USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 603 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 50:sc= 0.201 USER MOD Single : A 3 SER OG : rot 21:sc= 0.266 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0161 USER MOD Single : A 17 ASN :FLIP amide:sc= -0.0526 F(o=-0.88,f=-0.053) USER MOD Single : A 23 CYS SG : rot 58:sc= -7.9! USER MOD Single : A 24 HIS : no HD1:sc= -1.01 K(o=-1,f=-1.8) USER MOD Single : A 25 GLN : amide:sc= -0.849 X(o=-0.85,f=-0.69) USER MOD Single : A 28 HIS : no HD1:sc= -0.635 K(o=-0.63,f=-1.4) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.375 USER MOD Single : A 33 GLN : amide:sc= -0.0879 K(o=-0.088,f=-1.9!) USER MOD Single : A 36 GLN : amide:sc=-0.00954 X(o=-0.0095,f=0) USER MOD Single : A 37 ASN : amide:sc= -0.129 K(o=-0.13,f=-0.75) USER MOD Single : A 39 MET CE :methyl 174:sc= -0.0707 (180deg=-0.146) USER MOD Single : A 41 HIS : no HD1:sc= -0.0201 X(o=-0.02,f=-0.2) USER MOD Single : A 45 GLN : amide:sc= -0.0371 X(o=-0.037,f=-0.49) USER MOD Single : A 46 GLN : amide:sc= -0.0412 X(o=-0.041,f=-0.041) USER MOD Single : A 52 ASN : amide:sc= -0.207 K(o=-0.21,f=-1.8!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 139:sc= -2.61! (180deg=-2.89!) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.861 X(o=-0.86,f=-1.2) USER MOD Single : A 67 THR OG1 : rot -71:sc= 1.14 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 157:sc= -0.18 (180deg=-0.502) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.602 -7.418 10.592 1.00 0.00 N ATOM 2 CA GLY A 1 13.971 -6.564 11.708 1.00 0.00 C ATOM 3 C GLY A 1 12.815 -5.641 12.098 1.00 0.00 C ATOM 4 O GLY A 1 12.916 -4.423 11.962 1.00 0.00 O ATOM 0 H1 GLY A 1 14.403 -8.034 10.347 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.784 -8.003 10.858 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.354 -6.829 9.771 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.255 -7.178 12.562 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.843 -5.967 11.441 1.00 0.00 H new ATOM 8 N SER A 2 11.744 -6.257 12.576 1.00 0.00 N ATOM 9 CA SER A 2 10.570 -5.506 12.987 1.00 0.00 C ATOM 10 C SER A 2 9.612 -6.414 13.761 1.00 0.00 C ATOM 11 O SER A 2 9.733 -7.637 13.709 1.00 0.00 O ATOM 12 CB SER A 2 9.859 -4.891 11.780 1.00 0.00 C ATOM 13 OG SER A 2 10.109 -3.492 11.669 1.00 0.00 O ATOM 0 H SER A 2 11.665 -7.268 12.688 1.00 0.00 H new ATOM 0 HA SER A 2 10.895 -4.693 13.637 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.190 -5.392 10.870 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.786 -5.062 11.865 1.00 0.00 H new ATOM 0 HG SER A 2 11.073 -3.326 11.726 1.00 0.00 H new ATOM 19 N SER A 3 8.682 -5.781 14.460 1.00 0.00 N ATOM 20 CA SER A 3 7.703 -6.516 15.243 1.00 0.00 C ATOM 21 C SER A 3 6.510 -5.616 15.570 1.00 0.00 C ATOM 22 O SER A 3 6.672 -4.564 16.186 1.00 0.00 O ATOM 23 CB SER A 3 8.326 -7.060 16.531 1.00 0.00 C ATOM 24 OG SER A 3 8.751 -6.015 17.401 1.00 0.00 O ATOM 0 H SER A 3 8.585 -4.766 14.501 1.00 0.00 H new ATOM 0 HA SER A 3 7.358 -7.363 14.651 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.601 -7.689 17.047 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.177 -7.694 16.282 1.00 0.00 H new ATOM 0 HG SER A 3 8.280 -5.187 17.172 1.00 0.00 H new ATOM 30 N GLY A 4 5.338 -6.062 15.142 1.00 0.00 N ATOM 31 CA GLY A 4 4.119 -5.310 15.381 1.00 0.00 C ATOM 32 C GLY A 4 4.045 -4.082 14.471 1.00 0.00 C ATOM 33 O GLY A 4 4.107 -4.205 13.249 1.00 0.00 O ATOM 0 H GLY A 4 5.207 -6.935 14.631 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.253 -5.949 15.207 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.079 -4.997 16.424 1.00 0.00 H new ATOM 37 N SER A 5 3.913 -2.925 15.103 1.00 0.00 N ATOM 38 CA SER A 5 3.830 -1.675 14.366 1.00 0.00 C ATOM 39 C SER A 5 5.087 -1.484 13.516 1.00 0.00 C ATOM 40 O SER A 5 6.148 -2.013 13.843 1.00 0.00 O ATOM 41 CB SER A 5 3.644 -0.488 15.313 1.00 0.00 C ATOM 42 OG SER A 5 2.919 0.575 14.702 1.00 0.00 O ATOM 0 H SER A 5 3.861 -2.827 16.117 1.00 0.00 H new ATOM 0 HA SER A 5 2.960 -1.722 13.711 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.117 -0.818 16.208 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.620 -0.124 15.633 1.00 0.00 H new ATOM 0 HG SER A 5 2.820 1.313 15.340 1.00 0.00 H new ATOM 48 N SER A 6 4.927 -0.728 12.440 1.00 0.00 N ATOM 49 CA SER A 6 6.036 -0.461 11.540 1.00 0.00 C ATOM 50 C SER A 6 5.899 0.941 10.942 1.00 0.00 C ATOM 51 O SER A 6 6.801 1.767 11.075 1.00 0.00 O ATOM 52 CB SER A 6 6.107 -1.508 10.427 1.00 0.00 C ATOM 53 OG SER A 6 4.849 -1.687 9.782 1.00 0.00 O ATOM 0 H SER A 6 4.045 -0.292 12.171 1.00 0.00 H new ATOM 0 HA SER A 6 6.962 -0.516 12.113 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.852 -1.205 9.691 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.439 -2.459 10.844 1.00 0.00 H new ATOM 0 HG SER A 6 4.936 -2.362 9.077 1.00 0.00 H new ATOM 59 N GLY A 7 4.764 1.166 10.297 1.00 0.00 N ATOM 60 CA GLY A 7 4.498 2.454 9.678 1.00 0.00 C ATOM 61 C GLY A 7 3.086 2.940 10.011 1.00 0.00 C ATOM 62 O GLY A 7 2.119 2.544 9.361 1.00 0.00 O ATOM 0 H GLY A 7 4.018 0.479 10.189 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.229 3.185 10.023 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.613 2.373 8.597 1.00 0.00 H new ATOM 66 N PRO A 8 3.009 3.814 11.050 1.00 0.00 N ATOM 67 CA PRO A 8 1.732 4.359 11.477 1.00 0.00 C ATOM 68 C PRO A 8 1.235 5.425 10.498 1.00 0.00 C ATOM 69 O PRO A 8 1.211 6.611 10.825 1.00 0.00 O ATOM 70 CB PRO A 8 1.984 4.906 12.872 1.00 0.00 C ATOM 71 CG PRO A 8 3.491 5.066 12.991 1.00 0.00 C ATOM 72 CD PRO A 8 4.132 4.306 11.842 1.00 0.00 C ATOM 0 HA PRO A 8 0.940 3.610 11.494 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.477 5.861 13.015 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.602 4.226 13.633 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.767 6.120 12.953 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.842 4.679 13.948 1.00 0.00 H new ATOM 0 HD2 PRO A 8 4.779 4.954 11.251 1.00 0.00 H new ATOM 0 HD3 PRO A 8 4.749 3.485 12.206 1.00 0.00 H new ATOM 80 N ASP A 9 0.852 4.965 9.316 1.00 0.00 N ATOM 81 CA ASP A 9 0.357 5.864 8.287 1.00 0.00 C ATOM 82 C ASP A 9 -0.736 5.159 7.482 1.00 0.00 C ATOM 83 O ASP A 9 -0.441 4.365 6.591 1.00 0.00 O ATOM 84 CB ASP A 9 1.474 6.262 7.321 1.00 0.00 C ATOM 85 CG ASP A 9 1.918 7.723 7.411 1.00 0.00 C ATOM 86 OD1 ASP A 9 1.409 8.416 8.318 1.00 0.00 O ATOM 87 OD2 ASP A 9 2.757 8.115 6.571 1.00 0.00 O ATOM 0 H ASP A 9 0.874 3.981 9.048 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.031 6.757 8.777 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.338 5.624 7.506 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.141 6.061 6.303 1.00 0.00 H new ATOM 92 N ALA A 10 -1.976 5.476 7.825 1.00 0.00 N ATOM 93 CA ALA A 10 -3.115 4.883 7.146 1.00 0.00 C ATOM 94 C ALA A 10 -3.274 3.430 7.599 1.00 0.00 C ATOM 95 O ALA A 10 -2.453 2.578 7.263 1.00 0.00 O ATOM 96 CB ALA A 10 -2.927 5.004 5.632 1.00 0.00 C ATOM 0 H ALA A 10 -2.217 6.136 8.564 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.033 5.411 7.404 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.782 4.559 5.123 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.849 6.056 5.358 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.016 4.483 5.336 1.00 0.00 H new ATOM 102 N ASP A 11 -4.336 3.192 8.354 1.00 0.00 N ATOM 103 CA ASP A 11 -4.613 1.857 8.856 1.00 0.00 C ATOM 104 C ASP A 11 -4.309 0.831 7.762 1.00 0.00 C ATOM 105 O ASP A 11 -4.285 1.169 6.579 1.00 0.00 O ATOM 106 CB ASP A 11 -6.085 1.709 9.246 1.00 0.00 C ATOM 107 CG ASP A 11 -6.330 1.141 10.645 1.00 0.00 C ATOM 108 OD1 ASP A 11 -5.405 1.264 11.478 1.00 0.00 O ATOM 109 OD2 ASP A 11 -7.435 0.595 10.851 1.00 0.00 O ATOM 0 H ASP A 11 -5.015 3.901 8.630 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.989 1.692 9.734 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.563 2.686 9.178 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.575 1.063 8.517 1.00 0.00 H new ATOM 114 N PRO A 12 -4.079 -0.433 8.207 1.00 0.00 N ATOM 115 CA PRO A 12 -3.778 -1.510 7.279 1.00 0.00 C ATOM 116 C PRO A 12 -5.037 -1.963 6.537 1.00 0.00 C ATOM 117 O PRO A 12 -5.103 -1.883 5.311 1.00 0.00 O ATOM 118 CB PRO A 12 -3.166 -2.607 8.134 1.00 0.00 C ATOM 119 CG PRO A 12 -3.571 -2.294 9.566 1.00 0.00 C ATOM 120 CD PRO A 12 -4.100 -0.870 9.600 1.00 0.00 C ATOM 0 HA PRO A 12 -3.088 -1.206 6.492 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.531 -3.588 7.830 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.081 -2.624 8.030 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -4.334 -2.993 9.908 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.718 -2.400 10.236 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.109 -0.832 10.012 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.476 -0.231 10.225 1.00 0.00 H new ATOM 128 N VAL A 13 -6.007 -2.428 7.311 1.00 0.00 N ATOM 129 CA VAL A 13 -7.260 -2.894 6.743 1.00 0.00 C ATOM 130 C VAL A 13 -7.723 -1.911 5.666 1.00 0.00 C ATOM 131 O VAL A 13 -7.899 -2.289 4.509 1.00 0.00 O ATOM 132 CB VAL A 13 -8.294 -3.096 7.852 1.00 0.00 C ATOM 133 CG1 VAL A 13 -8.397 -1.854 8.740 1.00 0.00 C ATOM 134 CG2 VAL A 13 -9.659 -3.468 7.268 1.00 0.00 C ATOM 0 H VAL A 13 -5.950 -2.492 8.327 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.125 -3.863 6.263 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.959 -3.925 8.475 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -9.139 -2.025 9.520 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.429 -1.653 9.198 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.697 -0.998 8.135 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.376 -3.606 8.078 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -10.003 -2.670 6.611 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.571 -4.394 6.699 1.00 0.00 H new ATOM 144 N GLU A 14 -7.908 -0.667 6.085 1.00 0.00 N ATOM 145 CA GLU A 14 -8.348 0.373 5.171 1.00 0.00 C ATOM 146 C GLU A 14 -7.625 0.240 3.829 1.00 0.00 C ATOM 147 O GLU A 14 -8.262 0.077 2.790 1.00 0.00 O ATOM 148 CB GLU A 14 -8.131 1.762 5.776 1.00 0.00 C ATOM 149 CG GLU A 14 -9.421 2.294 6.403 1.00 0.00 C ATOM 150 CD GLU A 14 -9.704 3.726 5.944 1.00 0.00 C ATOM 151 OE1 GLU A 14 -10.086 3.878 4.764 1.00 0.00 O ATOM 152 OE2 GLU A 14 -9.533 4.635 6.784 1.00 0.00 O ATOM 0 H GLU A 14 -7.761 -0.356 7.045 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.417 0.251 4.999 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.347 1.715 6.532 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.787 2.450 5.003 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -10.256 1.649 6.129 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.340 2.266 7.490 1.00 0.00 H new ATOM 159 N ILE A 15 -6.304 0.317 3.895 1.00 0.00 N ATOM 160 CA ILE A 15 -5.487 0.207 2.698 1.00 0.00 C ATOM 161 C ILE A 15 -5.980 -0.971 1.856 1.00 0.00 C ATOM 162 O ILE A 15 -6.335 -0.801 0.691 1.00 0.00 O ATOM 163 CB ILE A 15 -4.005 0.122 3.067 1.00 0.00 C ATOM 164 CG1 ILE A 15 -3.552 1.380 3.811 1.00 0.00 C ATOM 165 CG2 ILE A 15 -3.147 -0.151 1.830 1.00 0.00 C ATOM 166 CD1 ILE A 15 -2.304 1.101 4.650 1.00 0.00 C ATOM 0 H ILE A 15 -5.779 0.454 4.759 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.588 1.102 2.084 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.870 -0.720 3.746 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.343 2.175 3.095 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.356 1.735 4.456 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.098 -0.207 2.120 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.449 -1.096 1.379 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.282 0.655 1.109 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.003 2.011 5.168 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.524 0.323 5.381 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.495 0.770 3.999 1.00 0.00 H new ATOM 178 N GLU A 16 -5.985 -2.141 2.478 1.00 0.00 N ATOM 179 CA GLU A 16 -6.429 -3.347 1.801 1.00 0.00 C ATOM 180 C GLU A 16 -7.793 -3.118 1.147 1.00 0.00 C ATOM 181 O GLU A 16 -7.910 -3.140 -0.078 1.00 0.00 O ATOM 182 CB GLU A 16 -6.476 -4.533 2.767 1.00 0.00 C ATOM 183 CG GLU A 16 -5.108 -4.772 3.409 1.00 0.00 C ATOM 184 CD GLU A 16 -4.669 -6.227 3.238 1.00 0.00 C ATOM 185 OE1 GLU A 16 -5.164 -7.065 4.022 1.00 0.00 O ATOM 186 OE2 GLU A 16 -3.848 -6.469 2.327 1.00 0.00 O ATOM 0 H GLU A 16 -5.688 -2.279 3.444 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.709 -3.586 1.019 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.218 -4.345 3.543 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.793 -5.429 2.233 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.369 -4.110 2.957 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.152 -4.524 4.469 1.00 0.00 H new ATOM 193 N ASN A 17 -8.790 -2.903 1.992 1.00 0.00 N ATOM 194 CA ASN A 17 -10.141 -2.670 1.512 1.00 0.00 C ATOM 195 C ASN A 17 -10.089 -1.782 0.267 1.00 0.00 C ATOM 196 O ASN A 17 -10.795 -2.033 -0.709 1.00 0.00 O ATOM 197 CB ASN A 17 -10.986 -1.955 2.568 1.00 0.00 C ATOM 198 CG ASN A 17 -11.896 -2.941 3.303 1.00 0.00 C ATOM 199 OD1 ASN A 17 -11.646 -3.041 4.605 1.00 0.00 O flip ATOM 200 ND2 ASN A 17 -12.767 -3.570 2.725 1.00 0.00 N flip ATOM 0 H ASN A 17 -8.689 -2.885 3.007 1.00 0.00 H new ATOM 0 HA ASN A 17 -10.590 -3.637 1.286 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.333 -1.455 3.283 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.590 -1.182 2.093 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.906 -3.445 1.722 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -13.356 -4.220 3.245 1.00 0.00 H new ATOM 207 N ARG A 18 -9.247 -0.762 0.341 1.00 0.00 N ATOM 208 CA ARG A 18 -9.093 0.164 -0.767 1.00 0.00 C ATOM 209 C ARG A 18 -8.698 -0.590 -2.038 1.00 0.00 C ATOM 210 O ARG A 18 -9.295 -0.388 -3.095 1.00 0.00 O ATOM 211 CB ARG A 18 -8.031 1.221 -0.458 1.00 0.00 C ATOM 212 CG ARG A 18 -8.643 2.624 -0.440 1.00 0.00 C ATOM 213 CD ARG A 18 -9.424 2.898 -1.727 1.00 0.00 C ATOM 214 NE ARG A 18 -8.693 3.874 -2.565 1.00 0.00 N ATOM 215 CZ ARG A 18 -9.244 4.554 -3.580 1.00 0.00 C ATOM 216 NH1 ARG A 18 -10.535 4.368 -3.889 1.00 0.00 N ATOM 217 NH2 ARG A 18 -8.504 5.419 -4.286 1.00 0.00 N ATOM 0 H ARG A 18 -8.664 -0.557 1.152 1.00 0.00 H new ATOM 0 HA ARG A 18 -10.051 0.662 -0.919 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.571 1.008 0.507 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.239 1.175 -1.205 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.305 2.725 0.420 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.854 3.367 -0.324 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.569 1.969 -2.279 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.415 3.283 -1.486 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.708 4.040 -2.357 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.098 3.709 -3.352 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.954 4.886 -4.661 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.521 5.560 -4.051 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.923 5.937 -5.059 1.00 0.00 H new ATOM 231 N ILE A 19 -7.694 -1.442 -1.895 1.00 0.00 N ATOM 232 CA ILE A 19 -7.212 -2.227 -3.018 1.00 0.00 C ATOM 233 C ILE A 19 -8.371 -3.036 -3.604 1.00 0.00 C ATOM 234 O ILE A 19 -8.478 -3.183 -4.821 1.00 0.00 O ATOM 235 CB ILE A 19 -6.014 -3.082 -2.600 1.00 0.00 C ATOM 236 CG1 ILE A 19 -4.824 -2.204 -2.207 1.00 0.00 C ATOM 237 CG2 ILE A 19 -5.649 -4.087 -3.695 1.00 0.00 C ATOM 238 CD1 ILE A 19 -3.861 -2.964 -1.292 1.00 0.00 C ATOM 0 H ILE A 19 -7.201 -1.606 -1.017 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.846 -1.574 -3.810 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.295 -3.656 -1.717 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.297 -1.876 -3.103 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.181 -1.307 -1.701 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.795 -4.682 -3.373 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.498 -4.744 -3.884 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.394 -3.552 -4.610 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.024 -2.318 -1.027 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.384 -3.269 -0.386 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.488 -3.847 -1.810 1.00 0.00 H new ATOM 250 N ILE A 20 -9.210 -3.541 -2.711 1.00 0.00 N ATOM 251 CA ILE A 20 -10.357 -4.331 -3.124 1.00 0.00 C ATOM 252 C ILE A 20 -11.227 -3.503 -4.071 1.00 0.00 C ATOM 253 O ILE A 20 -11.526 -3.936 -5.183 1.00 0.00 O ATOM 254 CB ILE A 20 -11.110 -4.862 -1.902 1.00 0.00 C ATOM 255 CG1 ILE A 20 -10.168 -5.620 -0.964 1.00 0.00 C ATOM 256 CG2 ILE A 20 -12.308 -5.714 -2.324 1.00 0.00 C ATOM 257 CD1 ILE A 20 -9.192 -6.492 -1.755 1.00 0.00 C ATOM 0 H ILE A 20 -9.118 -3.418 -1.703 1.00 0.00 H new ATOM 0 HA ILE A 20 -10.033 -5.212 -3.678 1.00 0.00 H new ATOM 0 HB ILE A 20 -11.501 -4.011 -1.345 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -9.612 -4.911 -0.350 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -10.749 -6.243 -0.284 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -12.826 -6.079 -1.437 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -12.992 -5.110 -2.920 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -11.962 -6.561 -2.916 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -8.534 -7.020 -1.065 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -9.750 -7.216 -2.349 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -8.595 -5.863 -2.416 1.00 0.00 H new ATOM 269 N GLU A 21 -11.609 -2.327 -3.596 1.00 0.00 N ATOM 270 CA GLU A 21 -12.439 -1.434 -4.387 1.00 0.00 C ATOM 271 C GLU A 21 -11.817 -1.214 -5.767 1.00 0.00 C ATOM 272 O GLU A 21 -12.530 -1.103 -6.763 1.00 0.00 O ATOM 273 CB GLU A 21 -12.655 -0.103 -3.665 1.00 0.00 C ATOM 274 CG GLU A 21 -13.675 -0.251 -2.535 1.00 0.00 C ATOM 275 CD GLU A 21 -15.101 -0.313 -3.088 1.00 0.00 C ATOM 276 OE1 GLU A 21 -15.466 0.630 -3.823 1.00 0.00 O ATOM 277 OE2 GLU A 21 -15.792 -1.303 -2.764 1.00 0.00 O ATOM 0 H GLU A 21 -11.359 -1.971 -2.673 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.415 -1.900 -4.520 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.708 0.253 -3.260 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -13.000 0.648 -4.375 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -13.463 -1.155 -1.965 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -13.584 0.589 -1.846 1.00 0.00 H new ATOM 284 N LEU A 22 -10.493 -1.159 -5.783 1.00 0.00 N ATOM 285 CA LEU A 22 -9.767 -0.955 -7.025 1.00 0.00 C ATOM 286 C LEU A 22 -9.781 -2.251 -7.838 1.00 0.00 C ATOM 287 O LEU A 22 -10.267 -2.274 -8.967 1.00 0.00 O ATOM 288 CB LEU A 22 -8.361 -0.422 -6.742 1.00 0.00 C ATOM 289 CG LEU A 22 -8.168 1.086 -6.915 1.00 0.00 C ATOM 290 CD1 LEU A 22 -7.541 1.706 -5.665 1.00 0.00 C ATOM 291 CD2 LEU