USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 596 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 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 44 GLN : amide:sc= -0.574 X(o=-0.57,f=-0.45) USER MOD Set 2.1: A 1 MET N :NH3+ 153:sc=0.000766 (180deg=0) USER MOD Set 2.2: A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.00646) USER MOD Single : A 11 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.0139) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.302 K(o=-0.3,f=-1.3) USER MOD Single : A 22 SER OG : rot 85:sc= 0.904 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 26:sc= 0.0236 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= -0.485 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= -0.107 X(o=-0.11,f=0) USER MOD Single : A 39 THR OG1 : rot 53:sc= 0.812 USER MOD Single : A 40 HIS : no HD1:sc=-0.00975 K(o=-0.0097,f=-0.58) USER MOD Single : A 43 ASN : amide:sc= -0.28 K(o=-0.28,f=-2.7!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 87:sc= -0.41 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0.19) USER MOD Single : A 61 GLN : amide:sc= -0.429 X(o=-0.43,f=-0.063) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 54.585 12.822 12.422 1.00 0.00 N ATOM 2 CA MET A 1 54.263 13.956 11.510 1.00 0.00 C ATOM 3 C MET A 1 54.699 15.271 12.158 1.00 0.00 C ATOM 4 O MET A 1 54.017 15.810 13.008 1.00 0.00 O ATOM 5 CB MET A 1 52.756 13.988 11.249 1.00 0.00 C ATOM 6 CG MET A 1 52.490 14.604 9.874 1.00 0.00 C ATOM 7 SD MET A 1 50.777 15.184 9.793 1.00 0.00 S ATOM 8 CE MET A 1 50.919 16.082 8.228 1.00 0.00 C ATOM 0 H1 MET A 1 53.929 12.035 12.243 1.00 0.00 H new ATOM 0 H2 MET A 1 55.560 12.505 12.251 1.00 0.00 H new ATOM 0 H3 MET A 1 54.491 13.133 13.410 1.00 0.00 H new ATOM 0 HA MET A 1 54.791 13.825 10.566 1.00 0.00 H new ATOM 0 HB2 MET A 1 52.347 12.979 11.292 1.00 0.00 H new ATOM 0 HB3 MET A 1 52.254 14.569 12.023 1.00 0.00 H new ATOM 0 HG2 MET A 1 53.175 15.433 9.697 1.00 0.00 H new ATOM 0 HG3 MET A 1 52.673 13.867 9.092 1.00 0.00 H new ATOM 0 HE1 MET A 1 49.958 16.531 7.978 1.00 0.00 H new ATOM 0 HE2 MET A 1 51.671 16.865 8.325 1.00 0.00 H new ATOM 0 HE3 MET A 1 51.214 15.392 7.438 1.00 0.00 H new ATOM 20 N GLU A 2 55.837 15.787 11.763 1.00 0.00 N ATOM 21 CA GLU A 2 56.336 17.069 12.349 1.00 0.00 C ATOM 22 C GLU A 2 56.520 16.909 13.861 1.00 0.00 C ATOM 23 O GLU A 2 56.417 17.862 14.610 1.00 0.00 O ATOM 24 CB GLU A 2 55.330 18.191 12.076 1.00 0.00 C ATOM 25 CG GLU A 2 56.074 19.521 11.901 1.00 0.00 C ATOM 26 CD GLU A 2 55.317 20.637 12.625 1.00 0.00 C ATOM 27 OE1 GLU A 2 54.467 21.251 12.001 1.00 0.00 O ATOM 28 OE2 GLU A 2 55.600 20.859 13.791 1.00 0.00 O ATOM 0 H GLU A 2 56.444 15.373 11.056 1.00 0.00 H new ATOM 0 HA GLU A 2 57.292 17.321 11.891 1.00 0.00 H new ATOM 0 HB2 GLU A 2 54.753 17.965 11.179 1.00 0.00 H new ATOM 0 HB3 GLU A 2 54.621 18.266 12.901 1.00 0.00 H new ATOM 0 HG2 GLU A 2 57.085 19.438 12.299 1.00 0.00 H new ATOM 0 HG3 GLU A 2 56.167 19.760 10.842 1.00 0.00 H new ATOM 35 N THR A 3 56.794 15.710 14.312 1.00 0.00 N ATOM 36 CA THR A 3 56.989 15.480 15.772 1.00 0.00 C ATOM 37 C THR A 3 58.482 15.548 16.102 1.00 0.00 C ATOM 38 O THR A 3 58.868 15.919 17.194 1.00 0.00 O ATOM 39 CB THR A 3 56.445 14.100 16.146 1.00 0.00 C ATOM 40 OG1 THR A 3 55.163 13.924 15.561 1.00 0.00 O ATOM 41 CG2 THR A 3 56.334 13.989 17.667 1.00 0.00 C ATOM 0 H THR A 3 56.891 14.879 13.728 1.00 0.00 H new ATOM 0 HA THR A 3 56.457 16.245 16.337 1.00 0.00 H new ATOM 0 HB THR A 3 57.122 13.330 15.777 1.00 0.00 H new ATOM 0 HG1 THR A 3 54.814 13.040 15.798 1.00 0.00 H new ATOM 0 HG21 THR A 3 55.946 13.006 17.933 1.00 0.00 H new ATOM 0 HG22 THR A 3 57.319 14.124 18.114 1.00 0.00 H new ATOM 0 HG23 THR A 3 55.658 14.758 18.040 1.00 0.00 H new ATOM 49 N LEU A 4 59.322 15.191 15.163 1.00 0.00 N ATOM 50 CA LEU A 4 60.792 15.231 15.410 1.00 0.00 C ATOM 51 C LEU A 4 61.321 16.636 15.109 1.00 0.00 C ATOM 52 O LEU A 4 61.249 17.108 13.990 1.00 0.00 O ATOM 53 CB LEU A 4 61.486 14.214 14.499 1.00 0.00 C ATOM 54 CG LEU A 4 62.656 13.571 15.246 1.00 0.00 C ATOM 55 CD1 LEU A 4 63.112 12.317 14.498 1.00 0.00 C