.473 -2.396 -7.075 1.00 0.00 H new ATOM 0 HG2 GLN A 71 12.030 -3.616 -5.691 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.295 -5.148 -6.118 1.00 0.00 H new ATOM 0 HE21 GLN A 71 13.293 -5.944 -6.808 1.00 0.00 H new ATOM 0 HE22 GLN A 71 14.033 -5.418 -8.323 1.00 0.00 H new ATOM 1130 N CYS A 72 7.153 -2.827 -6.782 1.00 0.00 N ATOM 1131 CA CYS A 72 6.032 -1.949 -6.973 1.00 0.00 C ATOM 1132 C CYS A 72 5.069 -2.058 -5.805 1.00 0.00 C ATOM 1133 O CYS A 72 4.324 -1.133 -5.511 1.00 0.00 O ATOM 1134 CB CYS A 72 5.319 -2.217 -8.276 1.00 0.00 C ATOM 1135 SG CYS A 72 4.524 -3.848 -8.425 1.00 0.00 S ATOM 0 H CYS A 72 7.127 -3.689 -7.327 1.00 0.00 H new ATOM 0 HA CYS A 72 6.418 -0.931 -7.019 1.00 0.00 H new ATOM 0 HB2 CYS A 72 4.558 -1.449 -8.416 1.00 0.00 H new ATOM 0 HB3 CYS A 72 6.036 -2.108 -9.090 1.00 0.00 H new ATOM 1140 N GLU A 73 5.112 -3.179 -5.125 1.00 0.00 N ATOM 1141 CA GLU A 73 4.256 -3.406 -3.992 1.00 0.00 C ATOM 1142 C GLU A 73 4.688 -2.543 -2.825 1.00 0.00 C ATOM 1143 O GLU A 73 3.862 -2.058 -2.052 1.00 0.00 O ATOM 1144 CB GLU A 73 4.224 -4.882 -3.620 1.00 0.00 C ATOM 1145 CG GLU A 73 3.621 -5.739 -4.702 1.00 0.00 C ATOM 1146 CD GLU A 73 2.223 -5.284 -5.052 1.00 0.00 C ATOM 1147 OE1 GLU A 73 1.262 -5.760 -4.426 1.00 0.00 O ATOM 1148 OE2 GLU A 73 2.073 -4.436 -5.933 1.00 0.00 O ATOM 0 H GLU A 73 5.739 -3.954 -5.342 1.00 0.00 H new ATOM 0 HA GLU A 73 3.239 -3.120 -4.261 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.239 -5.223 -3.415 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.653 -5.009 -2.700 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.251 -5.701 -5.591 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.595 -6.778 -4.373 1.00 0.00 H new ATOM 1155 N ALA A 74 5.982 -2.293 -2.744 1.00 0.00 N ATOM 1156 CA ALA A 74 6.544 -1.445 -1.725 1.00 0.00 C ATOM 1157 C ALA A 74 6.023 -0.021 -1.892 1.00 0.00 C ATOM 1158 O ALA A 74 5.850 0.714 -0.926 1.00 0.00 O ATOM 1159 CB ALA A 74 8.056 -1.496 -1.803 1.00 0.00 C ATOM 0 H ALA A 74 6.671 -2.678 -3.390 1.00 0.00 H new ATOM 0 HA ALA A 74 6.242 -1.798 -0.739 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.482 -0.854 -1.032 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.394 -2.521 -1.650 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.382 -1.150 -2.784 1.00 0.00 H new ATOM 1165 N ILE A 75 5.677 0.307 -3.126 1.00 0.00 N ATOM 1166 CA ILE A 75 5.161 1.614 -3.478 1.00 0.00 C ATOM 1167 C ILE A 75 3.773 1.792 -2.891 1.00 0.00 C ATOM 1168 O ILE A 75 3.400 2.878 -2.450 1.00 0.00 O ATOM 1169 CB ILE A 75 5.043 1.749 -5.013 1.00 0.00 C ATOM 1170 CG1 ILE A 75 6.370 1.418 -5.703 1.00 0.00 C ATOM 1171 CG2 ILE A 75 4.527 3.108 -5.423 1.00 0.00 C ATOM 1172 CD1 ILE A 75 7.566 2.151 -5.169 1.00 0.00 C ATOM 0 H ILE A 75 5.748 -0.334 -3.916 1.00 0.00 H new ATOM 0 HA ILE A 75 5.846 2.366 -3.086 1.00 0.00 H new ATOM 0 HB ILE A 75 4.306 1.018 -5.346 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.550 0.347 -5.614 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.273 1.638 -6.766 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.460 3.159 -6.510 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.539 3.268 -4.990 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.209 3.879 -5.065 1.00 0.00 H new ATOM 0 HD11 ILE A 75 8.455 1.848 -5.722 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.416 3.225 -5.283 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.697 1.913 -4.113 1.00 0.00 H new ATOM 1184 N LYS A 76 3.050 0.690 -2.807 1.00 0.00 N ATOM 1185 CA LYS A 76 1.661 0.717 -2.384 1.00 0.00 C ATOM 1186 C LYS A 76 1.669 1.038 -0.915 1.00 0.00 C ATOM 1187 O LYS A 76 0.934 1.900 -0.423 1.00 0.00 O ATOM 1188 CB LYS A 76 1.030 -0.670 -2.601 1.00 0.00 C ATOM 1189 CG LYS A 76 1.277 -1.281 -3.986 1.00 0.00 C ATOM 1190 CD LYS A 76 0.595 -0.517 -5.105 1.00 0.00 C ATOM 1191 CE LYS A 76 0.859 -1.165 -6.471 1.00 0.00 C ATOM 1192 NZ LYS A 76 0.377 -2.565 -6.554 1.00 0.00 N ATOM 0 H LYS A 76 3.404 -0.241 -3.028 1.00 0.00 H new ATOM 0 HA LYS A 76 1.088 1.451 -2.950 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.418 -1.352 -1.844 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.045 -0.593 -2.440 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.350 -1.312 -4.177 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.923 -2.312 -3.990 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.479 -0.480 -4.920 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.952 0.513 -5.114 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.373 -0.573 -7.247 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.929 -1.143 -6.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.363 -2.869 -7.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.013 -3.184 -6.