A 22 -7.357 1.394 -8.176 1.00 0.00 C ATOM 0 H LEU A 22 -9.904 -1.252 -4.955 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.256 -0.193 -7.631 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.092 -0.688 -5.720 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.660 -0.936 -7.400 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.149 1.543 -7.043 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.415 2.778 -5.815 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.192 1.533 -4.808 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.569 1.249 -5.480 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.234 2.473 -8.275 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.377 0.923 -8.102 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.881 1.007 -9.050 1.00 0.00 H new ATOM 303 N CYS A 23 -9.242 -3.299 -7.231 1.00 0.00 N ATOM 304 CA CYS A 23 -9.186 -4.595 -7.885 1.00 0.00 C ATOM 305 C CYS A 23 -10.556 -4.880 -8.504 1.00 0.00 C ATOM 306 O CYS A 23 -10.647 -5.532 -9.543 1.00 0.00 O ATOM 307 CB CYS A 23 -8.757 -5.699 -6.916 1.00 0.00 C ATOM 308 SG CYS A 23 -7.086 -5.344 -6.262 1.00 0.00 S ATOM 0 H CYS A 23 -8.840 -3.276 -6.294 1.00 0.00 H new ATOM 0 HA CYS A 23 -8.430 -4.577 -8.670 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -9.470 -5.771 -6.095 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -8.760 -6.663 -7.425 1.00 0.00 H new ATOM 0 HG CYS A 23 -7.090 -4.189 -5.665 1.00 0.00 H new ATOM 314 N HIS A 24 -11.586 -4.377 -7.841 1.00 0.00 N ATOM 315 CA HIS A 24 -12.946 -4.569 -8.313 1.00 0.00 C ATOM 316 C HIS A 24 -13.222 -3.622 -9.482 1.00 0.00 C ATOM 317 O HIS A 24 -13.855 -4.008 -10.464 1.00 0.00 O ATOM 318 CB HIS A 24 -13.948 -4.405 -7.168 1.00 0.00 C ATOM 319 CG HIS A 24 -14.378 -5.707 -6.537 1.00 0.00 C ATOM 320 ND1 HIS A 24 -14.694 -6.832 -7.280 1.00 0.00 N ATOM 321 CD2 HIS A 24 -14.541 -6.052 -5.228 1.00 0.00 C ATOM 322 CE1 HIS A 24 -15.031 -7.804 -6.444 1.00 0.00 C ATOM 323 NE2 HIS A 24 -14.936 -7.318 -5.173 1.00 0.00 N ATOM 0 H HIS A 24 -11.506 -3.836 -6.980 1.00 0.00 H new ATOM 0 HA HIS A 24 -13.066 -5.588 -8.680 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -13.506 -3.770 -6.400 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -14.830 -3.886 -7.542 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -14.377 -5.405 -4.379 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -15.328 -8.805 -6.721 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -15.136 -7.841 -4.321 1.00 0.00 H new ATOM 331 N GLN A 25 -12.733 -2.399 -9.339 1.00 0.00 N ATOM 332 CA GLN A 25 -12.918 -1.393 -10.371 1.00 0.00 C ATOM 333 C GLN A 25 -12.250 -1.839 -11.674 1.00 0.00 C ATOM 334 O GLN A 25 -12.794 -1.631 -12.757 1.00 0.00 O ATOM 335 CB GLN A 25 -12.380 -0.035 -9.917 1.00 0.00 C ATOM 336 CG GLN A 25 -13.521 0.897 -9.505 1.00 0.00 C ATOM 337 CD GLN A 25 -14.565 1.012 -10.618 1.00 0.00 C ATOM 338 OE1 GLN A 25 -14.325 1.576 -11.673 1.00 0.00 O ATOM 339 NE2 GLN A 25 -15.732 0.447 -10.326 1.00 0.00 N ATOM 0 H GLN A 25 -12.209 -2.082 -8.524 1.00 0.00 H new ATOM 0 HA GLN A 25 -13.987 -1.281 -10.553 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.697 -0.172 -9.079 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.806 0.421 -10.724 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -13.992 0.521 -8.597 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.123 1.884 -9.272 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -15.866 -0.009 -9.424 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -16.493 0.469 -11.004 1.00 0.00 H new ATOM 348 N PHE A 26 -11.081 -2.445 -11.525 1.00 0.00 N ATOM 349 CA PHE A 26 -10.334 -2.922 -12.675 1.00 0.00 C ATOM 350 C PHE A 26 -10.335 -4.451 -12.734 1.00 0.00 C ATOM 351 O PHE A 26 -9.583 -5.104 -12.013 1.00 0.00 O ATOM 352 CB PHE A 26 -8.894 -2.431 -12.508 1.00 0.00 C ATOM 353 CG PHE A 26 -8.762 -0.910 -12.416 1.00 0.00 C ATOM 354 CD1 PHE A 26 -9.074 -0.269 -11.257 1.00 0.00 C ATOM 355 CD2 PHE A 26 -8.333 -0.197 -13.492 1.00 0.00 C ATOM 356 CE1 PHE A 26 -8.951 1.143 -11.171 1.00 0.00 C ATOM 357 CE2 PHE A 26 -8.211 1.215 -13.406 1.00 0.00 C ATOM 358 CZ PHE A 26 -8.522 1.855 -12.248 1.00 0.00 C ATOM 0 H PHE A 26 -10.633 -2.616 -10.625 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.787 -2.549 -13.594 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.471 -2.877 -11.608 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.300 -2.787 -13.350 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -9.415 -0.834 -10.402 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -8.085 -0.705 -14.412 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -9.198 1.652 -10.251 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -7.871 1.781 -14.261 1.00 0.00 H new ATOM 0 HZ PHE A 26 -8.429 2.929 -12.183 1.00 0.00 H new ATOM 368 N PRO A 27 -11.211 -4.991 -13.624 1.00 0.00 N ATOM 369 CA PRO A 27 -11.320 -6.430 -13.786 1.00 0.00 C ATOM 370 C PRO A 27 -10.129 -6.986 -14.570 1.00 0.00 C ATOM 371 O PRO A 27 -10.015 -8.196 -14.758 1.00 0.00 O ATOM 372 CB PRO A 27 -12.648 -6.647 -14.493 1.00 0.00 C ATOM 373 CG PRO A 27 -13.014 -5.308 -15.113 1.00 0.00 C ATOM 374 CD PRO A 27 -12.117 -4.248 -14.495 1.00 0.00 C ATOM 0 HA PRO A 27 -11.298 -6.962 -12.835 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.562 -7.420 -15.256 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.415 -6.975 -13.791 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -12.880 -5.339 -16.194 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -14.063 -5.076 -14.928 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -11.569 -3.698 -15.260 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.697 -3.517 -13.932 1.00 0.00 H new ATOM 382 N HIS A 28 -9.271 -6.074 -15.005 1.00 0.00 N ATOM 383 CA HIS A 28 -8.093 -6.458 -15.764 1.00 0.00 C ATOM 384 C HIS A 28 -6.857 -6.382 -14.865 1.00 0.00 C ATOM 385 O HIS A 28 -5.837 -7.008 -15.151 1.00 0.00 O ATOM 386 CB HIS A 28 -7.959 -5.606 -17.028 1.00 0.00 C ATOM 387 CG HIS A 28 -8.838 -4.378 -17.036 1.00 0.00 C ATOM 388 ND1 HIS A 28 -8.489 -3.203 -16.393 1.00 0.00 N ATOM 389 CD2 HIS A 28 -10.052 -4.154 -17.616 1.00 0.00 C ATOM 390 CE1 HIS A 28 -9.458 -2.319 -16.583 1.00 0.00 C ATOM 391 NE2 HIS A 28 -10.426 -2.911 -17.341 1.00 0.00 N ATOM 0 H HIS A 28 -9.368 -5.071 -14.846 1.00 0.00 H new ATOM 0 HA HIS A 28 -8.193 -7.490 -16.100 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -6.919 -5.297 -17.137 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -8.202 -6.220 -17.895 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -10.614 -4.868 -18.200 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -9.478 -1.308 -16.204 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -11.294 -2.471 -17.646 1.00 0.00 H new ATOM 399 N GLY A 29 -6.988 -5.610 -13.796 1.00 0.00 N ATOM 400 CA GLY A 29 -5.895 -5.445 -12.854 1.00 0.00 C ATOM 401 C GLY A 29 -5.461 -3.980 -12.769 1.00 0.00 C ATOM 402 O GLY A 29 -5.924 -3.146 -13.545 1.00 0.00 O ATOM 0 H GLY A 29 -7.835 -5.092 -13.562 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.203 -5.794 -11.869 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.050 -6.061 -13.161 1.00 0.00 H new ATOM 406 N ILE A 30 -4.577 -3.712 -11.819 1.00 0.00 N ATOM 407 CA ILE A 30 -4.075 -2.362 -11.623 1.00 0.00 C ATOM 408 C ILE A 30 -2.547 -2.397 -11.545 1.00 0.00 C ATOM 409 O ILE A 30 -1.968 -3.382 -11.091 1.00 0.00 O ATOM 410 CB ILE A 30 -4.738 -1.716 -10.405 1.00 0.00 C ATOM 411 CG1 ILE A 30 -4.246 -2.359 -9.107 1.00 0.00 C ATOM 412 CG2 ILE A 30 -6.263 -1.759 -10.524 1.00 0.00 C ATOM 413 CD1 ILE A 30 -5.080 -1.891 -7.913 1.00 0.00 C ATOM 0 H ILE A 30 -4.195 -4.406 -11.177 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.337 -1.731 -12.472 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.447 -0.666 -10.374 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.301 -3.444 -9.191 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.198 -2.105 -8.945 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.710 -1.293 -9.645 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.574 -1.219 -11.418 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.593 -2.795 -10.593 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.709 -2.363 -7.003 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.003 -0.808 -7.817 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -6.123 -2.168 -8.067 1.00 0.00 H new ATOM 425 N THR A 31 -1.939 -1.309 -11.995 1.00 0.00 N ATOM 426 CA THR A 31 -0.490 -1.202 -11.982 1.00 0.00 C ATOM 427 C THR A 31 -0.029 -0.352 -10.797 1.00 0.00 C ATOM 428 O THR A 31 -0.691 0.617 -10.428 1.00 0.00 O ATOM 429 CB THR A 31 -0.044 -0.650 -13.337 1.00 0.00 C ATOM 430 OG1 THR A 31 -0.748 0.584 -13.457 1.00 0.00 O ATOM 431 CG2 THR A 31 -0.559 -1.488 -14.509 1.00 0.00 C ATOM 0 H THR A 31 -2.424 -0.494 -12.371 1.00 0.00 H new ATOM 0 HA THR A 31 -0.023 -2.177 -11.843 1.00 0.00 H new ATOM 0 HB THR A 31 1.045 -0.608 -13.372 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.516 1.011 -14.308 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.214 -1.053 -15.447 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.182 -2.507 -14.421 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.649 -1.502 -14.495 1.00 0.00 H new ATOM 439 N ASP A 32 1.104 -0.745 -10.232 1.00 0.00 N ATOM 440 CA ASP A 32 1.662 -0.030 -9.097 1.00 0.00 C ATOM 441 C ASP A 32 1.500 1.475 -9.317 1.00 0.00 C ATOM 442 O ASP A 32 1.370 2.236 -8.360 1.00 0.00 O ATOM 443 CB ASP A 32 3.154 -0.327 -8.938 1.00 0.00 C ATOM 444 CG ASP A 32 3.944 0.727 -8.160 1.00 0.00 C ATOM 445 OD1 ASP A 32 3.537 1.008 -7.012 1.00 0.00 O ATOM 446 OD2 ASP A 32 4.937 1.228 -8.731 1.00 0.00 O ATOM 0 H ASP A 32 1.650 -1.550 -10.540 1.00 0.00 H new ATOM 0 HA ASP A 32 1.132 -0.355 -8.201 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.266 -1.288 -8.435 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.596 -0.432 -9.929 1.00 0.00 H new ATOM 451 N GLN A 33 1.513 1.860 -10.585 1.00 0.00 N ATOM 452 CA GLN A 33 1.370 3.260 -10.944 1.00 0.00 C ATOM 453 C GLN A 33 -0.012 3.774 -10.534 1.00 0.00 C ATOM 454 O GLN A 33 -0.123 4.799 -9.862 1.00 0.00 O ATOM 455 CB GLN A 33 1.612 3.471 -12.440 1.00 0.00 C ATOM 456 CG GLN A 33 3.028 3.990 -12.698 1.00 0.00 C ATOM 457 CD GLN A 33 3.088 4.795 -13.999 1.00 0.00 C ATOM 458 OE1 GLN A 33 2.106 4.954 -14.706 1.00 0.00 O ATOM 459 NE2 GLN A 33 4.291 5.291 -14.273 1.00 0.00 N ATOM 0 H GLN A 33 1.620 1.226 -11.377 1.00 0.00 H new ATOM 0 HA GLN A 33 2.124 3.832 -10.404 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.462 2.532 -12.972 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.884 4.180 -12.834 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.348 4.615 -11.864 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.722 3.152 -12.752 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.070 5.120 -13.637 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.435 5.843 -15.119 1.00 0.00 H new ATOM 468 N VAL A 34 -1.030 3.039 -10.955 1.00 0.00 N ATOM 469 CA VAL A 34 -2.400 3.408 -10.641 1.00 0.00 C ATOM 470 C VAL A 34 -2.520 3.672 -9.138 1.00 0.00 C ATOM 471 O VAL A 34 -2.746 4.806 -8.720 1.00 0.00 O ATOM 472 CB VAL A 34 -3.360 2.325 -11.136 1.00 0.00 C ATOM 473 CG1 VAL A 34 -4.741 2.482 -10.496 1.00 0.00 C ATOM 474 CG2 VAL A 34 -3.459 2.336 -12.663 1.00 0.00 C ATOM 0 H VAL A 34 -0.934 2.189 -11.511 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.676 4.328 -11.156 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.958 1.358 -10.833 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.404 1.700 -10.865 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.651 2.401 -9.413 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.153 3.458 -10.754 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.148 1.556 -12.989 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.826 3.307 -12.997 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.474 2.153 -13.093 1.00 0.00 H new ATOM 484 N ILE A 35 -2.365 2.605 -8.368 1.00 0.00 N ATOM 485 CA ILE A 35 -2.453 2.707 -6.922 1.00 0.00 C ATOM 486 C ILE A 35 -1.672 3.937 -6.453 1.00 0.00 C ATOM 487 O ILE A 35 -1.984 4.515 -5.413 1.00 0.00 O ATOM 488 CB ILE A 35 -1.998 1.403 -6.264 1.00 0.00 C ATOM 489 CG1 ILE A 35 -2.928 0.247 -6.639 1.00 0.00 C ATOM 490 CG2 ILE A 35 -1.873 1.568 -4.748 1.00 0.00 C ATOM 491 CD1 ILE A 35 -2.157 -1.073 -6.717 1.00 0.00 C ATOM 0 H ILE A 35 -2.179 1.665 -8.719 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.489 2.849 -6.613 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.007 1.156 -6.644 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.726 0.163 -5.901 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.402 0.453 -7.599 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.548 0.626 -4.305 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.142 2.345 -4.526 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.840 1.850 -4.332 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.841 -1.878 -6.985 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.376 -0.994 -7.473 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.705 -1.288 -5.749 1.00 0.00 H new ATOM 503 N GLN A 36 -0.672 4.300 -7.243 1.00 0.00 N ATOM 504 CA GLN A 36 0.155 5.450 -6.921 1.00 0.00 C ATOM 505 C GLN A 36 -0.660 6.739 -7.035 1.00 0.00 C ATOM 506 O GLN A 36 -0.696 7.540 -6.103 1.00 0.00 O ATOM 507 CB GLN A 36 1.393 5.503 -7.819 1.00 0.00 C ATOM 508 CG GLN A 36 2.633 5.909 -7.021 1.00 0.00 C ATOM 509 CD GLN A 36 3.913 5.591 -7.796 1.00 0.00 C ATOM 510 OE1 GLN A 36 4.134 6.062 -8.900 1.00 0.00 O ATOM 511 NE2 GLN A 36 4.742 4.769 -7.159 1.00 0.00 N ATOM 0 H GLN A 36 -0.416 3.818 -8.105 1.00 0.00 H new ATOM 0 HA GLN A 36 0.497 5.350 -5.891 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.555 4.528 -8.278 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.229 6.214 -8.629 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.594 6.975 -6.799 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.643 5.385 -6.065 1.00 0.00 H new ATOM 0 HE21 GLN A 36 4.496 4.411 -6.236 1.00 0.00 H new ATOM 0 HE22 GLN A 36 5.624 4.497 -7.593 1.00 0.00 H new ATOM 520 N ASN A 37 -1.296 6.900 -8.187 1.00 0.00 N ATOM 521 CA ASN A 37 -2.109 8.078 -8.435 1.00 0.00 C ATOM 522 C ASN A 37 -3.371 8.013 -7.572 1.00 0.00 C ATOM 523 O ASN A 37 -3.994 9.037 -7.299 1.00 0.00 O ATOM 524 CB ASN A 37 -2.542 8.150 -9.901 1.00 0.00 C ATOM 525 CG ASN A 37 -2.093 9.464 -10.542 1.00 0.00 C ATOM 526 OD1 ASN A 37 -2.027 10.504 -9.906 1.00 0.00 O ATOM 527 ND2 ASN A 37 -1.789 9.360 -11.832 1.00 0.00 N ATOM 0 H ASN A 37 -1.264 6.234 -8.959 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.512 8.957 -8.192 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -2.118 7.310 -10.451 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.626 8.060 -9.968 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.478 10.182 -12.351 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.866 8.459 -12.303 1.00 0.00 H new ATOM 534 N GLU A 38 -3.709 6.798 -7.166 1.00 0.00 N ATOM 535 CA GLU A 38 -4.885 6.586 -6.340 1.00 0.00 C ATOM 536 C GLU A 38 -4.552 6.836 -4.867 1.00 0.00 C ATOM 537 O GLU A 38 -5.340 7.439 -4.142 1.00 0.00 O ATOM 538 CB GLU A 38 -5.451 5.179 -6.542 1.00 0.00 C ATOM 539 CG GLU A 38 -5.845 4.951 -8.003 1.00 0.00 C ATOM 540 CD GLU A 38 -6.844 6.011 -8.473 1.00 0.00 C ATOM 541 OE1 GLU A 38 -8.030 5.877 -8.101 1.00 0.00 O ATOM 542 OE2 GLU A 38 -6.399 6.931 -9.193 1.00 0.00 O ATOM 0 H GLU A 38 -3.189 5.951 -7.394 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.652 7.298 -6.645 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.710 4.438 -6.242 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.321 5.038 -5.901 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.955 4.980 -8.632 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.282 3.959 -8.115 1.00 0.00 H new ATOM 549 N MET A 39 -3.381 6.358 -4.470 1.00 0.00 N ATOM 550 CA MET A 39 -2.933 6.522 -3.097 1.00 0.00 C ATOM 551 C MET A 39 -1.420 6.739 -3.037 1.00 0.00 C ATOM 552 O MET A 39 -0.682 5.865 -2.584 1.00 0.00 O ATOM 553 CB MET A 39 -3.304 5.279 -2.287 1.00 0.00 C ATOM 554 CG MET A 39 -4.747 4.852 -2.567 1.00 0.00 C ATOM 555 SD MET A 39 -5.337 3.797 -1.254 1.00 0.00 S ATOM 556 CE MET A 39 -4.733 2.219 -1.829 1.00 0.00 C ATOM 0 H MET A 39 -2.730 5.858 -5.075 1.00 0.00 H new ATOM 0 HA MET A 39 -3.424 7.400 -2.676 1.00 0.00 H new ATOM 0 HB2 MET A 39 -2.625 4.463 -2.535 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.181 5.484 -1.223 1.00 0.00 H new ATOM 0 HG2 MET A 39 -5.385 5.732 -2.652 1.00 0.00 H new ATOM 0 HG3 MET A 39 -4.801 4.325 -3.520 1.00 0.00 H new ATOM 0 HE1 MET A 39 -4.922 1.459 -1.071 1.00 0.00 H new ATOM 0 HE2 MET A 39 -5.246 1.947 -2.751 1.00 0.00 H new ATOM 0 HE3 MET A 39 -3.661 2.286 -2.016 1.00 0.00 H new ATOM 566 N PRO A 40 -0.991 7.939 -3.512 1.00 0.00 N ATOM 567 CA PRO A 40 0.421 8.281 -3.516 1.00 0.00 C ATOM 568 C PRO A 40 0.905 8.627 -2.106 1.00 0.00 C ATOM 569 O PRO A 40 2.081 8.927 -1.906 1.00 0.00 O ATOM 570 CB PRO A 40 0.541 9.444 -4.487 1.00 0.00 C ATOM 571 CG PRO A 40 -0.862 10.010 -4.635 1.00 0.00 C ATOM 572 CD PRO A 40 -1.837 8.998 -4.055 1.00 0.00 C ATOM 0 HA PRO A 40 1.054 7.451 -3.829 1.00 0.00 H new ATOM 0 HB2 PRO A 40 1.229 10.200 -4.108 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.931 9.111 -5.449 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.946 10.963 -4.113 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.088 10.200 -5.684 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.458 9.446 -3.279 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.511 8.613 -4.820 1.00 0.00 H new ATOM 580 N HIS A 41 -0.026 8.574 -1.165 1.00 0.00 N ATOM 581 CA HIS A 41 0.291 8.878 0.220 1.00 0.00 C ATOM 582 C HIS A 41 0.733 7.601 0.937 1.00 0.00 C ATOM 583 O HIS A 41 1.439 7.662 1.942 1.00 0.00 O ATOM 584 CB HIS A 41 -0.889 9.566 0.909 1.00 0.00 C ATOM 585 CG HIS A 41 -2.145 8.729 0.960 1.00 0.00 C ATOM 586 ND1 HIS A 41 -3.135 8.804 -0.004 1.00 0.00 N ATOM 587 CD2 HIS A 41 -2.559 7.798 1.867 1.00 0.00 C ATOM 588 CE1 HIS A 41 -4.098 7.953 0.319 1.00 0.00 C ATOM 589 NE2 HIS A 41 -3.740 7.331 1.479 1.00 0.00 N ATOM 0 H HIS A 41 -1.000 8.325 -1.335 1.00 0.00 H new ATOM 0 HA HIS A 41 1.122 9.583 0.260 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -0.599 9.829 1.926 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -1.107 10.498 0.388 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -2.018 7.493 2.751 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -5.007 7.782 -0.238 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -4.289 6.624 1.968 1.00 0.00 H new ATOM 597 N ILE A 42 0.300 6.474 0.392 1.00 0.00 N ATOM 598 CA ILE A 42 0.643 5.184 0.967 1.00 0.00 C ATOM 599 C ILE A 42 2.160 4.995 0.918 1.00 0.00 C ATOM 600 O ILE A 42 2.826 5.526 0.030 1.00 0.00 O ATOM 601 CB