ATOM 56 CD2 LEU A 4 63.816 14.566 15.327 1.00 0.00 C ATOM 0 H LEU A 4 59.050 14.873 14.233 1.00 0.00 H new ATOM 0 HA LEU A 4 60.996 14.984 16.452 1.00 0.00 H new ATOM 0 HB2 LEU A 4 60.777 13.448 14.185 1.00 0.00 H new ATOM 0 HB3 LEU A 4 61.845 14.706 13.595 1.00 0.00 H new ATOM 0 HG LEU A 4 62.339 13.298 16.252 1.00 0.00 H new ATOM 0 HD11 LEU A 4 63.946 11.859 15.030 1.00 0.00 H new ATOM 0 HD12 LEU A 4 62.286 11.608 14.439 1.00 0.00 H new ATOM 0 HD13 LEU A 4 63.430 12.589 13.491 1.00 0.00 H new ATOM 0 HD21 LEU A 4 64.651 14.109 15.859 1.00 0.00 H new ATOM 0 HD22 LEU A 4 64.133 14.838 14.320 1.00 0.00 H new ATOM 0 HD23 LEU A 4 63.492 15.460 15.860 1.00 0.00 H new ATOM 68 N VAL A 5 61.852 17.304 16.102 1.00 0.00 N ATOM 69 CA VAL A 5 62.391 18.680 15.886 1.00 0.00 C ATOM 70 C VAL A 5 63.903 18.598 15.667 1.00 0.00 C ATOM 71 O VAL A 5 64.462 19.311 14.855 1.00 0.00 O ATOM 72 CB VAL A 5 62.097 19.544 17.116 1.00 0.00 C ATOM 73 CG1 VAL A 5 62.545 20.984 16.855 1.00 0.00 C ATOM 74 CG2 VAL A 5 60.593 19.526 17.410 1.00 0.00 C ATOM 0 H VAL A 5 61.935 16.954 17.056 1.00 0.00 H new ATOM 0 HA VAL A 5 61.918 19.127 15.011 1.00 0.00 H new ATOM 0 HB VAL A 5 62.641 19.144 17.972 1.00 0.00 H new ATOM 0 HG11 VAL A 5 62.334 21.595 17.732 1.00 0.00 H new ATOM 0 HG12 VAL A 5 63.615 21.001 16.650 1.00 0.00 H new ATOM 0 HG13 VAL A 5 62.005 21.383 15.996 1.00 0.00 H new ATOM 0 HG21 VAL A 5 60.386 20.141 18.286 1.00 0.00 H new ATOM 0 HG22 VAL A 5 60.050 19.922 16.552 1.00 0.00 H new ATOM 0 HG23 VAL A 5 60.272 18.502 17.602 1.00 0.00 H new ATOM 84 N GLN A 6 64.563 17.733 16.391 1.00 0.00 N ATOM 85 CA GLN A 6 66.042 17.591 16.240 1.00 0.00 C ATOM 86 C GLN A 6 66.349 16.392 15.335 1.00 0.00 C ATOM 87 O GLN A 6 67.013 15.451 15.731 1.00 0.00 O ATOM 88 CB GLN A 6 66.678 17.379 17.620 1.00 0.00 C ATOM 89 CG GLN A 6 65.983 16.217 18.334 1.00 0.00 C ATOM 90 CD GLN A 6 66.876 15.703 19.464 1.00 0.00 C ATOM 91 OE1 GLN A 6 66.803 16.182 20.579 1.00 0.00 O ATOM 92 NE2 GLN A 6 67.723 14.740 19.223 1.00 0.00 N ATOM 0 H GLN A 6 64.140 17.116 17.084 1.00 0.00 H new ATOM 0 HA GLN A 6 66.453 18.495 15.791 1.00 0.00 H new ATOM 0 HB2 GLN A 6 67.742 17.169 17.512 1.00 0.00 H new ATOM 0 HB3 GLN A 6 66.591 18.288 18.215 1.00 0.00 H new ATOM 0 HG2 GLN A 6 65.024 16.545 18.735 1.00 0.00 H new ATOM 0 HG3 GLN A 6 65.775 15.414 17.627 1.00 0.00 H new ATOM 0 HE21 GLN A 6 67.785 14.337 18.288 1.00 0.00 H new ATOM 0 HE22 GLN A 6 68.323 14.390 19.970 1.00 0.00 H new ATOM 101 N ALA A 7 65.863 16.423 14.120 1.00 0.00 N ATOM 102 CA ALA A 7 66.111 15.296 13.177 1.00 0.00 C ATOM 103 C ALA A 7 67.597 15.240 12.815 1.00 0.00 C ATOM 104 O ALA A 7 68.118 16.122 12.158 1.00 0.00 O ATOM 105 CB ALA A 7 65.287 15.506 11.905 1.00 0.00 C ATOM 0 H ALA A 7 65.302 17.186 13.741 1.00 0.00 H new ATOM 0 HA ALA A 7 65.820 14.359 13.653 1.00 0.00 H new ATOM 0 HB1 ALA A 7 65.468 14.682 11.214 1.00 0.00 H new ATOM 0 HB2 ALA A 7 64.228 15.541 12.159 1.00 0.00 H new ATOM 0 HB3 ALA A 7 65.578 16.445 11.434 1.00 0.00 H new ATOM 111 N ARG A 8 68.278 14.207 13.238 1.00 0.00 N ATOM 112 CA ARG A 8 69.726 14.078 12.925 1.00 0.00 C ATOM 113 C ARG A 8 69.893 13.524 11.508 1.00 0.00 C ATOM 114 O ARG A 8 70.674 14.027 10.723 1.00 0.00 O ATOM 115 CB ARG A 8 70.379 13.127 13.929 1.00 0.00 C ATOM 116 CG ARG A 8 70.427 13.796 15.304 1.00 0.00 C ATOM 117 CD ARG A 8 71.647 14.714 15.382 1.00 0.00 C ATOM 118 NE ARG A 8 72.889 13.894 15.302 1.00 0.00 N ATOM 119 CZ ARG A 8 73.319 13.256 16.356 1.00 0.00 C ATOM 120 NH1 ARG A 8 74.140 13.844 17.183 1.00 0.00 N ATOM 121 NH2 ARG A 8 72.927 12.032 16.584 1.00 0.00 N ATOM 0 H ARG A 8 67.887 13.444 13.790 1.00 0.00 H new ATOM 0 HA ARG A 8 70.203 15.056 12.989 1.00 0.00 H new ATOM 0 HB2 ARG A 8 69.815 12.196 13.985 1.00 0.00 H new ATOM 0 HB3 ARG A 8 71.387 12.870 13.602 1.00 0.00 H new ATOM 0 HG2 ARG A 8 69.516 14.370 15.473 1.00 0.00 H new ATOM 0 HG3 ARG A 8 70.477 13.039 16.087 1.00 0.00 H new ATOM 0 HD2 ARG A 8 71.623 15.439 14.568 1.00 0.00 H new ATOM 0 HD3 ARG A 8 71.631 15.280 16.313 1.00 0.00 H new ATOM 0 HE ARG A 8 73.403 13.831 14.423 1.00 0.00 H new ATOM 0 HH11 ARG A 8 74.445 