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.584 -2.625 -6.160 1.00 0.00 H new ATOM 1206 N GLN A 77 2.616 0.397 -0.265 1.00 0.00 N ATOM 1207 CA GLN A 77 2.859 0.486 1.157 1.00 0.00 C ATOM 1208 C GLN A 77 3.100 1.914 1.564 1.00 0.00 C ATOM 1209 O GLN A 77 2.543 2.367 2.570 1.00 0.00 O ATOM 1210 CB GLN A 77 4.084 -0.332 1.491 1.00 0.00 C ATOM 1211 CG GLN A 77 3.992 -1.761 0.994 1.00 0.00 C ATOM 1212 CD GLN A 77 3.309 -2.731 1.936 1.00 0.00 C ATOM 1213 OE1 GLN A 77 3.617 -3.919 1.929 1.00 0.00 O ATOM 1214 NE2 GLN A 77 2.401 -2.265 2.753 1.00 0.00 N ATOM 0 H GLN A 77 3.268 -0.230 -0.737 1.00 0.00 H new ATOM 0 HA GLN A 77 1.987 0.110 1.692 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.962 0.143 1.054 1.00 0.00 H new ATOM 0 HB3 GLN A 77 4.228 -0.337 2.571 1.00 0.00 H new ATOM 0 HG2 GLN A 77 3.457 -1.764 0.044 1.00 0.00 H new ATOM 0 HG3 GLN A 77 5.000 -2.124 0.793 1.00 0.00 H new ATOM 0 HE21 GLN A 77 2.163 -1.273 2.739 1.00 0.00 H new ATOM 0 HE22 GLN A 77 1.931 -2.893 3.404 1.00 0.00 H new ATOM 1223 N VAL A 78 3.912 2.627 0.769 1.00 0.00 N ATOM 1224 CA VAL A 78 4.228 4.020 1.055 1.00 0.00 C ATOM 1225 C VAL A 78 2.956 4.833 1.079 1.00 0.00 C ATOM 1226 O VAL A 78 2.716 5.595 2.006 1.00 0.00 O ATOM 1227 CB VAL A 78 5.144 4.691 0.001 1.00 0.00 C ATOM 1228 CG1 VAL A 78 5.613 6.033 0.508 1.00 0.00 C ATOM 1229 CG2 VAL A 78 6.311 3.829 -0.391 1.00 0.00 C ATOM 0 H VAL A 78 4.356 2.257 -0.071 1.00 0.00 H new ATOM 0 HA VAL A 78 4.749 4.003 2.012 1.00 0.00 H new ATOM 0 HB VAL A 78 4.551 4.832 -0.903 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.257 6.499 -0.238 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.751 6.673 0.694 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.171 5.897 1.434 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.917 4.351 -1.132 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.918 3.616 0.489 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.946 2.894 -0.815 1.00 0.00 H new ATOM 1239 N VAL A 79 2.113 4.611 0.076 1.00 0.00 N ATOM 1240 CA VAL A 79 0.903 5.390 -0.081 1.00 0.00 C ATOM 1241 C VAL A 79 -0.013 5.111 1.076 1.00 0.00 C ATOM 1242 O VAL A 79 -0.529 6.028 1.706 1.00 0.00 O ATOM 1243 CB VAL A 79 0.160 5.052 -1.396 1.00 0.00 C ATOM 1244 CG1 VAL A 79 -1.038 5.973 -1.585 1.00 0.00 C ATOM 1245 CG2 VAL A 79 1.100 5.127 -2.589 1.00 0.00 C ATOM 0 H VAL A 79 2.251 3.896 -0.638 1.00 0.00 H new ATOM 0 HA VAL A 79 1.187 6.442 -0.114 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.206 4.028 -1.327 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.548 5.720 -2.515 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.726 5.851 -0.749 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.698 7.008 -1.627 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.552 4.885 -3.500 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.508 6.135 -2.668 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.915 4.415 -2.456 1.00 0.00 H new ATOM 1255 N GLU A 80 -0.149 3.838 1.369 1.00 0.00 N ATOM 1256 CA GLU A 80 -0.990 3.335 2.431 1.00 0.00 C ATOM 1257 C GLU A 80 -0.643 3.989 3.767 1.00 0.00 C ATOM 1258 O GLU A 80 -1.505 4.557 4.434 1.00 0.00 O ATOM 1259 CB GLU A 80 -0.816 1.818 2.530 1.00 0.00 C ATOM 1260 CG GLU A 80 -1.655 1.155 3.597 1.00 0.00 C ATOM 1261 CD GLU A 80 -1.353 -0.311 3.733 1.00 0.00 C ATOM 1262 OE1 GLU A 80 -0.400 -0.665 4.460 1.00 0.00 O ATOM 1263 OE2 GLU A 80 -2.085 -1.145 3.150 1.00 0.00 O ATOM 0 H GLU A 80 0.338 3.101 0.859 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.028 3.577 2.201 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.062 1.374 1.565 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.234 1.598 2.724 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.480 1.650 4.553 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -2.711 1.285 3.359 1.00 0.00 H new ATOM 1270 N GLN A 81 0.625 3.959 4.119 1.00 0.00 N ATOM 1271 CA GLN A 81 1.049 4.463 5.406 1.00 0.00 C ATOM 1272 C GLN A 81 1.088 5.993 5.451 1.00 0.00 C ATOM 1273 O GLN A 81 0.735 6.600 6.465 1.00 0.00 O ATOM 1274 CB GLN A 81 2.379 3.839 5.841 1.00 0.00 C ATOM 1275 CG GLN A 81 3.561 4.135 4.932 1.00 0.00 C ATOM 1276 CD GLN A 81 4.816 3.395 5.344 1.00 0.00 C ATOM 1277 OE1 GLN A 81 5.923 3.873 5.164 1.00 0.00 O ATOM 1278 NE2 GLN A 81 4.665 2.218 5.874 1.00 0.00 N ATOM 0 H GLN A 81 1.376 3.593 3.534 1.00 0.00 H new ATOM 0 HA GLN A 81 0.295 4.157 6.131 1.00 0.00 H new ATOM 0 HB2 GLN A 81 2.616 4.191 6.845 1.00 0.00 H new ATOM 0 HB3 GLN A 81 2.251 2.758 5.904 1.00 0.00 H new ATOM 0 HG2 GLN A 81 3.304 3.863 3.908 1.00 0.00 H new ATOM 0 HG3 GLN A 81 3.758 5.207 4.937 1.00 0.00 H new ATOM 0 HE21 GLN A 81 3.729 1.838 6.015 1.00 0.00 H new ATOM 0 HE22 GLN A 81 5.483 1.674 6.149 1.00 0.00 H new ATOM 1287 N ALA A 82 1.439 6.616 4.341 1.00 0.00 N ATOM 1288 CA ALA A 82 1.539 8.061 4.299 1.00 0.00 C ATOM 1289 C ALA A 82 0.160 8.707 4.326 1.00 0.00 C ATOM 1290 O ALA A 82 -0.028 9.775 4.920 1.00 0.00 O ATOM 1291 CB ALA A 82 2.329 8.513 3.083 1.00 0.00 C ATOM 0 H ALA A 82 1.658 6.147 3.462 1.00 0.00 H new ATOM 0 HA ALA A 82 2.076 8.387 5.190 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.391 9.601 3.073 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.334 8.093 3.125 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.830 8.170 2.177 1.00 0.00 H new ATOM 1297 N GLN A 83 -0.814 8.056 3.717 1.00 0.00 N ATOM 1298 CA GLN A 83 -2.142 8.595 3.708 1.00 0.00 C ATOM 1299 C GLN A 83 -2.793 8.378 5.051 1.00 0.00 C ATOM 1300 O GLN A 83 -3.501 9.241 5.531 1.00 0.00 O ATOM 1301 CB GLN A 83 -3.018 8.013 2.580 1.00 0.00 C ATOM 1302 CG GLN A 83 -3.365 6.535 2.723 1.00 0.00 C ATOM 1303 CD GLN