ILE A 42 -0.139 4.065 0.277 1.00 0.00 C ATOM 602 CG1 ILE A 42 -1.643 4.344 0.313 1.00 0.00 C ATOM 603 CG2 ILE A 42 0.206 2.702 0.881 1.00 0.00 C ATOM 604 CD1 ILE A 42 -2.275 3.780 1.587 1.00 0.00 C ATOM 0 H ILE A 42 -0.286 6.427 -0.442 1.00 0.00 H new ATOM 0 HA ILE A 42 0.351 5.145 2.016 1.00 0.00 H new ATOM 0 HB ILE A 42 0.158 4.037 -0.771 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.818 5.419 0.261 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.120 3.900 -0.561 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.364 1.924 0.373 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.272 2.509 0.759 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.044 2.700 1.942 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.344 3.992 1.587 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.119 2.702 1.624 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.813 4.244 2.458 1.00 0.00 H new ATOM 616 N GLU A 43 2.662 4.238 1.882 1.00 0.00 N ATOM 617 CA GLU A 43 4.088 3.973 1.959 1.00 0.00 C ATOM 618 C GLU A 43 4.464 2.815 1.032 1.00 0.00 C ATOM 619 O GLU A 43 3.603 2.036 0.626 1.00 0.00 O ATOM 620 CB GLU A 43 4.515 3.682 3.399 1.00 0.00 C ATOM 621 CG GLU A 43 5.120 4.925 4.054 1.00 0.00 C ATOM 622 CD GLU A 43 6.599 4.708 4.381 1.00 0.00 C ATOM 623 OE1 GLU A 43 7.392 4.660 3.417 1.00 0.00 O ATOM 624 OE2 GLU A 43 6.902 4.595 5.588 1.00 0.00 O ATOM 0 H GLU A 43 2.106 3.800 2.617 1.00 0.00 H new ATOM 0 HA GLU A 43 4.621 4.865 1.630 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.654 3.345 3.976 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.243 2.871 3.409 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.013 5.780 3.387 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.573 5.162 4.967 1.00 0.00 H new ATOM 631 N ALA A 44 5.750 2.739 0.723 1.00 0.00 N ATOM 632 CA ALA A 44 6.251 1.690 -0.149 1.00 0.00 C ATOM 633 C ALA A 44 6.021 0.330 0.513 1.00 0.00 C ATOM 634 O ALA A 44 5.722 -0.652 -0.165 1.00 0.00 O ATOM 635 CB ALA A 44 7.727 1.945 -0.460 1.00 0.00 C ATOM 0 H ALA A 44 6.461 3.387 1.061 1.00 0.00 H new ATOM 0 HA ALA A 44 5.714 1.690 -1.097 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.102 1.158 -1.114 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.833 2.910 -0.956 1.00 0.00 H new ATOM 0 HB3 ALA A 44 8.299 1.949 0.468 1.00 0.00 H new ATOM 641 N GLN A 45 6.168 0.316 1.830 1.00 0.00 N ATOM 642 CA GLN A 45 5.981 -0.907 2.591 1.00 0.00 C ATOM 643 C GLN A 45 4.491 -1.161 2.829 1.00 0.00 C ATOM 644 O GLN A 45 4.027 -2.296 2.730 1.00 0.00 O ATOM 645 CB GLN A 45 6.746 -0.852 3.915 1.00 0.00 C ATOM 646 CG GLN A 45 8.115 -1.523 3.784 1.00 0.00 C ATOM 647 CD GLN A 45 9.071 -1.035 4.874 1.00 0.00 C ATOM 648 OE1 GLN A 45 9.172 0.146 5.164 1.00 0.00 O ATOM 649 NE2 GLN A 45 9.765 -2.006 5.460 1.00 0.00 N ATOM 0 H GLN A 45 6.415 1.133 2.389 1.00 0.00 H new ATOM 0 HA GLN A 45 6.384 -1.738 2.011 1.00 0.00 H new ATOM 0 HB2 GLN A 45 6.873 0.186 4.223 1.00 0.00 H new ATOM 0 HB3 GLN A 45 6.167 -1.347 4.695 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.002 -2.605 3.852 1.00 0.00 H new ATOM 0 HG3 GLN A 45 8.537 -1.308 2.802 1.00 0.00 H new ATOM 0 HE21 GLN A 45 9.632 -2.975 5.169 1.00 0.00 H new ATOM 0 HE22 GLN A 45 10.430 -1.782 6.200 1.00 0.00 H new ATOM 658 N GLN A 46 3.782 -0.085 3.140 1.00 0.00 N ATOM 659 CA GLN A 46 2.355 -0.177 3.394 1.00 0.00 C ATOM 660 C GLN A 46 1.628 -0.705 2.155 1.00 0.00 C ATOM 661 O GLN A 46 0.715 -1.521 2.267 1.00 0.00 O ATOM 662 CB GLN A 46 1.787 1.176 3.827 1.00 0.00 C ATOM 663 CG GLN A 46 2.426 1.645 5.136 1.00 0.00 C ATOM 664 CD GLN A 46 1.861 0.874 6.330 1.00 0.00 C ATOM 665 OE1 GLN A 46 2.472 -0.041 6.856 1.00 0.00 O ATOM 666 NE2 GLN A 46 0.663 1.294 6.727 1.00 0.00 N ATOM 0 H GLN A 46 4.170 0.855 3.222 1.00 0.00 H new ATOM 0 HA GLN A 46 2.196 -0.880 4.212 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.964 1.916 3.046 1.00 0.00 H new ATOM 0 HB3 GLN A 46 0.707 1.098 3.953 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.506 1.506 5.087 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.247 2.712 5.270 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.207 2.066 6.242 1.00 0.00 H new ATOM 0 HE22 GLN A 46 0.201 0.844 7.517 1.00 0.00 H new ATOM 675 N ARG A 47 2.062 -0.217 1.001 1.00 0.00 N ATOM 676 CA ARG A 47 1.464 -0.629 -0.257 1.00 0.00 C ATOM 677 C ARG A 47 1.753 -2.108 -0.522 1.00 0.00 C ATOM 678 O ARG A 47 0.840 -2.882 -0.806 1.00 0.00 O ATOM 679 CB ARG A 47 2.002 0.205 -1.422 1.00 0.00 C ATOM 680 CG ARG A 47 0.919 1.132 -1.978 1.00 0.00 C ATOM 681 CD ARG A 47 1.258 1.578 -3.402 1.00 0.00 C ATOM 682 NE ARG A 47 1.555 3.028 -3.420 1.00 0.00 N ATOM 683 CZ ARG A 47 2.739 3.556 -3.081 1.00 0.00 C ATOM 684 NH1 ARG A 47 3.744 2.757 -2.695 1.00 0.00 N ATOM 685 NH2 ARG A 47 2.919 4.883 -3.127 1.00 0.00 N ATOM 0 H ARG A 47 2.820 0.459 0.912 1.00 0.00 H new ATOM 0 HA ARG A 47 0.388 -0.473 -0.180 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.855 0.796 -1.088 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.361 -0.455 -2.211 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.042 0.618 -1.973 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.817 2.005 -1.334 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.116 1.018 -3.773 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.423 1.361 -4.069 1.00 0.00 H new ATOM 0 HE ARG A 47 0.812 3.665 -3.708 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.608 1.747 -2.659 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.645 3.159 -2.437 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.155 5.491 -3.420 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.820 5.285 -2.869 1.00 0.00 H new ATOM 699 N ALA A 48 3.027 -2.457 -0.421 1.00 0.00 N ATOM 700 CA ALA A 48 3.448 -3.829 -0.647 1.00 0.00 C ATOM 701 C ALA A 48 2.767 -4.741 0.376 1.00 0.00 C ATOM 702 O ALA A 48 2.206 -5.775 0.015 1.00 0.00 O ATOM 703 CB ALA A 48 4.974 -3.913 -0.578 1.00 0.00 C ATOM 0 H ALA A 48 3.782 -1.813 -0.186 1.00 0.00 H new ATOM 0 HA ALA A 48 3.148 -4.164 -1.640 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.290 -4.942 -0.748 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.409 -3.269 -1.343 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.312 -3.587 0.406 1.00 0.00 H new ATOM 709 N VAL A 49 2.839 -4.326 1.632 1.00 0.00 N ATOM 710 CA VAL A 49 2.237 -5.093 2.709 1.00 0.00 C ATOM 711 C VAL A 49 0.829 -5.526 2.296 1.00 0.00 C ATOM 712 O VAL A 49 0.567 -6.716 2.125 1.00 0.00 O ATOM 713 CB VAL A 49 2.255 -4.279 4.005 1.00 0.00 C ATOM 714 CG1 VAL A 49 1.114 -4.700 4.933 1.00 0.00 C ATOM 715 CG2 VAL A 49 3.608 -4.399 4.709 1.00 0.00 C ATOM 0 H VAL A 49 3.305 -3.468 1.928 1.00 0.00 H new ATOM 0 HA VAL A 49 2.813 -5.998 2.901 1.00 0.00 H new ATOM 0 HB VAL A 49 2.105 -3.231 3.745 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.150 -4.106 5.846 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.159 -4.538 4.432 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.219 -5.756 5.182 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.594 -3.811 5.627 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.801 -5.444 4.950 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.394 -4.027 4.052 1.00 0.00 H new ATOM 725 N ALA A 50 -0.040 -4.538 2.146 1.00 0.00 N ATOM 726 CA ALA A 50 -1.415 -4.802 1.755 1.00 0.00 C ATOM 727 C ALA A 50 -1.427 -5.792 0.589 1.00 0.00 C ATOM 728 O ALA A 50 -2.141 -6.793 0.628 1.00 0.00 O ATOM 729 CB ALA A 50 -2.109 -3.484 1.408 1.00 0.00 C ATOM 0 H ALA A 50 0.181 -3.552 2.288 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.968 -5.255 2.578 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.140 -3.682 1.115 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.099 -2.827 2.278 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.583 -3.002 0.584 1.00 0.00 H new ATOM 735 N ILE A 51 -0.629 -5.479 -0.421 1.00 0.00 N ATOM 736 CA ILE A 51 -0.539 -6.328 -1.596 1.00 0.00 C ATOM 737 C ILE A 51 -0.212 -7.759 -1.162 1.00 0.00 C ATOM 738 O ILE A 51 -1.003 -8.674 -1.381 1.00 0.00 O ATOM 739 CB ILE A 51 0.456 -5.748 -2.602 1.00 0.00 C ATOM 740 CG1 ILE A 51 -0.156 -4.568 -3.361 1.00 0.00 C ATOM 741 CG2 ILE A 51 0.973 -6.832 -3.550 1.00 0.00 C ATOM 742 CD1 ILE A 51 0.928 -3.743 -4.058 1.00 0.00 C ATOM 0 H ILE A 51 -0.038 -4.648 -0.450 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.497 -6.363 -2.115 1.00 0.00 H new ATOM 0 HB ILE A 51 1.315 -5.366 -2.050 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.869 -4.936 -4.099 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.712 -3.935 -2.669 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.679 -6.392 -4.255 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.473 -7.611 -2.974 1.00 0.00 H new ATOM 0 HG23 ILE A 51 0.136 -7.266 -4.097 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.466 -2.911 -4.590 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.625 -3.356 -3.315 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.466 -4.373 -4.767 1.00 0.00 H new ATOM 754 N ASN A 52 0.957 -7.906 -0.555 1.00 0.00 N ATOM 755 CA ASN A 52 1.399 -9.209 -0.088 1.00 0.00 C ATOM 756 C ASN A 52 0.264 -9.880 0.688 1.00 0.00 C ATOM 757 O ASN A 52 -0.089 -11.026 0.412 1.00 0.00 O ATOM 758 CB ASN A 52 2.601 -9.079 0.850 1.00 0.00 C ATOM 759 CG ASN A 52 3.667 -10.127 0.523 1.00 0.00 C ATOM 760 OD1 ASN A 52 3.423 -11.104 -0.167 1.00 0.00 O ATOM 761 ND2 ASN A 52 4.858 -9.871 1.055 1.00 0.00 N