14.801 17.005 1.00 0.00 H new ATOM 0 HH12 ARG A 8 74.477 13.346 18.007 1.00 0.00 H new ATOM 0 HH21 ARG A 8 72.284 11.574 15.938 1.00 0.00 H new ATOM 0 HH22 ARG A 8 73.264 11.534 17.408 1.00 0.00 H new ATOM 135 N LYS A 9 69.156 12.494 11.179 1.00 0.00 N ATOM 136 CA LYS A 9 69.251 11.898 9.819 1.00 0.00 C ATOM 137 C LYS A 9 67.992 11.068 9.547 1.00 0.00 C ATOM 138 O LYS A 9 68.039 9.854 9.479 1.00 0.00 O ATOM 139 CB LYS A 9 70.496 11.009 9.734 1.00 0.00 C ATOM 140 CG LYS A 9 70.921 10.858 8.270 1.00 0.00 C ATOM 141 CD LYS A 9 72.418 10.529 8.196 1.00 0.00 C ATOM 142 CE LYS A 9 72.609 9.036 7.917 1.00 0.00 C ATOM 143 NZ LYS A 9 72.361 8.765 6.473 1.00 0.00 N ATOM 0 H LYS A 9 68.488 12.039 11.802 1.00 0.00 H new ATOM 0 HA LYS A 9 69.331 12.688 9.073 1.00 0.00 H new ATOM 0 HB2 LYS A 9 71.308 11.446 10.316 1.00 0.00 H new ATOM 0 HB3 LYS A 9 70.286 10.030 10.165 1.00 0.00 H new ATOM 0 HG2 LYS A 9 70.341 10.068 7.793 1.00 0.00 H new ATOM 0 HG3 LYS A 9 70.714 11.779 7.725 1.00 0.00 H new ATOM 0 HD2 LYS A 9 72.891 11.118 7.410 1.00 0.00 H new ATOM 0 HD3 LYS A 9 72.905 10.798 9.133 1.00 0.00 H new ATOM 0 HE2 LYS A 9 73.620 8.731 8.187 1.00 0.00 H new ATOM 0 HE3 LYS A 9 71.925 8.450 8.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 72.072 7.773 6.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 71.606 9.391 6.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 73.232 8.941 5.932 1.00 0.00 H new ATOM 157 N ARG A 10 66.865 11.719 9.397 1.00 0.00 N ATOM 158 CA ARG A 10 65.598 10.985 9.137 1.00 0.00 C ATOM 159 C ARG A 10 64.670 11.853 8.277 1.00 0.00 C ATOM 160 O ARG A 10 63.697 12.403 8.758 1.00 0.00 O ATOM 161 CB ARG A 10 64.918 10.656 10.476 1.00 0.00 C ATOM 162 CG ARG A 10 65.000 9.151 10.747 1.00 0.00 C ATOM 163 CD ARG A 10 64.493 8.860 12.162 1.00 0.00 C ATOM 164 NE ARG A 10 63.007 8.749 12.145 1.00 0.00 N ATOM 165 CZ ARG A 10 62.396 8.026 13.044 1.00 0.00 C ATOM 166 NH1 ARG A 10 62.761 6.789 13.246 1.00 0.00 N ATOM 167 NH2 ARG A 10 61.419 8.540 13.742 1.00 0.00 N ATOM 0 H ARG A 10 66.773 12.734 9.445 1.00 0.00 H new ATOM 0 HA ARG A 10 65.812 10.058 8.605 1.00 0.00 H new ATOM 0 HB2 ARG A 10 65.401 11.206 11.284 1.00 0.00 H new ATOM 0 HB3 ARG A 10 63.876 10.974 10.452 1.00 0.00 H new ATOM 0 HG2 ARG A 10 64.403 8.606 10.016 1.00 0.00 H new ATOM 0 HG3 ARG A 10 66.029 8.807 10.639 1.00 0.00 H new ATOM 0 HD2 ARG A 10 64.933 7.935 12.534 1.00 0.00 H new ATOM 0 HD3 ARG A 10 64.801 9.655 12.841 1.00 0.00 H new ATOM 0 HE ARG A 10 62.467 9.238 11.431 1.00 0.00 H new ATOM 0 HH11 ARG A 10 63.524 6.387 12.701 1.00 0.00 H new ATOM 0 HH12 ARG A 10 62.283 6.225 13.949 1.00 0.00 H new ATOM 0 HH21 ARG A 10 61.133 9.506 13.585 1.00 0.00 H new ATOM 0 HH22 ARG A 10 60.942 7.975 14.444 1.00 0.00 H new ATOM 181 N LYS A 11 64.965 11.971 7.007 1.00 0.00 N ATOM 182 CA LYS A 11 64.111 12.789 6.107 1.00 0.00 C ATOM 183 C LYS A 11 63.502 11.884 5.033 1.00 0.00 C ATOM 184 O LYS A 11 64.103 10.908 4.624 1.00 0.00 O ATOM 185 CB LYS A 11 64.958 13.884 5.452 1.00 0.00 C ATOM 186 CG LYS A 11 65.336 14.929 6.505 1.00 0.00 C ATOM 187 CD LYS A 11 66.557 15.720 6.030 1.00 0.00 C ATOM 188 CE LYS A 11 66.101 16.934 5.218 1.00 0.00 C ATOM 189 NZ LYS A 11 66.158 16.610 3.765 1.00 0.00 N ATOM 0 H LYS A 11 65.767 11.531 6.556 1.00 0.00 H new ATOM 0 HA LYS A 11 63.311 13.257 6.681 1.00 0.00 H new ATOM 0 HB2 LYS A 11 65.857 13.451 5.014 1.00 0.00 H new ATOM 0 HB3 LYS A 11 64.402 14.353 4.640 1.00 0.00 H new ATOM 0 HG2 LYS A 11 64.498 15.604 6.679 1.00 0.00 H new ATOM 0 HG3 LYS A 11 65.554 14.440 7.455 1.00 0.00 H new ATOM 0 HD2 LYS A 11 67.148 16.044 6.887 1.00 0.00 H new ATOM 0 HD3 LYS A 11 67.200 15.084 5.422 1.00 0.00 H new ATOM 0 HE2 LYS A 11 65.086 17.213 5.500 1.00 0.00 H new ATOM 0 HE3 LYS A 11 66.739 17.791 5.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 65.452 17.178 3.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 67.107 16.826 3.