A 83 -4.269 6.011 1.627 1.00 0.00 C ATOM 1304 OE1 GLN A 83 -4.170 6.568 0.451 1.00 0.00 O flip ATOM 1305 NE2 GLN A 83 -5.056 5.090 1.848 1.00 0.00 N flip ATOM 0 H GLN A 83 -0.704 7.166 3.231 1.00 0.00 H new ATOM 0 HA GLN A 83 -2.055 9.664 3.511 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -3.945 8.584 2.531 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.503 8.158 1.630 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -2.443 5.954 2.730 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -3.849 6.376 3.687 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -5.109 4.676 2.779 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -5.655 4.741 1.100 1.00 0.00 H new ATOM 1314 N LYS A 84 -2.502 7.246 5.691 1.00 0.00 N ATOM 1315 CA LYS A 84 -3.131 6.931 6.949 1.00 0.00 C ATOM 1316 C LYS A 84 -2.618 7.820 8.048 1.00 0.00 C ATOM 1317 O LYS A 84 -3.386 8.247 8.894 1.00 0.00 O ATOM 1318 CB LYS A 84 -3.033 5.416 7.303 1.00 0.00 C ATOM 1319 CG LYS A 84 -1.633 4.866 7.608 1.00 0.00 C ATOM 1320 CD LYS A 84 -1.176 5.129 9.038 1.00 0.00 C ATOM 1321 CE LYS A 84 -1.987 4.336 10.047 1.00 0.00 C ATOM 1322 NZ LYS A 84 -1.512 4.540 11.424 1.00 0.00 N ATOM 0 H LYS A 84 -1.841 6.546 5.354 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.196 7.136 6.841 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.668 5.228 8.169 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -3.449 4.845 6.472 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.625 3.792 7.424 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.917 5.313 6.918 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.122 4.870 9.136 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.264 6.193 9.257 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -3.035 4.628 9.979 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -1.935 3.276 9.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.828 3.749 12.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.473 4.585 11.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -1.899 5.431 11.796 1.00 0.00 H new ATOM 1336 N GLN A 85 -1.329 8.157 7.989 1.00 0.00 N ATOM 1337 CA GLN A 85 -0.716 8.943 9.036 1.00 0.00 C ATOM 1338 C GLN A 85 -1.264 10.372 9.031 1.00 0.00 C ATOM 1339 O GLN A 85 -1.349 11.027 10.071 1.00 0.00 O ATOM 1340 CB GLN A 85 0.820 8.911 8.952 1.00 0.00 C ATOM 1341 CG GLN A 85 1.443 9.736 7.839 1.00 0.00 C ATOM 1342 CD GLN A 85 2.960 9.838 7.941 1.00 0.00 C ATOM 1343 OE1 GLN A 85 3.656 9.969 6.945 1.00 0.00 O ATOM 1344 NE2 GLN A 85 3.481 9.821 9.140 1.00 0.00 N ATOM 0 H GLN A 85 -0.701 7.895 7.229 1.00 0.00 H new ATOM 0 HA GLN A 85 -0.980 8.492 9.992 1.00 0.00 H new ATOM 0 HB2 GLN A 85 1.223 9.257 9.904 1.00 0.00 H new ATOM 0 HB3 GLN A 85 1.136 7.875 8.830 1.00 0.00 H new ATOM 0 HG2 GLN A 85 1.179 9.295 6.878 1.00 0.00 H new ATOM 0 HG3 GLN A 85 1.016 10.739 7.857 1.00 0.00 H new ATOM 0 HE21 GLN A 85 2.879 9.710 9.956 1.00 0.00 H new ATOM 0 HE22 GLN A 85 4.489 9.918 9.259 1.00 0.00 H new ATOM 1353 N LEU A 86 -1.644 10.842 7.866 1.00 0.00 N ATOM 1354 CA LEU A 86 -2.271 12.137 7.758 1.00 0.00 C ATOM 1355 C LEU A 86 -3.789 12.061 7.979 1.00 0.00 C ATOM 1356 O LEU A 86 -4.368 12.925 8.644 1.00 0.00 O ATOM 1357 CB LEU A 86 -1.877 12.847 6.447 1.00 0.00 C ATOM 1358 CG LEU A 86 -0.646 13.768 6.520 1.00 0.00 C ATOM 1359 CD1 LEU A 86 -0.877 14.906 7.494 1.00 0.00 C ATOM 1360 CD2 LEU A 86 0.587 13.020 6.923 1.00 0.00 C ATOM 0 H LEU A 86 -1.530 10.347 6.981 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.889 12.760 8.567 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.693 12.087 5.687 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.728 13.438 6.107 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.497 14.170 5.518 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.008 15.542 7.527 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.735 15.494 7.169 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.070 14.501 8.487 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.433 13.707 6.962 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.436 12.573 7.906 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.791 12.235 6.195 1.00 0.00 H new ATOM 1372 N GLN A 87 -4.404 10.995 7.487 1.00 0.00 N ATOM 1373 CA GLN A 87 -5.856 10.753 7.603 1.00 0.00 C ATOM 1374 C GLN A 87 -6.303 10.652 9.066 1.00 0.00 C ATOM 1375 O GLN A 87 -7.400 11.086 9.427 1.00 0.00 O ATOM 1376 CB GLN A 87 -6.204 9.459 6.871 1.00 0.00 C ATOM 1377 CG GLN A 87 -7.662 9.044 6.922 1.00 0.00 C ATOM 1378 CD GLN A 87 -7.921 7.752 6.171 1.00 0.00 C ATOM 1379 OE1 GLN A 87 -6.929 6.889 6.108 1.00 0.00 O flip ATOM 1380 NE2 GLN A 87 -9.012 7.535 5.642 1.00 0.00 N flip ATOM 0 H GLN A 87 -3.911 10.256 6.986 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.379 11.598 7.156 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.912 9.565 5.826 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -5.601 8.653 7.290 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -7.967 8.924 7.962 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -8.278 9.837 6.498 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -9.759 8.226 5.711 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -9.169 