ATOM 0 H ASN A 52 1.611 -7.144 -0.376 1.00 0.00 H new ATOM 0 HA ASN A 52 1.683 -9.801 -0.958 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.029 -8.080 0.763 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.275 -9.197 1.883 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.636 -10.511 0.895 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.994 -9.035 1.623 1.00 0.00 H new ATOM 768 N ARG A 53 -0.277 -9.138 1.643 1.00 0.00 N ATOM 769 CA ARG A 53 -1.365 -9.647 2.460 1.00 0.00 C ATOM 770 C ARG A 53 -2.480 -10.204 1.573 1.00 0.00 C ATOM 771 O ARG A 53 -2.848 -11.372 1.693 1.00 0.00 O ATOM 772 CB ARG A 53 -1.939 -8.549 3.359 1.00 0.00 C ATOM 773 CG ARG A 53 -1.754 -8.898 4.837 1.00 0.00 C ATOM 774 CD ARG A 53 -0.605 -8.095 5.451 1.00 0.00 C ATOM 775 NE ARG A 53 0.291 -8.994 6.212 1.00 0.00 N ATOM 776 CZ ARG A 53 1.181 -9.822 5.647 1.00 0.00 C ATOM 777 NH1 ARG A 53 1.299 -9.870 4.313 1.00 0.00 N ATOM 778 NH2 ARG A 53 1.953 -10.602 6.416 1.00 0.00 N ATOM 0 H ARG A 53 0.018 -8.188 1.869 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.964 -10.443 3.088 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.447 -7.601 3.141 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.999 -8.415 3.143 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.676 -8.694 5.381 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.553 -9.964 4.940 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.044 -7.589 4.666 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.002 -7.322 6.109 1.00 0.00 H new ATOM 0 HE ARG A 53 0.227 -8.983 7.230 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.712 -9.276 3.727 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.976 -10.500 3.883 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.863 -10.566 7.431 1.00 0.00 H new ATOM 0 HH22 ARG A 53 2.630 -11.232 5.986 1.00 0.00 H new ATOM 792 N LEU A 54 -2.985 -9.344 0.702 1.00 0.00 N ATOM 793 CA LEU A 54 -4.051 -9.736 -0.205 1.00 0.00 C ATOM 794 C LEU A 54 -3.576 -10.909 -1.066 1.00 0.00 C ATOM 795 O LEU A 54 -4.290 -11.898 -1.221 1.00 0.00 O ATOM 796 CB LEU A 54 -4.533 -8.532 -1.018 1.00 0.00 C ATOM 797 CG LEU A 54 -5.114 -7.369 -0.212 1.00 0.00 C ATOM 798 CD1 LEU A 54 -5.920 -6.428 -1.111 1.00 0.00 C ATOM 799 CD2 LEU A 54 -5.940 -7.879 0.970 1.00 0.00 C ATOM 0 H LEU A 54 -2.676 -8.377 0.605 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.920 -10.082 0.355 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.696 -8.158 -1.607 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.291 -8.874 -1.723 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.286 -6.792 0.200 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.322 -5.610 -0.514 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.272 -6.025 -1.889 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.740 -6.979 -1.571 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.341 -7.032 1.526 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.762 -8.493 0.602 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.306 -8.476 1.626 1.00 0.00 H new ATOM 811 N LEU A 55 -2.374 -10.759 -1.602 1.00 0.00 N ATOM 812 CA LEU A 55 -1.796 -11.793 -2.443 1.00 0.00 C ATOM 813 C LEU A 55 -1.956 -13.151 -1.756 1.00 0.00 C ATOM 814 O LEU A 55 -2.274 -14.146 -2.406 1.00 0.00 O ATOM 815 CB LEU A 55 -0.347 -11.449 -2.796 1.00 0.00 C ATOM 816 CG LEU A 55 -0.154 -10.312 -3.801 1.00 0.00 C ATOM 817 CD1 LEU A 55 1.329 -9.976 -3.969 1.00 0.00 C ATOM 818 CD2 LEU A 55 -0.822 -10.641 -5.137 1.00 0.00 C ATOM 0 H LEU A 55 -1.784 -9.937 -1.470 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.326 -11.852 -3.394 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.178 -11.188 -1.877 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.132 -12.344 -3.193 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.644 -9.421 -3.408 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.439 -9.165 -4.689 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.743 -9.668 -3.009 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.863 -10.855 -4.329 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.670 -9.816 -5.833 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.383 -11.549 -5.549 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.890 -10.792 -4.982 1.00 0.00 H new ATOM 830 N SER A 56 -1.727 -13.149 -0.451 1.00 0.00 N ATOM 831 CA SER A 56 -1.841 -14.368 0.331 1.00 0.00 C ATOM 832 C SER A 56 -3.307 -14.628 0.684 1.00 0.00 C ATOM 833 O SER A 56 -3.864 -15.662 0.317 1.00 0.00 O ATOM 834 CB SER A 56 -0.995 -14.289 1.603 1.00 0.00 C ATOM 835 OG SER A 56 -0.581 -15.576 2.051 1.00 0.00 O ATOM 0 H SER A 56 -1.463 -12.322 0.085 1.00 0.00 H new ATOM 0 HA SER A 56 -1.466 -15.196 -0.271 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.117 -13.671 1.416 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.569 -13.799 2.390 1.00 0.00 H new ATOM 0 HG SER A 56 -0.042 -15.482 2.864 1.00 0.00 H new ATOM 841 N MET A 57 -3.891 -13.671 1.391 1.00 0.00 N ATOM 842 CA MET A 57 -5.281 -13.784 1.798 1.00 0.00 C ATOM 843 C MET A 57 -6.139 -14.355 0.667 1.00 0.00 C ATOM 844 O MET A 57 -7.164 -14.986 0.919 1.00 0.00 O ATOM 845 CB MET A 57 -5.811 -12.403 2.193 1.00 0.00 C ATOM 846 CG MET A 57 -5.149 -11.911 3.482 1.00 0.00 C ATOM 847 SD MET A 57 -6.380 -11.228 4.578 1.00 0.00 S ATOM 848 CE MET A 57 -5.806 -9.541 4.678 1.00 0.00 C ATOM 0 H MET A 57 -3.427 -12.814 1.692 1.00 0.00 H new ATOM 0 HA MET A 57 -5.337 -14.462 2.649 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.621 -11.693 1.388 1.00 0.00 H new ATOM 0 HB3 MET A 57 -6.891 -12.449 2.329 1.00 0.00 H new ATOM 0 HG2 MET A 57 -4.631 -12.735 3.972 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.398 -11.156 3.250 1.00 0.00 H new ATOM 0 HE1 MET A 57 -6.659 -8.864 4.644 1.00 0.00 H new ATOM 0 HE2 MET A 57 -5.265 -9.396 5.613 1.00 0.00 H new ATOM 0 HE3 MET A 57 -5.143 -9.332 3.839 1.00 0.00 H new ATOM 858 N GLY A 58 -5.687 -14.113 -0.555 1.00 0.00 N ATOM 859 CA GLY A 58 -6.401 -14.595 -1.725 1.00 0.00 C ATOM 860 C GLY A 58 -7.440 -13.575 -2.193 1.00 0.00 C ATOM 861 O GLY A 58 -8.401 -13.930 -2.874 1.00 0.00 O ATOM 0 H GLY A 58 -4.836 -13.590 -0.760 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.694 -14.794 -2.530 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.893 -15.539 -1.492 1.00 0.00 H new ATOM 865 N GLN A 59 -7.213 -12.327 -1.809 1.00 0.00 N ATOM 866 CA GLN A 59 -8.118 -11.253 -2.180 1.00 0.00 C ATOM 867 C GLN A 59 -7.588 -10.513 -3.410 1.00 0.00 C ATOM 868 O GLN A 59 -8.356 -9.899 -4.148 1.00 0.00 O ATOM 869 CB GLN A 59 -8.334 -10.289 -1.012 1.00 0.00 C ATOM 870 CG GLN A 59 -9.031 -10.991 0.156 1.00 0.00 C ATOM 871 CD GLN A 59 -10.400 -10.367 0.432 1.00 0.00 C ATOM 872 OE1 GLN A 59 -11.360 -10.567 -0.294 1.00 0.00 O ATOM 873 NE2 GLN A 59 -10.437 -9.602 1.519 1.00 0.00 N ATOM 0 H GLN A 59 -6.415 -12.036 -1.244 1.00 0.00 H new ATOM 0 HA GLN A 59 -9.085 -11.690 -2.431 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -7.374 -9.891 -0.682 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -8.934 -9.441 -1.342 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -9.149 -12.051 -0.070 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.410 -10.923 1.049 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -9.597 -9.476 2.083 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.306 -9.141 1.789 1.00 0.00 H new ATOM 882 N LEU A 60 -6.278 -10.598 -3.592 1.00 0.00 N ATOM 883 CA LEU A 60 -5.636 -9.944 -4.720 1.00 0.00 C ATOM 884 C LEU A 60 -4.944 -10.997 -5.588 1.00 0.00 C ATOM 885 O LEU A 60 -4.508 -12.032 -5.086 1.00 0.00 O ATOM 886 CB LEU A 60 -4.699 -8.835 -4.234 1.00 0.00 C ATOM 887 CG LEU A 60 -3.934 -8.080 -5.322 1.00 0.00 C ATOM 888 CD1 LEU A 60 -4.893 -7.492 -6.360 1.00 0.00 C ATOM 889 CD2 LEU A 60 -3.025 -7.011 -4.712 1.00 0.00 C ATOM 0 H LEU A 60 -5.644 -11.109 -2.978 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.378 -9.451 -5.347 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.286 -8.115 -3.664 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.976 -9.273 -3.546 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.292 -8.790 -5.843 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.323 -6.960 -7.122 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.461 -8.296 -6.827 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.579 -6.800 -5.871 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.493 -6.489 -5.507 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.628 -6.298 -4.150 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.306 -7.484 -4.043 1.00 0.00 H new ATOM 901 N ASP A 61 -4.865 -10.697 -6.876 1.00 0.00 N ATOM 902 CA ASP A 61 -4.234 -11.604 -7.819 1.00 0.00 C ATOM 903 C ASP A 61 -3.158 -10.851 -8.603 1.00 0.00 C ATOM 904 O ASP A 61 -3.444 -9.839 -9.241 1.00 0.00 O ATOM 905 CB ASP A 61 -5.251 -12.154 -8.820 1.00 0.00 C ATOM 906 CG ASP A 61 -5.411 -13.676 -8.811 1.00 0.00 C ATOM 907 OD1 ASP A 61 -4.445 -14.345 -8.384 1.00 0.00 O ATOM 908 OD2 ASP A 61 -6.494 -14.135 -9.231 1.00 0.00 O ATOM 0 H ASP A 61 -5.228 -9.838 -7.289 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.802 -12.430 -7.254 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.221 -11.701 -8.615 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.958 -11.841 -9.822 1.00 0.00 H new ATOM 913 N LEU A 62 -1.942 -11.374 -8.531 1.00 0.00 N ATOM 914 CA LEU A 62 -0.822 -10.763 -9.226 1.00 0.00 C ATOM 915 C