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 65.955 15.599 3.626 1.00 0.00 H new ATOM 203 N ARG A 12 62.310 12.192 4.584 1.00 0.00 N ATOM 204 CA ARG A 12 61.655 11.341 3.547 1.00 0.00 C ATOM 205 C ARG A 12 61.805 11.984 2.166 1.00 0.00 C ATOM 206 O ARG A 12 60.924 11.887 1.332 1.00 0.00 O ATOM 207 CB ARG A 12 60.167 11.186 3.877 1.00 0.00 C ATOM 208 CG ARG A 12 59.525 12.570 4.031 1.00 0.00 C ATOM 209 CD ARG A 12 58.142 12.572 3.376 1.00 0.00 C ATOM 210 NE ARG A 12 57.258 11.596 4.074 1.00 0.00 N ATOM 211 CZ ARG A 12 56.286 11.017 3.424 1.00 0.00 C ATOM 212 NH1 ARG A 12 56.551 10.107 2.527 1.00 0.00 N ATOM 213 NH2 ARG A 12 55.048 11.346 3.672 1.00 0.00 N ATOM 0 H ARG A 12 61.764 12.996 4.892 1.00 0.00 H new ATOM 0 HA ARG A 12 62.134 10.362 3.538 1.00 0.00 H new ATOM 0 HB2 ARG A 12 59.666 10.628 3.086 1.00 0.00 H new ATOM 0 HB3 ARG A 12 60.046 10.614 4.797 1.00 0.00 H new ATOM 0 HG2 ARG A 12 59.438 12.826 5.087 1.00 0.00 H new ATOM 0 HG3 ARG A 12 60.158 13.328 3.570 1.00 0.00 H new ATOM 0 HD2 ARG A 12 57.707 13.570 3.423 1.00 0.00 H new ATOM 0 HD3 ARG A 12 58.227 12.311 2.321 1.00 0.00 H new ATOM 0 HE ARG A 12 57.413 11.381 5.059 1.00 0.00 H new ATOM 0 HH11 ARG A 12 57.518 9.848 2.334 1.00 0.00 H new ATOM 0 HH12 ARG A 12 55.791 9.655 2.019 1.00 0.00 H new ATOM 0 HH21 ARG A 12 54.840 12.056 4.374 1.00 0.00 H new ATOM 0 HH22 ARG A 12 54.288 10.893 3.164 1.00 0.00 H new ATOM 227 N THR A 13 62.915 12.631 1.914 1.00 0.00 N ATOM 228 CA THR A 13 63.126 13.271 0.581 1.00 0.00 C ATOM 229 C THR A 13 63.607 12.217 -0.424 1.00 0.00 C ATOM 230 O THR A 13 63.430 12.364 -1.619 1.00 0.00 O ATOM 231 CB THR A 13 64.173 14.384 0.703 1.00 0.00 C ATOM 232 OG1 THR A 13 64.454 14.908 -0.587 1.00 0.00 O ATOM 233 CG2 THR A 13 65.462 13.831 1.322 1.00 0.00 C ATOM 0 H THR A 13 63.684 12.743 2.574 1.00 0.00 H new ATOM 0 HA THR A 13 62.186 13.699 0.233 1.00 0.00 H new ATOM 0 HB THR A 13 63.782 15.173 1.345 1.00 0.00 H new ATOM 0 HG1 THR A 13 65.122 15.621 -0.512 1.00 0.00 H new ATOM 0 HG21 THR A 13 66.198 14.630 1.404 1.00 0.00 H new ATOM 0 HG22 THR A 13 65.248 13.432 2.314 1.00 0.00 H new ATOM 0 HG23 THR A 13 65.858 13.036 0.689 1.00 0.00 H new ATOM 241 N SER A 14 64.212 11.154 0.051 1.00 0.00 N ATOM 242 CA SER A 14 64.702 10.087 -0.871 1.00 0.00 C ATOM 243 C SER A 14 64.285 8.716 -0.326 1.00 0.00 C ATOM 244 O SER A 14 63.432 8.618 0.535 1.00 0.00 O ATOM 245 CB SER A 14 66.228 10.159 -0.963 1.00 0.00 C ATOM 246 OG SER A 14 66.793 9.748 0.275 1.00 0.00 O ATOM 0 H SER A 14 64.387 10.981 1.041 1.00 0.00 H new ATOM 0 HA SER A 14 64.271 10.231 -1.862 1.00 0.00 H new ATOM 0 HB2 SER A 14 66.586 9.519 -1.770 1.00 0.00 H new ATOM 0 HB3 SER A 14 66.542 11.176 -1.200 1.00 0.00 H new ATOM 0 HG SER A 14 67.770 9.791 0.219 1.00 0.00 H new ATOM 252 N ILE A 15 64.886 7.660 -0.818 1.00 0.00 N ATOM 253 CA ILE A 15 64.535 6.293 -0.327 1.00 0.00 C ATOM 254 C ILE A 15 65.245 6.046 1.002 1.00 0.00 C ATOM 255 O ILE A 15 66.361 5.565 1.043 1.00 0.00 O ATOM 256 CB ILE A 15 64.965 5.245 -1.370 1.00 0.00 C ATOM 257 CG1 ILE A 15 64.107 5.409 -2.636 1.00 0.00 C ATOM 258 CG2 ILE A 15 64.791 3.820 -0.814 1.00 0.00 C ATOM 259 CD1 ILE A 15 62.625 5.136 -2.322 1.00 0.00 C ATOM 0 H ILE A 15 65.606 7.687 -1.540 1.00 0.00 H new ATOM 0 HA ILE A 15 63.458 6.213 -0.178 1.00 0.00 H new ATOM 0 HB ILE A 15 66.017 5.398 -1.609 1.00 0.00 H new ATOM 0 HG12 ILE A 15 64.221 6.418 -3.032 1.00 0.00 H new ATOM 0 HG13 ILE A 15 64.454 4.723 -3.409 1.00 0.00 H new ATOM 0 HG21 ILE A 15 65.101 3.095 -1.567 1.00 0.00 H new ATOM 0 HG22 ILE A 15 65.405 3.700 0.079 1.00 0.00 H new ATOM 0 HG23 ILE A 15 63.744 3.654 -0.559 1.00 0.00 H new ATOM 0 HD11 ILE A 15 62.033 5.257 -3.229 1.00 0.00 H new ATOM 0 HD12 ILE A 15 62.514 4.118 -1.949 1.00 0.00 H new ATOM 0 HD13 ILE A 15 62.278 5.840 -1.566 1.00 0.00 H new ATOM 271 N GLU A 16 64.587 6.355 2.087 1.00 0.00 N ATOM 272 CA GLU A 16 65.190 6.124 3.417 1.00 0.00 C ATOM 273 C GLU A 16 64.921 4.672 3.798 1.00 0.00 C ATOM 274 O GLU A 16 64.049 4.038 3.241 1.00 0.00 O ATOM 275 CB GLU A 16 64.559 7.073 4.442 1.00 0.00 C ATOM 276 CG GLU A 16 65.648 7.656 5.349 1.00 0.00 C ATOM 277 CD GLU A 16 65.085 7.863 6.756 1.00 0.00 C ATOM 278 OE1 GLU A 16 64.513 8.915 6.994 1.00 0.00 O ATOM 279 OE2 GLU A 16 65.234 6.968 7.570 1.00 0.00 O ATOM 0 H GLU A 16 63.651 6.760 2.102 1.00 0.00 H new