6.664 5.135 1.00 0.00 H new ATOM 1389 N GLN A 88 -5.445 10.093 9.896 1.00 0.00 N ATOM 1390 CA GLN A 88 -5.731 9.912 11.324 1.00 0.00 C ATOM 1391 C GLN A 88 -5.611 11.225 12.096 1.00 0.00 C ATOM 1392 O GLN A 88 -5.884 11.294 13.304 1.00 0.00 O ATOM 1393 CB GLN A 88 -4.799 8.863 11.908 1.00 0.00 C ATOM 1394 CG GLN A 88 -3.333 9.221 11.800 1.00 0.00 C ATOM 1395 CD GLN A 88 -2.404 8.113 12.232 1.00 0.00 C ATOM 1396 OE1 GLN A 88 -2.720 6.926 12.128 1.00 0.00 O ATOM 1397 NE2 GLN A 88 -1.238 8.478 12.660 1.00 0.00 N ATOM 0 H GLN A 88 -4.528 9.749 9.610 1.00 0.00 H new ATOM 0 HA GLN A 88 -6.762 9.572 11.421 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -5.050 8.711 12.958 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -4.970 7.914 11.399 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -3.109 9.489 10.768 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.138 10.104 12.408 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -1.009 9.469 12.734 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -0.548 7.774 12.923 1.00 0.00 H new ATOM 1406 N GLY A 89 -5.190 12.243 11.408 1.00 0.00 N ATOM 1407 CA GLY A 89 -5.072 13.539 11.997 1.00 0.00 C ATOM 1408 C GLY A 89 -6.183 14.446 11.533 1.00 0.00 C ATOM 1409 O GLY A 89 -7.345 14.039 11.492 1.00 0.00 O ATOM 0 H GLY A 89 -4.920 12.197 10.426 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.098 13.453 13.083 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.108 13.975 11.735 1.00 0.00 H new ATOM 1413 N GLN A 90 -5.830 15.637 11.134 1.00 0.00 N ATOM 1414 CA GLN A 90 -6.800 16.633 10.721 1.00 0.00 C ATOM 1415 C GLN A 90 -7.120 16.526 9.227 1.00 0.00 C ATOM 1416 O GLN A 90 -8.190 16.955 8.776 1.00 0.00 O ATOM 1417 CB GLN A 90 -6.296 18.036 11.074 1.00 0.00 C ATOM 1418 CG GLN A 90 -4.952 18.390 10.452 1.00 0.00 C ATOM 1419 CD GLN A 90 -4.443 19.737 10.892 1.00 0.00 C ATOM 1420 OE1 GLN A 90 -3.729 19.846 11.887 1.00 0.00 O ATOM 1421 NE2 GLN A 90 -4.812 20.769 10.182 1.00 0.00 N ATOM 0 H GLN A 90 -4.861 15.952 11.083 1.00 0.00 H new ATOM 0 HA GLN A 90 -7.727 16.446 11.262 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -7.037 18.768 10.752 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -6.216 18.119 12.158 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -4.221 17.626 10.717 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -5.045 18.379 9.366 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -5.405 20.638 9.363 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -4.507 21.706 10.447 1.00 0.00 H new ATOM 1430 N GLY A 91 -6.209 15.965 8.475 1.00 0.00 N ATOM 1431 CA GLY A 91 -6.403 15.817 7.057 1.00 0.00 C ATOM 1432 C GLY A 91 -5.091 15.660 6.344 1.00 0.00 C ATOM 1433 O GLY A 91 -4.589 14.558 6.216 1.00 0.00 O ATOM 0 H GLY A 91 -5.322 15.602 8.823 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -7.032 14.949 6.862 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.931 16.687 6.666 1.00 0.00 H new ATOM 1437 N GLY A 92 -4.553 16.759 5.854 1.00 0.00 N ATOM 1438 CA GLY A 92 -3.250 16.786 5.207 1.00 0.00 C ATOM 1439 C GLY A 92 -3.198 16.174 3.835 1.00 0.00 C ATOM 1440 O GLY A 92 -2.507 16.685 2.994 1.00 0.00 O ATOM 0 H GLY A 92 -5.011 17.670 5.893 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -2.920 17.822 5.137 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.535 16.266 5.845 1.00 0.00 H new ATOM 1444 N GLN A 93 -3.932 15.102 3.610 1.00 0.00 N ATOM 1445 CA GLN A 93 -3.939 14.359 2.342 1.00 0.00 C ATOM 1446 C GLN A 93 -4.121 15.255 1.110 1.00 0.00 C ATOM 1447 O GLN A 93 -3.619 14.935 0.043 1.00 0.00 O ATOM 1448 CB GLN A 93 -5.000 13.264 2.363 1.00 0.00 C ATOM 1449 CG GLN A 93 -4.736 12.146 3.358 1.00 0.00 C ATOM 1450 CD GLN A 93 -5.844 11.114 3.357 1.00 0.00 C ATOM 1451 OE1 GLN A 93 -5.736 10.119 2.508 1.00 0.00 O flip ATOM 1452 NE2 GLN A 93 -6.812 11.228 4.109 1.00 0.00 N flip ATOM 0 H GLN A 93 -4.557 14.706 4.312 1.00 0.00 H new ATOM 0 HA GLN A 93 -2.952 13.906 2.252 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -5.965 13.716 2.592 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -5.078 12.833 1.365 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -3.789 11.662 3.117 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -4.633 12.567 4.358 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -6.865 12.014 4.757 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -7.561 10.537 4.084 1.00 0.00 H new ATOM 1461 N GLN A 94 -4.808 16.369 1.271 1.00 0.00 N ATOM 1462 CA GLN A 94 -5.015 17.317 0.186 1.00 0.00 C ATOM 1463 C GLN A 94 -3.755 18.159 -0.064 1.00 0.00 C ATOM 1464 O GLN A 94 -3.391 18.405 -1.205 1.00 0.00 O ATOM 1465 CB GLN A 94 -6.212 18.226 0.469 1.00 0.00 C ATOM 1466 CG GLN A 94 -6.053 19.043 1.731 1.00 0.00 C ATOM 1467 CD GLN A 94 -7.236 19.926 2.070 1.00 0.00 C ATOM 1468 OE1 GLN A 94 -7.912 20.436 1.081 1.00 0.00 O flip ATOM 1469 NE2 GLN A 94 -7.510 20.174 3.249 1.00 0.00 N flip ATOM 0 H GLN A 94 -5.239 16.645 2.154 1.00 0.00 H new ATOM 0 HA GLN A 94 -5.226 16.741 -0.715 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -6.357 18.899 -0.376 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -7.112 17.617 0.549 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -5.873 