LEU A 62 -0.759 -11.304 -10.656 1.00 0.00 C ATOM 916 O LEU A 62 -1.045 -12.477 -10.893 1.00 0.00 O ATOM 917 CB LEU A 62 0.472 -10.962 -8.435 1.00 0.00 C ATOM 918 CG LEU A 62 1.496 -9.828 -8.528 1.00 0.00 C ATOM 919 CD1 LEU A 62 2.628 -10.028 -7.518 1.00 0.00 C ATOM 920 CD2 LEU A 62 2.022 -9.680 -9.957 1.00 0.00 C ATOM 0 H LEU A 62 -1.708 -12.214 -8.002 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.961 -9.684 -9.299 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.215 -11.107 -7.386 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.946 -11.882 -8.777 1.00 0.00 H new ATOM 0 HG LEU A 62 0.996 -8.894 -8.271 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.342 -9.209 -7.605 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.216 -10.045 -6.509 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.133 -10.972 -7.720 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.748 -8.868 -9.995 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.501 -10.609 -10.267 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.193 -9.458 -10.629 1.00 0.00 H new ATOM 932 N LEU A 63 -0.383 -10.424 -11.572 1.00 0.00 N ATOM 933 CA LEU A 63 -0.279 -10.799 -12.972 1.00 0.00 C ATOM 934 C LEU A 63 0.922 -10.086 -13.598 1.00 0.00 C ATOM 935 O LEU A 63 0.870 -8.884 -13.854 1.00 0.00 O ATOM 936 CB LEU A 63 -1.599 -10.533 -13.698 1.00 0.00 C ATOM 937 CG LEU A 63 -2.379 -11.770 -14.146 1.00 0.00 C ATOM 938 CD1 LEU A 63 -3.886 -11.550 -14.002 1.00 0.00 C ATOM 939 CD2 LEU A 63 -1.993 -12.176 -15.569 1.00 0.00 C ATOM 0 H LEU A 63 -0.147 -9.452 -11.372 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.100 -11.870 -13.067 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.239 -9.942 -13.042 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.391 -9.921 -14.576 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.110 -12.599 -13.491 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.417 -12.445 -14.327 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.126 -11.345 -12.959 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.191 -10.703 -14.617 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.562 -13.058 -15.863 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.214 -11.357 -16.254 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.927 -12.403 -15.606 1.00 0.00 H new ATOM 951 N ARG A 64 1.974 -10.857 -13.827 1.00 0.00 N ATOM 952 CA ARG A 64 3.185 -10.315 -14.418 1.00 0.00 C ATOM 953 C ARG A 64 3.006 -10.136 -15.927 1.00 0.00 C ATOM 954 O ARG A 64 2.878 -11.115 -16.661 1.00 0.00 O ATOM 955 CB ARG A 64 4.383 -11.231 -14.159 1.00 0.00 C ATOM 956 CG ARG A 64 5.629 -10.417 -13.804 1.00 0.00 C ATOM 957 CD ARG A 64 6.861 -11.318 -13.701 1.00 0.00 C ATOM 958 NE ARG A 64 7.250 -11.799 -15.046 1.00 0.00 N ATOM 959 CZ ARG A 64 8.048 -12.853 -15.265 1.00 0.00 C ATOM 960 NH1 ARG A 64 8.547 -13.543 -14.230 1.00 0.00 N ATOM 961 NH2 ARG A 64 8.348 -13.218 -16.519 1.00 0.00 N ATOM 0 H ARG A 64 2.013 -11.854 -13.614 1.00 0.00 H new ATOM 0 HA ARG A 64 3.375 -9.347 -13.954 1.00 0.00 H new ATOM 0 HB2 ARG A 64 4.150 -11.919 -13.346 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.580 -11.837 -15.043 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.796 -9.652 -14.562 1.00 0.00 H new ATOM 0 HG3 ARG A 64 5.472 -9.899 -12.858 1.00 0.00 H new ATOM 0 HD2 ARG A 64 7.687 -10.769 -13.249 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.648 -12.166 -13.050 1.00 0.00 H new ATOM 0 HE ARG A 64 6.888 -11.297 -15.857 1.00 0.00 H new ATOM 0 HH11 ARG A 64 8.319 -13.266 -13.275 1.00 0.00 H new ATOM 0 HH12 ARG A 64 9.154 -14.345 -14.397 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.969 -12.693 -17.307 1.00 0.00 H new ATOM 0 HH22 ARG A 64 8.955 -14.020 -16.685 1.00 0.00 H new ATOM 975 N SER A 65 3.001 -8.879 -16.346 1.00 0.00 N ATOM 976 CA SER A 65 2.839 -8.560 -17.754 1.00 0.00 C ATOM 977 C SER A 65 4.105 -7.887 -18.287 1.00 0.00 C ATOM 978 O SER A 65 4.845 -8.480 -19.071 1.00 0.00 O ATOM 979 CB SER A 65 1.624 -7.657 -17.978 1.00 0.00 C ATOM 980 OG SER A 65 1.211 -7.646 -19.341 1.00 0.00 O ATOM 0 H SER A 65 3.107 -8.069 -15.735 1.00 0.00 H new ATOM 0 HA SER A 65 2.672 -9.490 -18.298 1.00 0.00 H new ATOM 0 HB2 SER A 65 0.799 -7.997 -17.352 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.864 -6.641 -17.664 1.00 0.00 H new ATOM 0 HG SER A 65 0.432 -7.060 -19.442 1.00 0.00 H new ATOM 986 N ASN A 66 4.316 -6.657 -17.841 1.00 0.00 N ATOM 987 CA ASN A 66 5.480 -5.897 -18.263 1.00 0.00 C ATOM 988 C ASN A 66 5.442 -4.512 -17.616 1.00 0.00 C ATOM 989 O ASN A 66 4.416 -4.103 -17.075 1.00 0.00 O ATOM 990 CB ASN A 66 5.494 -5.709 -19.782 1.00 0.00 C ATOM 991 CG ASN A 66 6.872 -5.254 -20.265 1.00 0.00 C ATOM 992 OD1 ASN A 66 7.110 -4.088 -20.533 1.00 0.00 O ATOM 993 ND2 ASN A 66 7.763 -6.236 -20.362 1.00 0.00 N ATOM 0 H ASN A 66 3.700 -6.168 -17.191 1.00 0.00 H new ATOM 0 HA ASN A 66 6.370 -6.448 -17.959 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.224 -6.645 -20.270 1.00 0.00 H new ATOM 0 HB3 ASN A 66 4.743 -4.973 -20.068 1.00 0.00 H new ATOM 0 HD21 ASN A 66 8.712 -6.034 -20.677 1.00 0.00 H new ATOM 0 HD22 ASN A 66 7.498 -7.191 -20.122 1.00 0.00 H new ATOM 1000 N THR A 67 6.574 -3.827 -17.692 1.00 0.00 N ATOM 1001 CA THR A 67 6.682 -2.495 -17.120 1.00 0.00 C ATOM 1002 C THR A 67 5.937 -2.426 -15.785 1.00 0.00 C ATOM 1003 O THR A 67 5.244 -1.449 -15.508 1.00 0.00 O ATOM 1004 CB THR A 67 6.170 -1.492 -18.155 1.00 0.00 C ATOM 1005 OG1 THR A 67 6.155 -0.250 -17.457 1.00 0.00 O ATOM 1006 CG2 THR A 67 4.704 -1.730 -18.525 1.00 0.00 C ATOM 0 H THR A 67 7.424 -4.169 -18.141 1.00 0.00 H new ATOM 0 HA THR A 67 7.718 -2.246 -16.891 1.00 0.00 H new ATOM 0 HB THR A 67 6.785 -1.551 -19.053 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.436 -0.257 -16.792 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.390 -0.991 -19.263 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.592 -2.730 -18.943 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.084 -1.638 -17.633 1.00 0.00 H new ATOM 1014 N GLY A 68 6.105 -3.476 -14.995 1.00 0.00 N ATOM 1015 CA GLY A 68 5.457 -3.546 -13.696 1.00 0.00 C ATOM 1016 C GLY A 68 4.413 -4.664 -13.664 1.00 0.00 C ATOM 1017 O GLY A 68 3.795 -4.970 -14.683 1.00 0.00 O ATOM 0 H GLY A 68 6.680 -4.285 -15.229 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.204 -3.719 -12.922 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.980 -2.592 -13.471 1.00 0.00 H new ATOM 1021 N LEU A 69 4.249 -5.243 -12.484 1.00 0.00 N ATOM 1022 CA LEU A 69 3.291 -6.321 -12.306 1.00 0.00 C ATOM 1023 C LEU A 69 1.875 -5.741 -12.290 1.00 0.00 C ATOM 1024 O LEU A 69 1.697 -4.533 -12.146 1.00 0.00 O ATOM 1025 CB LEU A 69 3.633 -7.143 -11.062 1.00 0.00 C ATOM 1026 CG LEU A 69 5.093 -7.093 -10.606 1.00 0.00 C ATOM 1027 CD1 LEU A 69 5.382 -8.183 -9.571 1.00 0.00 C ATOM 1028 CD2 LEU A 69 6.044 -7.173 -11.803 1.00 0.00 C ATOM 0 H LEU A 69 4.763 -4.986 -11.642 1.00 0.00 H new ATOM 0 HA LEU A 69 3.342 -7.018 -13.143 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.004 -6.800 -10.240 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.368 -8.183 -11.254 1.00 0.00 H new ATOM 0 HG LEU A 69 5.266 -6.133 -10.120 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.426 -8.125 -9.264 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.740 -8.039 -8.702 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.186 -9.162 -10.009 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.075 -7.135 -11.452 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.877 -8.108 -12.339 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.858 -6.333 -12.472 1.00 0.00 H new ATOM 1040 N LEU A 70 0.904 -6.630 -12.440 1.00 0.00 N ATOM 1041 CA LEU A 70 -0.490 -6.222 -12.444 1.00 0.00 C ATOM 1042 C LEU A 70 -1.217 -6.893 -11.277 1.00 0.00 C ATOM 1043 O LEU A 70 -0.890 -8.018 -10.901 1.00 0.00 O ATOM 1044 CB LEU A 70 -1.126 -6.502 -13.807 1.00 0.00 C ATOM 1045 CG LEU A 70 -2.655 -6.455 -13.856 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -3.142 -5.827 -15.164 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -3.253 -7.844 -13.629 1.00 0.00 C ATOM 0 H LEU A 70 1.056 -7.632 -12.560 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.572 -5.145 -12.294 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.737 -5.778 -14.523 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.802 -7.487 -14.142 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.004 -5.818 -13.044 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.232 -5.806 -15.174 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.758 -4.810 -15.244 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.783 -6.418 -16.007 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.341 -7.783 -13.669 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.899 -8.524 -14.404 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.946 -8.217 -12.652 1.00 0.00 H new ATOM 1059 N TYR A 71 -2.190 -6.175 -10.736 1.00 0.00 N ATOM 1060 CA TYR A 71 -2.966 -6.687 -9.619 1.00 0.00 C ATOM 1061 C TYR A 71 -4.467 -6.539 -9.881 1.00 0.00 C ATOM 1062 O TYR A 71 -4.965 -5.426 -10.043 1.00 0.00 O ATOM 1063 CB TYR A 71 -2.584 -5.830 -8.411 1.00 0.00 C ATOM 1064 CG TYR A 71 -1.085 -5.546 -8.299 1.00 0.00 C ATOM 1065 CD1 TYR A 71 -0.184 -6.591 -8.289 1.00 0.00 C ATOM 1066 CD2 TYR A 71 -0.634 -4.244 -8.209 1.00 0.00 C ATOM 1067 CE1 TYR A 71 1.228 -6.323 -8.184 1.00 0.00 C ATOM 1068 CE2 TYR A 