ATOM 0 HA GLU A 16 66.263 6.314 3.397 1.00 0.00 H new ATOM 0 HB2 GLU A 16 64.031 7.877 3.930 1.00 0.00 H new ATOM 0 HB3 GLU A 16 63.822 6.538 5.041 1.00 0.00 H new ATOM 0 HG2 GLU A 16 66.505 6.983 5.384 1.00 0.00 H new ATOM 0 HG3 GLU A 16 66.003 8.604 4.945 1.00 0.00 H new ATOM 286 N ASN A 17 65.663 4.135 4.724 1.00 0.00 N ATOM 287 CA ASN A 17 65.445 2.713 5.123 1.00 0.00 C ATOM 288 C ASN A 17 64.034 2.553 5.689 1.00 0.00 C ATOM 289 O ASN A 17 63.429 1.503 5.578 1.00 0.00 O ATOM 290 CB ASN A 17 66.480 2.305 6.177 1.00 0.00 C ATOM 291 CG ASN A 17 66.967 0.880 5.900 1.00 0.00 C ATOM 292 OD1 ASN A 17 66.240 -0.073 6.101 1.00 0.00 O ATOM 293 ND2 ASN A 17 68.176 0.694 5.445 1.00 0.00 N ATOM 0 H ASN A 17 66.411 4.617 5.223 1.00 0.00 H new ATOM 0 HA ASN A 17 65.557 2.071 4.250 1.00 0.00 H new ATOM 0 HB2 ASN A 17 67.322 2.997 6.160 1.00 0.00 H new ATOM 0 HB3 ASN A 17 66.041 2.362 7.173 1.00 0.00 H new ATOM 0 HD21 ASN A 17 68.511 -0.251 5.258 1.00 0.00 H new ATOM 0 HD22 ASN A 17 68.786 1.494 5.276 1.00 0.00 H new ATOM 300 N ARG A 18 63.503 3.590 6.284 1.00 0.00 N ATOM 301 CA ARG A 18 62.127 3.503 6.845 1.00 0.00 C ATOM 302 C ARG A 18 61.110 3.613 5.707 1.00 0.00 C ATOM 303 O ARG A 18 60.008 3.107 5.809 1.00 0.00 O ATOM 304 CB ARG A 18 61.905 4.633 7.861 1.00 0.00 C ATOM 305 CG ARG A 18 62.084 6.001 7.182 1.00 0.00 C ATOM 306 CD ARG A 18 60.760 6.771 7.202 1.00 0.00 C ATOM 307 NE ARG A 18 60.692 7.617 8.426 1.00 0.00 N ATOM 308 CZ ARG A 18 59.632 8.340 8.658 1.00 0.00 C ATOM 309 NH1 ARG A 18 58.570 7.790 9.181 1.00 0.00 N ATOM 310 NH2 ARG A 18 59.631 9.611 8.365 1.00 0.00 N ATOM 0 H ARG A 18 63.965 4.492 6.404 1.00 0.00 H new ATOM 0 HA ARG A 18 62.000 2.546 7.352 1.00 0.00 H new ATOM 0 HB2 ARG A 18 60.904 4.558 8.286 1.00 0.00 H new ATOM 0 HB3 ARG A 18 62.610 4.534 8.686 1.00 0.00 H new ATOM 0 HG2 ARG A 18 62.855 6.574 7.697 1.00 0.00 H new ATOM 0 HG3 ARG A 18 62.420 5.865 6.154 1.00 0.00 H new ATOM 0 HD2 ARG A 18 60.677 7.394 6.312 1.00 0.00 H new ATOM 0 HD3 ARG A 18 59.922 6.074 7.182 1.00 0.00 H new ATOM 0 HE ARG A 18 61.473 7.631 9.082 1.00 0.00 H new ATOM 0 HH11 ARG A 18 58.570 6.796 9.408 1.00 0.00 H new ATOM 0 HH12 ARG A 18 57.740 8.355 9.363 1.00 0.00 H new ATOM 0 HH21 ARG A 18 60.460 10.040 7.954 1.00 0.00 H new ATOM 0 HH22 ARG A 18 58.801 10.176 8.547 1.00 0.00 H new ATOM 324 N VAL A 19 61.466 4.265 4.621 1.00 0.00 N ATOM 325 CA VAL A 19 60.503 4.388 3.492 1.00 0.00 C ATOM 326 C VAL A 19 60.344 3.026 2.819 1.00 0.00 C ATOM 327 O VAL A 19 59.248 2.599 2.535 1.00 0.00 O ATOM 328 CB VAL A 19 60.963 5.486 2.490 1.00 0.00 C ATOM 329 CG1 VAL A 19 61.708 4.926 1.262 1.00 0.00 C ATOM 330 CG2 VAL A 19 59.720 6.223 1.998 1.00 0.00 C ATOM 0 H VAL A 19 62.372 4.710 4.475 1.00 0.00 H new ATOM 0 HA VAL A 19 59.530 4.700 3.871 1.00 0.00 H new ATOM 0 HB VAL A 19 61.659 6.137 3.018 1.00 0.00 H new ATOM 0 HG11 VAL A 19 61.999 5.747 0.607 1.00 0.00 H new ATOM 0 HG12 VAL A 19 62.599 4.391 1.590 1.00 0.00 H new ATOM 0 HG13 VAL A 19 61.054 4.244 0.719 1.00 0.00 H new ATOM 0 HG21 VAL A 19 60.013 7.000 1.292 1.00 0.00 H new ATOM 0 HG22 VAL A 19 59.051 5.518 1.504 1.00 0.00 H new ATOM 0 HG23 VAL A 19 59.207 6.677 2.846 1.00 0.00 H new ATOM 340 N ARG A 20 61.436 2.363 2.545 1.00 0.00 N ATOM 341 CA ARG A 20 61.354 1.029 1.880 1.00 0.00 C ATOM 342 C ARG A 20 60.618 0.051 2.781 1.00 0.00 C ATOM 343 O ARG A 20 59.745 -0.674 2.336 1.00 0.00 O ATOM 344 CB ARG A 20 62.762 0.506 1.594 1.00 0.00 C ATOM 345 CG ARG A 20 63.472 1.454 0.626 1.00 0.00 C ATOM 346 CD ARG A 20 64.688 0.756 0.008 1.00 0.00 C ATOM 347 NE ARG A 20 64.563 0.775 -1.476 1.00 0.00 N ATOM 348 CZ ARG A 20 65.573 0.417 -2.220 1.00 0.00 C ATOM 349 NH1 ARG A 20 66.159 -0.731 -2.016 1.00 0.00 N ATOM 350 NH2 ARG A 20 65.998 1.208 -3.167 1.00 0.00 N ATOM 0 H ARG A 20 62.381 2.687 2.753 1.00 0.00 H new ATOM 0 HA ARG A 20 60.811 1.130 0.940 1.00 0.00 H new ATOM 0 HB2 ARG A 20 63.327 0.427 2.522 1.00 0.00 H new ATOM 0 HB3 ARG A 20 62.710 -0.495 1.166 1.00 0.00 H new ATOM 0 HG2 ARG A 20 62.784 1.768 -0.159 1.00 0.00 H new ATOM 0 HG3 ARG A 20 63.788 2.355 1.152 1.00 0.00 H new ATOM 0 HD2 ARG A 20 65.605 