18.365 2.565 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -5.167 19.670 1.632 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -6.959 19.757 3.999 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -8.287 20.796 3.472 1.00 0.00 H new ATOM 1478 N GLN A 95 -3.072 18.575 1.002 1.00 0.00 N ATOM 1479 CA GLN A 95 -1.878 19.382 0.844 1.00 0.00 C ATOM 1480 C GLN A 95 -0.714 18.481 0.488 1.00 0.00 C ATOM 1481 O GLN A 95 0.020 18.741 -0.453 1.00 0.00 O ATOM 1482 CB GLN A 95 -1.566 20.231 2.092 1.00 0.00 C ATOM 1483 CG GLN A 95 -1.230 19.452 3.334 1.00 0.00 C ATOM 1484 CD GLN A 95 -0.891 20.305 4.532 1.00 0.00 C ATOM 1485 OE1 GLN A 95 -1.131 19.913 5.663 1.00 0.00 O ATOM 1486 NE2 GLN A 95 -0.319 21.453 4.307 1.00 0.00 N ATOM 0 H GLN A 95 -3.325 18.367 1.968 1.00 0.00 H new ATOM 0 HA GLN A 95 -2.052 20.092 0.036 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -0.731 20.892 1.861 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -2.426 20.866 2.303 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.075 18.812 3.587 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -0.386 18.796 3.120 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -0.132 21.751 3.349 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.057 22.054 5.088 1.00 0.00 H new ATOM 1495 N VAL A 96 -0.619 17.387 1.226 1.00 0.00 N ATOM 1496 CA VAL A 96 0.382 16.342 1.057 1.00 0.00 C ATOM 1497 C VAL A 96 0.258 15.681 -0.309 1.00 0.00 C ATOM 1498 O VAL A 96 1.222 15.142 -0.819 1.00 0.00 O ATOM 1499 CB VAL A 96 0.265 15.287 2.208 1.00 0.00 C ATOM 1500 CG1 VAL A 96 1.197 14.112 2.018 1.00 0.00 C ATOM 1501 CG2 VAL A 96 0.524 15.937 3.559 1.00 0.00 C ATOM 0 H VAL A 96 -1.264 17.193 1.992 1.00 0.00 H new ATOM 0 HA VAL A 96 1.370 16.800 1.111 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.755 14.904 2.176 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.074 13.412 2.845 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.963 13.610 1.079 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.228 14.466 1.993 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.438 15.188 4.346 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.527 16.363 3.572 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.208 16.727 3.729 1.00 0.00 H new ATOM 1511 N GLN A 97 -0.932 15.774 -0.901 1.00 0.00 N ATOM 1512 CA GLN A 97 -1.256 15.194 -2.220 1.00 0.00 C ATOM 1513 C GLN A 97 -0.146 15.404 -3.245 1.00 0.00 C ATOM 1514 O GLN A 97 0.346 14.450 -3.823 1.00 0.00 O ATOM 1515 CB GLN A 97 -2.529 15.820 -2.730 1.00 0.00 C ATOM 1516 CG GLN A 97 -2.991 15.329 -4.075 1.00 0.00 C ATOM 1517 CD GLN A 97 -4.258 16.027 -4.492 1.00 0.00 C ATOM 1518 OE1 GLN A 97 -5.057 16.437 -3.654 1.00 0.00 O ATOM 1519 NE2 GLN A 97 -4.456 16.182 -5.755 1.00 0.00 N ATOM 0 H GLN A 97 -1.719 16.263 -0.475 1.00 0.00 H new ATOM 0 HA GLN A 97 -1.373 14.118 -2.087 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.321 15.638 -2.003 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -2.388 16.899 -2.784 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -2.213 15.504 -4.818 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -3.159 14.253 -4.036 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -3.773 15.830 -6.425 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -5.296 16.657 -6.085 1.00 0.00 H new ATOM 1528 N GLN A 98 0.278 16.649 -3.399 1.00 0.00 N ATOM 1529 CA GLN A 98 1.320 17.045 -4.360 1.00 0.00 C ATOM 1530 C GLN A 98 2.667 16.345 -4.101 1.00 0.00 C ATOM 1531 O GLN A 98 3.526 16.305 -4.968 1.00 0.00 O ATOM 1532 CB GLN A 98 1.511 18.560 -4.327 1.00 0.00 C ATOM 1533 CG GLN A 98 1.971 19.079 -2.979 1.00 0.00 C ATOM 1534 CD GLN A 98 2.066 20.574 -2.924 1.00 0.00 C ATOM 1535 OE1 GLN A 98 1.100 21.258 -2.572 1.00 0.00 O ATOM 1536 NE2 GLN A 98 3.212 21.097 -3.256 1.00 0.00 N ATOM 0 H GLN A 98 -0.091 17.430 -2.857 1.00 0.00 H new ATOM 0 HA GLN A 98 0.979 16.731 -5.346 1.00 0.00 H new ATOM 0 HB2 GLN A 98 2.241 18.843 -5.086 1.00 0.00 H new ATOM 0 HB3 GLN A 98 0.571 19.043 -4.593 1.00 0.00 H new ATOM 0 HG2 GLN A 98 1.279 18.737 -2.210 1.00 0.00 H new ATOM 0 HG3 GLN A 98 2.945 18.650 -2.745 1.00 0.00 H new ATOM 0 HE21 GLN A 98 3.984 20.495 -3.541 1.00 0.00 H new ATOM 0 HE22 GLN A 98 3.337 22.109 -3.231 1.00 0.00 H new ATOM 1545 N MET A 99 2.845 15.814 -2.924 1.00 0.00 N ATOM 1546 CA MET A 99 4.086 15.186 -2.575 1.00 0.00 C ATOM 1547 C MET A 99 3.902 13.688 -2.565 1.00 0.00 C ATOM 1548 O MET A 99 4.686 12.963 -3.138 1.00 0.00 O ATOM 1549 CB MET A 99 4.517 15.653 -1.218 1.00 0.00 C ATOM 1550 CG MET A 99 6.010 15.684 -0.995 1.00 0.00 C ATOM 1551 SD MET A 99 6.875 16.810 -2.106 1.00 0.00 S ATOM 1552 CE MET A 99 8.548 16.635 -1.493 1.00 0.00 C ATOM 0 H MET A 99 2.141 15.804 -2.186 1.00 0.00 H new ATOM 0 HA MET A 99 4.850 15.451 -3.306 1.00 0.00 H new ATOM 0 HB2 MET A 99 4.120 16.654 -1.053 1.00 0.00 H new ATOM 0 HB3 MET A 99 4.067 15.003 -0.467 1.00 0.00 H new ATOM 0 HG2 MET A 99 6.210 15.977 0.036 1.00 0.00 H new ATOM 0 HG3 MET A 99 6.410 14.678 -1.124 1.00 0.00 H new ATOM 0 HE1 MET A 99 9.234 17.170 -2.150 1.00 0.00 H new ATOM 0 HE2 MET A 99 8.612 17.049 -0.487 1.00 0.00 H new ATOM 0 HE3 MET A 99 8.818 15.579 -1.469 1.00 0.00 H new ATOM 1562 N VAL A 100 2.849 13.232 -1.936 1.00 0.00 N ATOM 1563 CA VAL A 100 2.556 11.807 -1.869 1.00 0.00 C ATOM 1564 C VAL A 100 2.250 11.223 -3.271 1.00 0.00 C ATOM 1565 O VAL A 100 2.415 10.033 -3.506 1.00 0.00 O ATOM 1566 CB VAL A 100 1.440 11.468 -0.834 1.00 0.00 C ATOM 1567 CG1 VAL A 100 0.124 12.095 -1.205 1.00 0.00 C ATOM 1568 CG2 VAL A 100 1.294 9.971 -0.645 1.00 0.00 C ATOM 0 H VAL A 100 2.171 13.825 -1.457 1.00 0.00 H new ATOM 0 HA VAL A 100 3.460 11.319 -1.504 1.00 0.00 H new ATOM 0 HB VAL A 100 1.750 11.897 0.119 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -0.626 11.834 -0.459 1.00 0.00 H new ATOM 0 HG12 VAL A 100 0.236 13.179 -1.245 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -0.192 11.727 -2.181 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.508 9.771 0.083 1.00 0.00 H new ATOM 0 HG22 VAL A 100 1.034 9.508 -1.597 1.00 0.00 H new ATOM 0 HG23 VAL A 100 2.236 9.556 -0.285 1.00 0.00 H new ATOM 1578 N LYS A 101 1.816 12.069 -4.204 1.00 0.00 N ATOM 1579 CA LYS A 101 1.634 11.641 -5.590 1.00 0.00 C ATOM 1580 C LYS A 101 2.964 11.182 -6.202 1.00 0.00 C ATOM 1581 O LYS A 101 2.983 10.361 -7.101 1.00 0.00 O ATOM 1582 CB LYS A 101 0.952 12.741 -6.435 1.00 0.00 C ATOM 1583 CG LYS A 101 1.725 14.047 -6.608 1.00 0.00 C ATOM 1584 CD LYS A 101 2.711 14.021 -7.772 1.00 0.00 C ATOM 1585 CE LYS A 101 3.483 15.322 -7.845 1.00 0.00 C ATOM 1586 NZ LYS A 101 4.364 15.403 -9.018 1.00 0.00 N ATOM 0 H LYS A 101 1.586 13.047 -4.028 1.00 0.00 H new ATOM 0 HA LYS A 101 0.964 10.782 -5.593 1.00 0.00 H new ATOM 0 HB2 LYS A 101 0.747 12.333 -7.425 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -0.011 12.973 -5.980 1.00 0.00 H new ATOM 0 HG2 LYS A 101 1.017 14.862 -6.760 1.00 0.00 H new ATOM 0 HG3 LYS A 101 2.267 14.264 -5.688 1.00 0.00 H new ATOM 0 HD2 LYS A 101 3.403 13.187 -7.651 1.00 0.00 H new ATOM 0 HD3 LYS A 101 2.175 13.857 -8.707 1.00 0.00 H new ATOM 0 HE2 LYS A 101 2.780 16.154 -7.868 1.00 0.00 H new ATOM 0 HE3 LYS A 101 4.081 15.434 -6.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 5.198 15.979 -8.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.669 14.447 -9.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.850 15.841 -9.809 1.00 0.00 H new ATOM 1600 N LYS A 102 4.081 11.696 -5.667 1.00 0.00 N ATOM 1601 CA LYS A 102 5.411 11.302 -6.106 1.00 0.00 C ATOM 1602 C LYS A 102 5.662 9.844 -5.773 1.00 0.00 C ATOM 1603 O LYS A 102 6.403 9.171 -6.466 1.00 0.00 O ATOM 1604 CB LYS A 102 6.453 12.169 -5.447 1.00 0.00 C ATOM 1605 CG LYS A 102 6.386 13.634 -5.852 1.00 0.00 C ATOM 1606 CD LYS A 102 7.177 14.506 -4.895 1.00 0.00 C ATOM 1607 CE LYS A 102 8.611 14.039 -4.721 1.00 0.00 C ATOM 1608 NZ LYS A 102 9.408 14.158 -5.954 1.00 0.00 N ATOM 0 H LYS A 102 4.079 12.393 -4.922 1.00 0.00 H new ATOM 0 HA LYS A 102 5.476 11.432 -7.186 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.340 12.096 -4.365 1.00 0.00 H new ATOM 0 HB3 LYS A 102 7.442 11.780 -5.691 1.00 0.00 H new ATOM 0 HG2 LYS A 102 6.776 13.753 -6.863 1.00 0.00 H new ATOM 0 HG3 LYS A 102 5.346 13.961 -5.871 1.00 0.00 H new ATOM 0 HD2 LYS A 102 7.176 15.533 -5.261 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.682 14.513 -3.924 1.00 0.00 H new ATOM 0 HE2 LYS A 102 9.084 14.623 -3.931 1.00 0.00 H new ATOM 0 HE3 LYS A 102 8.612 12.999 -4.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 9.785 13.225 -6.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 8.806 14.515 -6.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 10.196 14.818 -5.796 1.00 0.00 H new ATOM 1622 N ALA A 103 5.004 9.357 -4.721 1.00 0.00 N ATOM 1623 CA ALA A 103 5.085 7.943 -4.351 1.00 0.00 C ATOM 1624 C ALA A 103 4.498 7.105 -5.471 1.00 0.00 C ATOM 1625 O ALA A 103 5.002 6.072 -5.824 1.00 0.00 O ATOM 1626 CB ALA A 103 4.338 7.660 -3.052 1.00 0.00 C ATOM 0 H ALA A 103 4.410 9.919 -4.111 1.00 0.00 H new ATOM 0 HA ALA A 103 6.133 7.687 -4.194 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.420 6.601 -2.809 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.772 8.252 -2.246 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.287 7.925 -3.171 1.00 0.00 H new ATOM 1632 N GLN A 104 3.473 7.632 -6.079 1.00 0.00 N ATOM 1633 CA GLN A 104 2.769 6.969 -7.155 1.00 0.00 C ATOM 1634 C GLN A 104 3.572 7.067 -8.455 1.00 0.00 C ATOM 1635 O GLN A 104 3.323 6.348 -9.422 1.00 0.00 O ATOM 1636 CB GLN A 104 1.384 7.580 -7.298 1.00 0.00 C ATOM 1637 CG GLN A 104 0.571 7.476 -6.016 1.00 0.00 C ATOM 1638 CD GLN A 104 -0.763 8.161 -6.103 1.00 0.00 C ATOM 1639 OE1 GLN A 104 -0.889 9.346 -5.787 1.00 0.00 O ATOM 1640 NE2 GLN A 104 -1.765 7.441 -6.502 1.00 0.00 N ATOM 0 H GLN A 104 3.092 8.548 -5.842 1.00 0.00 H new ATOM 0 HA GLN A 104 2.654 5.909 -6.926 1.00 0.00 H new ATOM 0 HB2 GLN A 104 1.479 8.628 -7.581 1.00 0.00 H new ATOM 0 HB3 GLN A 104 0.850 7.079 -8.106 1.00 0.00 H new ATOM 0 HG2 GLN A 104 0.417 6.424 -5.776 1.00 0.00 H new ATOM 0 HG3 GLN A 104 1.142 7.910 -5.195 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -1.622 6.463 -6.755 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -2.696 7.852 -6.563 1.00 0.00 H new ATOM 1649 N MET A 105 4.531 7.969 -8.466 1.00 0.00 N ATOM 1650 CA MET