71 0.777 -3.977 -8.103 1.00 0.00 C ATOM 1069 CZ TYR A 71 1.638 -5.030 -8.096 1.00 0.00 C ATOM 1070 OH TYR A 71 2.971 -4.777 -7.996 1.00 0.00 O ATOM 0 H TYR A 71 -2.459 -5.243 -11.050 1.00 0.00 H new ATOM 0 HA TYR A 71 -2.760 -7.746 -9.462 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -3.120 -4.882 -8.467 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -2.917 -6.332 -7.503 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.537 -7.609 -8.360 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -1.339 -3.426 -8.218 1.00 0.00 H new ATOM 0 HE1 TYR A 71 1.944 -7.131 -8.175 1.00 0.00 H new ATOM 0 HE2 TYR A 71 1.143 -2.964 -8.031 1.00 0.00 H new ATOM 0 HH TYR A 71 3.117 -3.809 -7.942 1.00 0.00 H new ATOM 1080 N ARG A 72 -5.145 -7.677 -9.913 1.00 0.00 N ATOM 1081 CA ARG A 72 -6.578 -7.688 -10.152 1.00 0.00 C ATOM 1082 C ARG A 72 -7.297 -8.438 -9.029 1.00 0.00 C ATOM 1083 O ARG A 72 -6.659 -8.940 -8.104 1.00 0.00 O ATOM 1084 CB ARG A 72 -6.908 -8.349 -11.491 1.00 0.00 C ATOM 1085 CG ARG A 72 -7.212 -9.837 -11.307 1.00 0.00 C ATOM 1086 CD ARG A 72 -7.151 -10.579 -12.645 1.00 0.00 C ATOM 1087 NE ARG A 72 -7.668 -11.956 -12.484 1.00 0.00 N ATOM 1088 CZ ARG A 72 -7.379 -12.968 -13.313 1.00 0.00 C ATOM 1089 NH1 ARG A 72 -6.575 -12.764 -14.365 1.00 0.00 N ATOM 1090 NH2 ARG A 72 -7.894 -14.185 -13.089 1.00 0.00 N ATOM 0 H ARG A 72 -4.728 -8.598 -9.777 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.918 -6.653 -10.178 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.766 -7.852 -11.944 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.070 -8.227 -12.177 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.496 -10.275 -10.611 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.201 -9.958 -10.865 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.738 -10.046 -13.393 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.124 -10.608 -13.008 1.00 0.00 H new ATOM 0 HE ARG A 72 -8.283 -12.147 -11.693 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.183 -11.838 -14.535 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.355 -13.535 -14.996 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.506 -14.340 -12.288 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.674 -14.956 -13.720 1.00 0.00 H new ATOM 1104 N ILE A 73 -8.616 -8.491 -9.146 1.00 0.00 N ATOM 1105 CA ILE A 73 -9.429 -9.172 -8.153 1.00 0.00 C ATOM 1106 C ILE A 73 -9.239 -10.683 -8.293 1.00 0.00 C ATOM 1107 O ILE A 73 -9.433 -11.240 -9.373 1.00 0.00 O ATOM 1108 CB ILE A 73 -10.888 -8.723 -8.256 1.00 0.00 C ATOM 1109 CG1 ILE A 73 -11.300 -7.911 -7.027 1.00 0.00 C ATOM 1110 CG2 ILE A 73 -11.814 -9.919 -8.490 1.00 0.00 C ATOM 1111 CD1 ILE A 73 -10.953 -8.655 -5.736 1.00 0.00 C ATOM 0 H ILE A 73 -9.142 -8.073 -9.914 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.107 -8.902 -7.147 1.00 0.00 H new ATOM 0 HB ILE A 73 -10.984 -8.067 -9.121 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -10.797 -6.944 -7.040 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -12.371 -7.713 -7.060 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -12.845 -9.573 -8.559 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -11.536 -10.419 -9.418 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -11.721 -10.619 -7.659 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -11.257 -8.056 -4.878 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -11.477 -9.611 -5.715 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -9.878 -8.830 -5.694 1.00 0.00 H new ATOM 1123 N LYS A 74 -8.861 -11.306 -7.186 1.00 0.00 N ATOM 1124 CA LYS A 74 -8.642 -12.742 -7.172 1.00 0.00 C ATOM 1125 C LYS A 74 -9.963 -13.457 -7.464 1.00 0.00 C ATOM 1126 O LYS A 74 -11.030 -12.975 -7.089 1.00 0.00 O ATOM 1127 CB LYS A 74 -7.987 -13.172 -5.858 1.00 0.00 C ATOM 1128 CG LYS A 74 -7.186 -14.462 -6.041 1.00 0.00 C ATOM 1129 CD LYS A 74 -5.921 -14.449 -5.180 1.00 0.00 C ATOM 1130 CE LYS A 74 -5.571 -15.858 -4.698 1.00 0.00 C ATOM 1131 NZ LYS A 74 -4.175 -15.906 -4.208 1.00 0.00 N ATOM 0 H LYS A 74 -8.701 -10.842 -6.292 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.943 -13.029 -7.958 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.330 -12.380 -5.499 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.753 -13.320 -5.097 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.804 -15.319 -5.773 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.915 -14.580 -7.090 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.090 -14.041 -5.755 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.068 -13.793 -4.322 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.253 -16.156 -3.901 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.702 -16.570 -5.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.066 -16.703 -3.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.529 -16.031 -5.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.949 -15.017 -3.717 1.00 0.00 H new ATOM 1145 N ASP A 75 -9.847 -14.596 -8.131 1.00 0.00 N ATOM 1146 CA ASP A 75 -11.019 -15.383 -8.477 1.00 0.00 C ATOM 1147 C ASP A 75 -11.989 -14.517 -9.284 1.00 0.00 C ATOM 1148 O ASP A 75 -12.685 -13.672 -8.723 1.00 0.00 O ATOM 1149 CB ASP A 75 -11.748 -15.867 -7.223 1.00 0.00 C ATOM 1150 CG ASP A 75 -12.272 -17.302 -7.292 1.00 0.00 C ATOM 1151 OD1 ASP A 75 -11.536 -18.149 -7.843 1.00 0.00 O ATOM 1152 OD2 ASP A 75 -13.397 -17.521 -6.794 1.00 0.00 O ATOM 0 H ASP A 75 -8.960 -14.993 -8.441 1.00 0.00 H new ATOM 0 HA ASP A 75 -10.687 -16.245 -9.056 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.071 -15.784 -6.373 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -12.587 -15.199 -7.028 1.00 0.00 H new ATOM 1157 N SER A 76 -12.003 -14.757 -10.587 1.00 0.00 N ATOM 1158 CA SER A 76 -12.876 -14.010 -11.476 1.00 0.00 C ATOM 1159 C SER A 76 -12.897 -14.663 -12.860 1.00 0.00 C ATOM 1160 O SER A 76 -11.968 -14.488 -13.646 1.00 0.00 O ATOM 1161 CB SER A 76 -12.433 -12.550 -11.584 1.00 0.00 C ATOM 1162 OG SER A 76 -13.412 -11.654 -11.066 1.00 0.00 O ATOM 0 H SER A 76 -11.424 -15.458 -11.048 1.00 0.00 H new ATOM 0 HA SER A 76 -13.883 -14.026 -11.059 1.00 0.00 H new ATOM 0 HB2 SER A 76 -11.496 -12.415 -11.043 1.00 0.00 H new ATOM 0 HB3 SER A 76 -12.236 -12.307 -12.628 1.00 0.00 H new ATOM 0 HG SER A 76 -13.090 -10.732 -11.152 1.00 0.00 H new ATOM 1168 N GLY A 77 -13.967 -15.401 -13.114 1.00 0.00 N ATOM 1169 CA GLY A 77 -14.121 -16.081 -14.389 1.00 0.00 C ATOM 1170 C GLY A 77 -14.743 -15.152 -15.434 1.00 0.00 C ATOM 1171 O GLY A 77 -15.444 -14.203 -15.087 1.00 0.00 O ATOM 0 H GLY A 77 -14.736 -15.543 -12.459 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -13.149 -16.429 -14.739 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -14.749 -16.963 -14.261 1.00 0.00 H new ATOM 1175 N PRO A 78 -14.456 -15.467 -16.726 1.00 0.00 N ATOM 1176 CA PRO A 78 -14.979 -14.671 -17.824 1.00 0.00 C ATOM 1177 C PRO A 78 -16.466 -14.957 -18.048 1.00 0.00 C ATOM 1178 O PRO A 78 -17.015 -15.896 -17.473 1.00 0.00 O ATOM 1179 CB PRO A 78 -14.117 -15.037 -19.021 1.00 0.00 C ATOM 1180 CG PRO A 78 -13.451 -16.357 -18.666 1.00 0.00 C ATOM 1181 CD PRO A 78 -13.629 -16.583 -17.174 1.00 0.00 C ATOM 0 HA PRO A 78 -14.930 -13.600 -17.628 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -14.722 -15.135 -19.923 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -13.373 -14.265 -19.218 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -13.898 -17.174 -19.232 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -12.392 -16.332 -18.925 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -14.112 -17.539 -16.973 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -12.669 -16.596 -16.658 1.00 0.00 H new ATOM 1189 N SER A 79 -17.075 -14.129 -18.884 1.00 0.00 N ATOM 1190 CA SER A 79 -18.487 -14.281 -19.192 1.00 0.00 C ATOM 1191 C SER A 79 -18.729 -14.022 -20.680 1.00 0.00 C ATOM 1192 O SER A 79 -18.645 -12.883 -21.137 1.00 0.00 O ATOM 1193 CB SER A 79 -19.340 -13.337 -18.342 1.00 0.00 C ATOM 1194 OG SER A 79 -19.108 -13.516 -16.948 1.00 0.00 O ATOM 0 H SER A 79 -16.616 -13.351 -19.358 1.00 0.00 H new ATOM 0 HA SER A 79 -18.781 -15.304 -18.956 1.00 0.00 H new ATOM 0 HB2 SER A 79 -19.121 -12.305 -18.616 1.00 0.00 H new ATOM 0 HB3 SER A 79 -20.395 -13.508 -18.559 1.00 0.00 H new ATOM 0 HG SER A 79 -19.670 -12.894 -16.440 1.00 0.00 H new ATOM 1200 N SER A 80 -19.026 -15.097 -21.395 1.00 0.00 N ATOM 1201 CA SER A 80 -19.281 -15.000 -22.822 1.00 0.00 C ATOM 1202 C SER A 80 -19.702 -16.365 -23.372 1.00 0.00 C ATOM 1203 O SER A 80 -19.451 -17.394 -22.747 1.00 0.00 O ATOM 1204 CB SER A 80 -18.049 -14.484 -23.568 1.00 0.00 C ATOM 1205 OG SER A 80 -16.941 -15.371 -23.447 1.00 0.00 O ATOM 0 H SER A 80 -19.096 -16.040 -21.013 1.00 0.00 H new ATOM 0 HA SER A 80 -20.091 -14.287 -22.977 1.00 0.00 H new ATOM 0 HB2 SER A 80 -18.293 -14.351 -24.622 1.00 0.00 H new ATOM 0 HB3 SER A 80 -17.773 -13.504 -23.178 1.00 0.00 H new ATOM 0 HG SER A 80 -16.175 -15.007 -23.938 1.00 0.00 H new ATOM 1211 N GLY A 81 -20.334 -16.328 -24.536 1.00 0.00 N ATOM 1212 CA GLY A 81 -20.792 -17.549 -25.177 1.00 0.00 C ATOM 1213 C GLY A 81 -21.430 -18.497 -24.159 1.00 0.00 C ATOM 1214 O GLY A 81 -22.169 -19.407 -24.532 1.00 0.00 O ATOM 0 H GLY A 81 -20.540 -15.472 -25.052 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -21.515 -17.306 -25.956 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -19.953 -18.045 -25.665 1.00 0.00 H new TER 1218 GLY A 81