1.259 0.314 1.00 0.00 H new ATOM 0 HD3 ARG A 20 64.753 -0.271 0.366 1.00 0.00 H new ATOM 0 HE ARG A 20 63.688 1.068 -1.910 1.00 0.00 H new ATOM 0 HH11 ARG A 20 65.827 -1.348 -1.275 1.00 0.00 H new ATOM 0 HH12 ARG A 20 66.949 -1.011 -2.598 1.00 0.00 H new ATOM 0 HH21 ARG A 20 65.541 2.106 -3.325 1.00 0.00 H new ATOM 0 HH22 ARG A 20 66.788 0.928 -3.749 1.00 0.00 H new ATOM 364 N TRP A 21 60.947 0.027 4.042 1.00 0.00 N ATOM 365 CA TRP A 21 60.245 -0.910 4.957 1.00 0.00 C ATOM 366 C TRP A 21 58.896 -0.320 5.386 1.00 0.00 C ATOM 367 O TRP A 21 58.092 -0.986 6.012 1.00 0.00 O ATOM 368 CB TRP A 21 61.183 -1.318 6.098 1.00 0.00 C ATOM 369 CG TRP A 21 62.430 -1.871 5.446 1.00 0.00 C ATOM 370 CD1 TRP A 21 63.702 -1.618 5.833 1.00 0.00 C ATOM 371 CD2 TRP A 21 62.532 -2.727 4.254 1.00 0.00 C ATOM 372 NE1 TRP A 21 64.574 -2.252 4.957 1.00 0.00 N ATOM 373 CE2 TRP A 21 63.898 -2.946 3.967 1.00 0.00 C ATOM 374 CE3 TRP A 21 61.582 -3.328 3.401 1.00 0.00 C ATOM 375 CZ2 TRP A 21 64.298 -3.723 2.868 1.00 0.00 C ATOM 376 CZ3 TRP A 21 61.977 -4.102 2.311 1.00 0.00 C ATOM 377 CH2 TRP A 21 63.332 -4.296 2.037 1.00 0.00 C ATOM 0 H TRP A 21 61.664 0.610 4.474 1.00 0.00 H new ATOM 0 HA TRP A 21 59.990 -1.840 4.449 1.00 0.00 H new ATOM 0 HB2 TRP A 21 61.422 -0.462 6.730 1.00 0.00 H new ATOM 0 HB3 TRP A 21 60.715 -2.066 6.738 1.00 0.00 H new ATOM 0 HD1 TRP A 21 63.992 -1.020 6.685 1.00 0.00 H new ATOM 0 HE1 TRP A 21 65.590 -2.211 5.034 1.00 0.00 H new ATOM 0 HE3 TRP A 21 60.529 -3.186 3.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 65.348 -3.877 2.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 61.230 -4.554 1.675 1.00 0.00 H new ATOM 0 HH2 TRP A 21 63.633 -4.887 1.185 1.00 0.00 H new ATOM 388 N SER A 22 58.586 0.875 4.924 1.00 0.00 N ATOM 389 CA SER A 22 57.240 1.442 5.155 1.00 0.00 C ATOM 390 C SER A 22 56.379 0.790 4.069 1.00 0.00 C ATOM 391 O SER A 22 55.276 0.335 4.306 1.00 0.00 O ATOM 392 CB SER A 22 57.260 2.963 4.988 1.00 0.00 C ATOM 393 OG SER A 22 57.396 3.572 6.265 1.00 0.00 O ATOM 0 H SER A 22 59.221 1.474 4.396 1.00 0.00 H new ATOM 0 HA SER A 22 56.867 1.251 6.161 1.00 0.00 H new ATOM 0 HB2 SER A 22 58.086 3.259 4.341 1.00 0.00 H new ATOM 0 HB3 SER A 22 56.342 3.300 4.507 1.00 0.00 H new ATOM 0 HG SER A 22 58.345 3.617 6.506 1.00 0.00 H new ATOM 399 N LEU A 23 56.938 0.661 2.873 1.00 0.00 N ATOM 400 CA LEU A 23 56.230 -0.051 1.765 1.00 0.00 C ATOM 401 C LEU A 23 55.863 -1.436 2.288 1.00 0.00 C ATOM 402 O LEU A 23 54.778 -1.932 2.089 1.00 0.00 O ATOM 403 CB LEU A 23 57.188 -0.301 0.588 1.00 0.00 C ATOM 404 CG LEU A 23 57.786 0.966 -0.011 1.00 0.00 C ATOM 405 CD1 LEU A 23 59.135 0.571 -0.631 1.00 0.00 C ATOM 406 CD2 LEU A 23 56.865 1.516 -1.112 1.00 0.00 C ATOM 0 H LEU A 23 57.859 1.024 2.627 1.00 0.00 H new ATOM 0 HA LEU A 23 55.374 0.544 1.446 1.00 0.00 H new ATOM 0 HB2 LEU A 23 57.998 -0.948 0.925 1.00 0.00 H new ATOM 0 HB3 LEU A 23 56.653 -0.841 -0.193 1.00 0.00 H new ATOM 0 HG LEU A 23 57.905 1.734 0.753 1.00 0.00 H new ATOM 0 HD11 LEU A 23 59.603 1.450 -1.074 1.00 0.00 H new ATOM 0 HD12 LEU A 23 59.786 0.165 0.143 1.00 0.00 H new ATOM 0 HD13 LEU A 23 58.974 -0.182 -1.402 1.00 0.00 H new ATOM 0 HD21 LEU A 23 57.302 2.421 -1.533 1.00 0.00 H new ATOM 0 HD22 LEU A 23 56.751 0.769 -1.897 1.00 0.00 H new ATOM 0 HD23 LEU A 23 55.888 1.748 -0.687 1.00 0.00 H new ATOM 418 N GLU A 24 56.813 -2.059 2.942 1.00 0.00 N ATOM 419 CA GLU A 24 56.611 -3.435 3.492 1.00 0.00 C ATOM 420 C GLU A 24 55.354 -3.514 4.359 1.00 0.00 C ATOM 421 O GLU A 24 54.510 -4.357 4.140 1.00 0.00 O ATOM 422 CB GLU A 24 57.821 -3.824 4.344 1.00 0.00 C ATOM 423 CG GLU A 24 58.145 -5.304 4.129 1.00 0.00 C ATOM 424 CD GLU A 24 59.091 -5.787 5.230 1.00 0.00 C ATOM 425 OE1 GLU A 24 58.731 -5.665 6.390 1.00 0.00 O ATOM 426 OE2 GLU A 24 60.160 -6.272 4.896 1.00 0.00 O ATOM 0 H GLU A 24 57.736 -1.664 3.121 1.00 0.00 H new ATOM 0 HA GLU A 24 56.496 -4.118 2.651 1.00 0.00 H new ATOM 0 HB2 GLU A 24 58.681 -3.210 4.075 1.00 0.00 H new ATOM 0 HB3 GLU A 24 57.613 -3.636 5.397 1.00 0.00 H new ATOM 0 HG2 GLU A 24 57.228 -5.893 4.139 1.00 0.00 H new ATOM 0 HG3 GLU A 24 58.605 -5.448 3.151 1.00 0.00 H new ATOM 433 N THR A 25 55.227 -2.667 5.356 1.00 0.00 N ATOM 434 CA THR A 25 54.018 -2.738 6.237 1.00 0.00 C ATOM 435 C THR A 25 52.754 -2.560 5.393 1.00 0.00 C ATOM 436 O THR A 25 51.699 -3.062 5.736 1.00 0.00 O ATOM 437 CB THR A 25 54.083 -1.665 7.333 1.00 0.00 C ATOM 438 OG1 THR A 25 52.918 -1.753 8.142 1.00 0.00 O ATOM 439 CG2 THR A 25 54.164 -0.270 6.712 1.00 0.00 C ATOM 0 H THR A 25 55.900 -1.939 5.595 1.00 0.00 H new ATOM 0 HA THR A 25 53.991 -3.715 6.719 1.00 0.00 H new ATOM 0 HB THR A 25 54.973 -1.832 7.939 1.00 0.00 H new ATOM 0 HG1 THR A 25 52.955 -1.071 8.845 1.00 0.00 H new ATOM 0 HG21 THR A 25 54.209 0.478 7.503 1.00 0.00 H new ATOM 0 HG22 THR A 25 55.058 -0.199 6.093 1.00 0.00 H new ATOM 0 HG23 THR A 25 53.282 -0.094 6.096 1.00 0.00 H new ATOM 447 N MET A 26 52.852 -1.857 4.290 1.00 0.00 N ATOM 448 CA MET A 26 51.647 -1.662 3.426 1.00 0.00 C ATOM 449 C MET A 26 51.367 -2.935 2.607 1.00 0.00 C ATOM 450 O MET A 26 50.234 -3.228 2.276 1.00 0.00 O ATOM 451 CB MET A 26 51.888 -0.487 2.475 1.00 0.00 C ATOM 452 CG MET A 26 51.292 0.787 3.078 1.00 0.00 C ATOM 453 SD MET A 26 51.386 2.130 1.868 1.00 0.00 S ATOM 454 CE MET A 26 52.901 2.895 2.495 1.00 0.00 C ATOM 0 H MET A 26 53.707 -1.414 3.954 1.00 0.00 H new ATOM 0 HA MET A 26 50.786 -1.453 4.060 1.00 0.00 H new ATOM 0 HB2 MET A 26 52.957 -0.356 2.305 1.00 0.00 H new ATOM 0 HB3 MET A 26 51.433 -0.691 1.506 1.00 0.00 H new ATOM 0 HG2 MET A 26 50.255 0.615 3.366 1.00 0.00 H new ATOM 0 HG3 MET A 26 51.833 1.061 3.984 1.00 0.00 H new ATOM 0 HE1 MET A 26 53.151 3.762 1.884 1.00 0.00 H new ATOM 0 HE2 MET A 26 52.749 3.210 3.527 1.00 0.00 H new ATOM 0 HE3 MET A 26 53.717 2.174 2.452 1.00 0.00 H new ATOM 464 N PHE A 27 52.390 -3.682 2.267 1.00 0.00 N ATOM 465 CA PHE A 27 52.191 -4.925 1.454 1.00 0.00 C ATOM 466 C PHE A 27 52.001 -6.162 2.346 1.00 0.00 C ATOM 467 O PHE A 27 51.698 -7.233 1.853 1.00 0.00 O ATOM 468 CB PHE A 27 53.422 -5.159 0.569 1.00 0.00 C ATOM 469 CG PHE A 27 53.443 -4.156 -0.558 1.00 0.00 C ATOM 470 CD1 PHE A 27 52.471 -4.214 -1.563 1.00 0.00 C ATOM 471 CD2 PHE A 27 54.440 -3.172 -0.603 1.00 0.00 C ATOM 472 CE1 PHE A 27 52.494 -3.288 -2.613 1.00 0.00 C ATOM 473 CE2 PHE A 27 54.462 -2.247 -1.654 1.00 0.00 C ATOM 474 CZ PHE A 27 53.489 -2.305 -2.658 1.00 0.00 C ATOM 0 H PHE A 27 53.358 -3.484 2.518 1.00 0.00 H new ATOM 0 HA PHE A 27 51.294 -4.784 0.851 1.00 0.00 H new ATOM 0 HB2 PHE A 27 54.331 -5.069 1.164 1.00 0.00 H new ATOM 0 HB3 PHE A 27 53.404 -6.172 0.166 1.00 0.00 H new ATOM 0 HD1 PHE A 27 51.703 -4.973 -1.529 1.00 0.00 H new ATOM 0 HD2 PHE A 27 55.191 -3.127 0.172 1.00 0.00 H new ATOM 0 HE1 PHE A 27 51.744 -3.332 -3.388 1.00 0.00 H new ATOM 0 HE2 PHE A 27 55.230 -1.489 -1.690 1.00 0.00 H new ATOM 0 HZ PHE A 27 53.506 -1.591 -3.468 1.00 0.00 H new ATOM 484 N LEU A 28 52.208 -6.047 3.636 1.00 0.00 N ATOM 485 CA LEU A 28 52.071 -7.244 4.521 1.00 0.00 C ATOM 486 C LEU A 28 50.648 -7.380 5.075 1.00 0.00 C ATOM 487 O LEU A 28 50.416 -8.130 6.005 1.00 0.00 O ATOM 488 CB LEU A 28 53.076 -7.133 5.665 1.00 0.00 C ATOM 489 CG LEU A 28 54.488 -7.133 5.076 1.00 0.00 C ATOM 490 CD1 LEU A 28 55.460 -6.475 6.055 1.00 0.00 C ATOM 491 CD2 LEU A 28 54.928 -8.574 4.807 1.00 0.00 C ATOM 0 H LEU A 28 52.464 -5.181 4.111 1.00 0.00 H new ATOM 0 HA LEU A 28 52.274 -8.137 3.930 1.00 0.00 H new ATOM 0 HB2 LEU A 28 52.903 -6.219 6.233 1.00 0.00 H new ATOM 0 HB3 LEU A 28 52.955 -7.966 6.357 1.00 0.00 H new ATOM 0 HG LEU A 28 54.487 -6.571 4.142 1.00 0.00 H new ATOM 0 HD11 LEU A 28 56.463 -6.478 5.629 1.00 0.00 H new ATOM 0 HD12 LEU A 28 55.149 -5.447 6.242 1.00 0.00 H new ATOM 0 HD13 LEU A 28 55.462 -7.029 6.993 1.00 0.00 H new ATOM 0 HD21 LEU A 28 55.934 -8.575 4.387 1.00 0.00 H new ATOM 0 HD22 LEU A 28 54.924 -9.136 5.741 1.00 0.00 H new ATOM 0 HD23 LEU A 28 54.240 -9.039 4.101 1.00 0.00 H new ATOM 503 N LYS A 29 49.691 -6.691 4.504 1.00 0.00 N ATOM 504 CA LYS A 29 48.286 -6.819 4.993 1.00 0.00 C ATOM 505 C LYS A 29 47.529 -7.735 4.030 1.00 0.00 C ATOM 506 O LYS A 29 46.775 -8.601 4.430 1.00 0.00 O ATOM 507 CB LYS A 29 47.615 -5.436 5.052 1.00 0.00 C