A 105 5.399 8.172 -9.615 1.00 0.00 C ATOM 1651 C MET A 105 6.631 7.316 -9.489 1.00 0.00 C ATOM 1652 O MET A 105 7.362 7.145 -10.452 1.00 0.00 O ATOM 1653 CB MET A 105 5.861 9.605 -9.706 1.00 0.00 C ATOM 1654 CG MET A 105 4.750 10.617 -9.677 1.00 0.00 C ATOM 1655 SD MET A 105 5.341 12.324 -9.865 1.00 0.00 S ATOM 1656 CE MET A 105 6.056 12.254 -11.512 1.00 0.00 C ATOM 0 H MET A 105 4.734 8.585 -7.679 1.00 0.00 H new ATOM 0 HA MET A 105 4.823 7.908 -10.502 1.00 0.00 H new ATOM 0 HB2 MET A 105 6.543 9.808 -8.880 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.429 9.733 -10.627 1.00 0.00 H new ATOM 0 HG2 MET A 105 4.041 10.394 -10.475 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.209 10.527 -8.735 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.835 13.179 -12.044 1.00 0.00 H new ATOM 0 HE2 MET A 105 7.136 12.129 -11.435 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.631 11.411 -12.057 1.00 0.00 H new ATOM 1666 N LEU A 106 6.863 6.798 -8.293 1.00 0.00 N ATOM 1667 CA LEU A 106 8.042 5.966 -7.998 1.00 0.00 C ATOM 1668 C LEU A 106 8.211 4.815 -9.002 1.00 0.00 C ATOM 1669 O LEU A 106 9.290 4.656 -9.558 1.00 0.00 O ATOM 1670 CB LEU A 106 8.021 5.423 -6.565 1.00 0.00 C ATOM 1671 CG LEU A 106 8.094 6.440 -5.433 1.00 0.00 C ATOM 1672 CD1 LEU A 106 7.982 5.748 -4.085 1.00 0.00 C ATOM 1673 CD2 LEU A 106 9.366 7.252 -5.497 1.00 0.00 C ATOM 0 H LEU A 106 6.246 6.937 -7.493 1.00 0.00 H new ATOM 0 HA LEU A 106 8.904 6.625 -8.098 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.108 4.841 -6.438 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.857 4.733 -6.453 1.00 0.00 H new ATOM 0 HG LEU A 106 7.253 7.123 -5.552 1.00 0.00 H new ATOM 0 HD11 LEU A 106 8.036 6.491 -3.289 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.030 5.220 -4.025 1.00 0.00 H new ATOM 0 HD13 LEU A 106 8.799 5.036 -3.973 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.383 7.967 -4.674 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.226 6.587 -5.418 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.408 7.789 -6.445 1.00 0.00 H new ATOM 1685 N PRO A 107 7.151 4.001 -9.286 1.00 0.00 N ATOM 1686 CA PRO A 107 7.244 2.935 -10.277 1.00 0.00 C ATOM 1687 C PRO A 107 7.556 3.458 -11.675 1.00 0.00 C ATOM 1688 O PRO A 107 8.186 2.766 -12.474 1.00 0.00 O ATOM 1689 CB PRO A 107 5.868 2.256 -10.244 1.00 0.00 C ATOM 1690 CG PRO A 107 4.969 3.227 -9.577 1.00 0.00 C ATOM 1691 CD PRO A 107 5.826 4.008 -8.637 1.00 0.00 C ATOM 0 HA PRO A 107 8.061 2.252 -10.044 1.00 0.00 H new ATOM 0 HB2 PRO A 107 5.519 2.024 -11.250 1.00 0.00 H new ATOM 0 HB3 PRO A 107 5.907 1.315 -9.696 1.00 0.00 H new ATOM 0 HG2 PRO A 107 4.494 3.882 -10.307 1.00 0.00 H new ATOM 0 HG3 PRO A 107 4.170 2.714 -9.041 1.00 0.00 H new ATOM 0 HD2 PRO A 107 5.451 5.023 -8.502 1.00 0.00 H new ATOM 0 HD3 PRO A 107 5.861 3.547 -7.650 1.00 0.00 H new ATOM 1699 N ASN A 108 7.181 4.695 -11.935 1.00 0.00 N ATOM 1700 CA ASN A 108 7.355 5.297 -13.210 1.00 0.00 C ATOM 1701 C ASN A 108 8.780 5.844 -13.330 1.00 0.00 C ATOM 1702 O ASN A 108 9.336 5.946 -14.421 1.00 0.00 O ATOM 1703 CB ASN A 108 6.313 6.419 -13.378 1.00 0.00 C ATOM 1704 CG ASN A 108 4.849 5.930 -13.401 1.00 0.00 C ATOM 1705 OD1 ASN A 108 4.497 4.909 -12.800 1.00 0.00 O ATOM 1706 ND2 ASN A 108 3.988 6.652 -14.071 1.00 0.00 N ATOM 0 H ASN A 108 6.742 5.306 -11.246 1.00 0.00 H new ATOM 0 HA ASN A 108 7.208 4.561 -14.000 1.00 0.00 H new ATOM 0 HB2 ASN A 108 6.432 7.134 -12.564 1.00 0.00 H new ATOM 0 HB3 ASN A 108 6.519 6.954 -14.305 1.00 0.00 H new ATOM 0 HD21 ASN A 108 3.007 6.376 -14.104 1.00 0.00 H new ATOM 0 HD22 ASN A 108 4.298 7.491 -14.561 1.00 0.00 H new ATOM 1713 N GLN A 109 9.360 6.208 -12.198 1.00 0.00 N ATOM 1714 CA GLN A 109 10.732 6.706 -12.137 1.00 0.00 C ATOM 1715 C GLN A 109 11.729 5.555 -12.070 1.00 0.00 C ATOM 1716 O GLN A 109 12.702 5.508 -12.813 1.00 0.00 O ATOM 1717 CB GLN A 109 10.934 7.612 -10.914 1.00 0.00 C ATOM 1718 CG GLN A 109 10.076 8.866 -10.894 1.00 0.00 C ATOM 1719 CD GLN A 109 10.297 9.755 -12.101 1.00 0.00 C ATOM 1720 OE1 GLN A 109 11.373 9.780 -12.687 1.00 0.00 O ATOM 1721 NE2 GLN A 109 9.303 10.501 -12.458 1.00 0.00 N ATOM 0 H GLN A 109 8.895 6.168 -11.291 1.00 0.00 H new ATOM 0 HA GLN A 109 10.907 7.282 -13.046 1.00 0.00 H new ATOM 0 HB2 GLN A 109 10.726 7.033 -10.014 1.00 0.00 H new ATOM 0 HB3 GLN A 109 11.982 7.907 -10.868 1.00 0.00 H new ATOM 0 HG2 GLN A 109 9.025 8.580 -10.848 1.00 0.00 H new ATOM 0 HG3 GLN A 109 10.292 9.433 -9.988 1.00 0.00 H new ATOM 0 HE21 GLN A 109 8.421 10.454 -11.947 1.00 0.00 H new ATOM 0 HE22 GLN A 109 9.401 11.136 -13.250 1.00 0.00 H new ATOM 1730 N CYS A 110 11.453 4.622 -11.190 1.00 0.00 N ATOM 1731 CA CYS A 110 12.335 3.507 -10.916 1.00 0.00 C ATOM 1732 C CYS A 110 12.187 2.372 -11.901 1.00 0.00 C ATOM 1733 O CYS A 110 12.894 1.369 -11.794 1.00 0.00 O ATOM 1734 CB CYS A 110 12.134 3.032 -9.480 1.00 0.00 C ATOM 1735 SG CYS A 110 12.611 4.269 -8.304 1.00 0.00 S ATOM 0 H CYS A 110 10.597 4.614 -10.635 1.00 0.00 H new ATOM 0 HA CYS A 110 13.358 3.864 -11.037 1.00 0.00 H new ATOM 0 HB2 CYS A 110 11.087 2.770 -9.327 1.00 0.00 H new ATOM 0 HB3 CYS A 110 12.717 2.127 -9.312 1.00 0.00 H new ATOM 1740 N ASN A 111 11.293 2.551 -12.875 1.00 0.00 N ATOM 1741 CA ASN A 111 11.021 1.554 -13.921 1.00 0.00 C ATOM 1742 C ASN A 111 10.609 0.234 -13.286 1.00 0.00 C ATOM 1743 O ASN A 111 11.310 -0.779 -13.362 1.00 0.00 O ATOM 1744 CB ASN A 111 12.231 1.366 -14.857 1.00 0.00 C ATOM 1745 CG ASN A 111 11.933 0.448 -16.045 1.00 0.00 C ATOM 1746 OD1 ASN A 111 10.813 0.398 -16.545 1.00 0.00 O ATOM 1747 ND2 ASN A 111 12.925 -0.272 -16.503 1.00 0.00 N ATOM 0 H ASN A 111 10.731 3.398 -12.964 1.00 0.00 H new ATOM 0 HA ASN A 111 10.198 1.921 -14.535 1.00 0.00 H new ATOM 0 HB2 ASN A 111 12.550 2.340 -15.229 1.00 0.00 H new ATOM 0 HB3 ASN A 111 13.064 0.954 -14.287 1.00 0.00 H new ATOM 0 HD21 ASN A 111 12.778 -0.896 -17.296 1.00 0.00 H new ATOM 0 HD22 ASN A 111 13.845 -0.209 -16.067 1.00 0.00 H new ATOM 1754 N LEU A 112 9.528 0.292 -12.581 1.00 0.00 N ATOM 1755 CA LEU A 112 9.009 -0.854 -11.891 1.00 0.00 C ATOM 1756 C LEU A 112 7.965 -1.534 -12.745 1.00 0.00 C ATOM 1757 O LEU A 112 7.372 -0.899 -13.618 1.00 0.00 O ATOM 1758 CB LEU A 112 8.466 -0.461 -10.512 1.00 0.00 C ATOM 1759 CG LEU A 112 9.481 0.237 -9.583 1.00 0.00 C ATOM 1760 CD1 LEU A 112 8.873 0.544 -8.222 1.00 0.00 C ATOM 1761 CD2 LEU A 112 10.742 -0.601 -9.429 1.00 0.00 C ATOM 0 H LEU A 112 8.972 1.139 -12.463 1.00 0.00 H new ATOM 0 HA LEU A 112 9.815 -1.567 -11.718 1.00 0.00 H new ATOM 0 HB2 LEU A 112 7.610 0.199 -10.651 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.099 -1.358 -10.014 1.00 0.00 H new ATOM 0 HG LEU A 112 9.752 1.185 -10.048 1.00 0.00 H new ATOM 0 HD11 LEU A 112 9.616 1.035 -7.594 1.00 0.00 H new ATOM 0 HD12 LEU A 112 8.013 1.201 -8.348 1.00 0.00 H new ATOM 0 HD13 LEU A 112 8.554 -0.384 -7.748 1.00 0.00 H new ATOM 0 HD21 LEU A 112 11.442 -0.088 -8.770 1.00 0.00 H new ATOM 0 HD22 LEU A 112 10.485 -1.570 -9.001 1.00 0.00 H new ATOM 0 HD23 LEU A 112 11.204 -0.746 -10.406 1.00 0.00 H new ATOM 1773 N GLN A 113 7.716 -2.804 -12.470 1.00 0.00 N ATOM 1774 CA GLN A 113 6.840 -3.677 -13.298 1.00 0.00 C ATOM 1775 C GLN A 113 5.365 -3.347 -13.165 1.00 0.00 C ATOM 1776 O GLN A 113 4.500 -4.133 -13.567 1.00 0.00 O ATOM 1777 CB GLN A 113 7.016 -5.135 -12.897 1.00 0.00 C ATOM 1778 CG GLN A 113 8.439 -5.646 -12.853 1.00 0.00 C ATOM 1779 CD GLN A 113 8.512 -7.104 -12.415 1.00 0.00 C ATOM 1780 OE1 GLN A 113 9.407 -7.824 -12.796 1.00 0.00 O ATOM 1781 NE2 GLN A 113 7.571 -7.550 -11.620 1.00 0.00 N ATOM 0 H GLN A 113 8.112 -3.281 -11.660 1.00 0.00 H new ATOM 0 HA GLN A 113 7.145 -3.502 -14.330 1.00 0.00 H new ATOM 0 HB2 GLN A 113 6.570 -5.276 -11.912 1.00 0.00 H new ATOM 0 HB3 GLN A 113 6.451 -5.753 -13.594 1.00 0.00 H new ATOM 0 HG2 GLN A 113 8.892 -5.541 -13.839 1.00 0.00 H new ATOM 0 HG3 GLN A 113 9.023 -5.032 -12.167 1.00 0.00 H new ATOM 0 HE21 GLN A 113 6.826 -6.926 -11.311 1.00 0.00 H new ATOM 0 HE22 GLN A 113 7.583 -8.522 -11.310 1.00 0.00 H new ATOM 1790 N CYS A 114 5.080 -2.210 -12.681 1.00 0.00 N ATOM 1791 CA CYS A 114 3.765 -1.853 -12.303 1.00 0.00 C ATOM 1792 C CYS A 114 3.603 -0.375 -12.528 1.00 0.00 C ATOM 1793 O CYS A 114 4.600 0.347 -12.558 1.00 0.00 O ATOM 1794 CB CYS A 114 3.654 -2.155 -10.830 1.00 0.00 C ATOM 1795 SG CYS A 114 3.932 -3.904 -10.365 1.00 0.00 S ATOM 0 H CYS A 114 5.770 -1.474 -12.529 1.00 0.00 H new ATOM 0 HA CYS A 114 3.006 -2.391 -12.871 1.00 0.00 H new ATOM 0 HB2 CYS A 114 4.373 -1.535 -10.294 1.00 0.00 H new ATOM 0 HB3 CYS A 114 2.662 -1.859 -10.489 1.00 0.00 H new ATOM 1800 N SER A 115 2.393 0.074 -12.667 1.00 0.00 N ATOM 1801 CA SER A 115 2.134 1.461 -12.884 1.00 0.00 C ATOM 1802 C SER A 115 0.997 1.905 -11.991 1.00 0.00 C ATOM 1803 O SER A 115 0.108 1.103 -11.670 1.00 0.00 O ATOM 1804 CB SER A 115 1.809 1.698 -14.362 1.00 0.00 C ATOM 1805 OG SER A 115 0.774 0.830 -14.813 1.00 0.00 O ATOM 0 H SER A 115 1.559 -0.512 -12.633 1.00 0.00 H new ATOM 0 HA SER A 115 3.016 2.051 -12.633 1.00 0.00 H new ATOM 0 HB2 SER A 115 1.505 2.735 -14.507 1.00 0.00 H new ATOM 0 HB3 SER A 115 2.705 1.541 -14.963 1.00 0.00 H new ATOM 0 HG SER A 115 0.588 1.006 -15.759 1.00 0.00 H new ATOM 1811 N ILE A 116 1.040 3.129 -11.546 1.00 0.00 N ATOM 1812 CA ILE A 116 -0.015 3.658 -10.735 1.00 0.00 C ATOM 1813 C ILE A 116 -0.741 4.679 -11.570 1.00 0.00 C ATOM 1814 O ILE A 116 -1.799 4.363 -12.129 1.00 0.00 O ATOM 1815 CB ILE A 116 0.512 4.340 -9.443 1.00 0.00 C ATOM 1816 CG1 ILE A 116 1.479 3.416 -8.678 1.00 0.00 C ATOM 1817 CG2 ILE A 116 -0.659 4.738 -8.542 1.00 0.00 C ATOM 1818 CD1 ILE A 116 0.872 2.124 -8.170 1.00 0.00 C ATOM 1819 OXT ILE A 116 -0.198 5.781 -11.753 1.00 0.00 O ATOM 0 H ILE A 116 1.801 3.782 -11.734 1.00 0.00 H new ATOM 0 HA ILE A 116 -0.664 2.841 -10.419 1.00 0.00 H new ATOM 0 HB ILE A 116 1.061 5.236 -9.734 1.00 0.00 H new ATOM 0 HG12 ILE A 116 2.317 3.173 -9.332 1.00 0.00 H new ATOM 0 HG13 ILE A 116 1.886 3.966 -7.829 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -0.278 5.215 -7.639 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -1.307 5.434 -9.074 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -1.227 3.849 -8.270 1.00 0.00 H new ATOM 0 HD11 ILE A 116 1.633 1.546 -7.646 1.00 0.00 H new ATOM 0 HD12 ILE A 116 0.054 2.351 -7.486 1.00 0.00 H new ATOM 0 HD13 ILE A 116 0.491 1.545 -9.012 1.00 0.00 H new