ATOM 508 CG LYS A 29 47.499 -4.826 3.647 1.00 0.00 C ATOM 509 CD LYS A 29 47.002 -3.382 3.755 1.00 0.00 C ATOM 510 CE LYS A 29 45.588 -3.367 4.344 1.00 0.00 C ATOM 511 NZ LYS A 29 45.051 -1.977 4.313 1.00 0.00 N ATOM 0 H LYS A 29 49.822 -6.048 3.723 1.00 0.00 H new ATOM 0 HA LYS A 29 48.275 -7.241 5.998 1.00 0.00 H new ATOM 0 HB2 LYS A 29 46.624 -5.526 5.497 1.00 0.00 H new ATOM 0 HB3 LYS A 29 48.194 -4.773 5.695 1.00 0.00 H new ATOM 0 HG2 LYS A 29 48.467 -4.852 3.147 1.00 0.00 H new ATOM 0 HG3 LYS A 29 46.811 -5.414 3.040 1.00 0.00 H new ATOM 0 HD2 LYS A 29 47.675 -2.801 4.385 1.00 0.00 H new ATOM 0 HD3 LYS A 29 47.002 -2.912 2.771 1.00 0.00 H new ATOM 0 HE2 LYS A 29 44.938 -4.032 3.775 1.00 0.00 H new ATOM 0 HE3 LYS A 29 45.605 -3.739 5.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 44.091 -1.967 4.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 45.667 -1.354 4.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 45.020 -1.639 3.330 1.00 0.00 H new ATOM 525 N CYS A 30 47.754 -7.545 2.760 1.00 0.00 N ATOM 526 CA CYS A 30 47.098 -8.380 1.733 1.00 0.00 C ATOM 527 C CYS A 30 48.127 -8.658 0.618 1.00 0.00 C ATOM 528 O CYS A 30 48.885 -7.773 0.270 1.00 0.00 O ATOM 529 CB CYS A 30 45.898 -7.630 1.151 1.00 0.00 C ATOM 530 SG CYS A 30 44.415 -8.026 2.111 1.00 0.00 S ATOM 0 H CYS A 30 48.379 -6.829 2.390 1.00 0.00 H new ATOM 0 HA CYS A 30 46.748 -9.316 2.169 1.00 0.00 H new ATOM 0 HB2 CYS A 30 46.082 -6.556 1.172 1.00 0.00 H new ATOM 0 HB3 CYS A 30 45.753 -7.908 0.107 1.00 0.00 H new ATOM 0 HG CYS A 30 44.757 -8.362 3.319 1.00 0.00 H new ATOM 536 N PRO A 31 48.137 -9.863 0.075 1.00 0.00 N ATOM 537 CA PRO A 31 49.075 -10.229 -1.001 1.00 0.00 C ATOM 538 C PRO A 31 48.501 -9.826 -2.365 1.00 0.00 C ATOM 539 O PRO A 31 48.977 -10.275 -3.391 1.00 0.00 O ATOM 540 CB PRO A 31 49.135 -11.754 -0.916 1.00 0.00 C ATOM 541 CG PRO A 31 47.817 -12.201 -0.241 1.00 0.00 C ATOM 542 CD PRO A 31 47.243 -10.965 0.474 1.00 0.00 C ATOM 0 HA PRO A 31 50.045 -9.743 -0.898 1.00 0.00 H new ATOM 0 HB2 PRO A 31 49.234 -12.196 -1.908 1.00 0.00 H new ATOM 0 HB3 PRO A 31 49.999 -12.078 -0.336 1.00 0.00 H new ATOM 0 HG2 PRO A 31 47.113 -12.581 -0.981 1.00 0.00 H new ATOM 0 HG3 PRO A 31 48.000 -13.008 0.469 1.00 0.00 H new ATOM 0 HD2 PRO A 31 46.214 -10.772 0.170 1.00 0.00 H new ATOM 0 HD3 PRO A 31 47.236 -11.099 1.556 1.00 0.00 H new ATOM 550 N LYS A 32 47.463 -9.017 -2.390 1.00 0.00 N ATOM 551 CA LYS A 32 46.849 -8.636 -3.688 1.00 0.00 C ATOM 552 C LYS A 32 46.916 -7.106 -3.912 1.00 0.00 C ATOM 553 O LYS A 32 45.897 -6.442 -3.867 1.00 0.00 O ATOM 554 CB LYS A 32 45.382 -9.090 -3.686 1.00 0.00 C ATOM 555 CG LYS A 32 44.682 -8.594 -2.412 1.00 0.00 C ATOM 556 CD LYS A 32 43.167 -8.714 -2.584 1.00 0.00 C ATOM 557 CE LYS A 32 42.770 -10.190 -2.553 1.00 0.00 C ATOM 558 NZ LYS A 32 41.458 -10.366 -3.237 1.00 0.00 N ATOM 0 H LYS A 32 47.022 -8.610 -1.565 1.00 0.00 H new ATOM 0 HA LYS A 32 47.400 -9.118 -4.495 1.00 0.00 H new ATOM 0 HB2 LYS A 32 44.871 -8.701 -4.567 1.00 0.00 H new ATOM 0 HB3 LYS A 32 45.329 -10.177 -3.741 1.00 0.00 H new ATOM 0 HG2 LYS A 32 45.009 -9.180 -1.553 1.00 0.00 H new ATOM 0 HG3 LYS A 32 44.955 -7.558 -2.214 1.00 0.00 H new ATOM 0 HD2 LYS A 32 42.655 -8.171 -1.789 1.00 0.00 H new ATOM 0 HD3 LYS A 32 42.860 -8.263 -3.527 1.00 0.00 H new ATOM 0 HE2 LYS A 32 43.533 -10.793 -3.045 1.00 0.00 H new ATOM 0 HE3 LYS A 32 42.704 -10.538 -1.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 41.188 -11.370 -3.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 40.733 -9.802 -2.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 41.536 -10.049 -4.224 1.00 0.00 H new ATOM 572 N PRO A 33 48.096 -6.568 -4.169 1.00 0.00 N ATOM 573 CA PRO A 33 48.236 -5.122 -4.413 1.00 0.00 C ATOM 574 C PRO A 33 47.758 -4.788 -5.826 1.00 0.00 C ATOM 575 O PRO A 33 48.099 -5.461 -6.780 1.00 0.00 O ATOM 576 CB PRO A 33 49.736 -4.863 -4.263 1.00 0.00 C ATOM 577 CG PRO A 33 50.437 -6.218 -4.498 1.00 0.00 C ATOM 578 CD PRO A 33 49.377 -7.313 -4.249 1.00 0.00 C ATOM 0 HA PRO A 33 47.645 -4.510 -3.732 1.00 0.00 H new ATOM 0 HB2 PRO A 33 50.076 -4.120 -4.984 1.00 0.00 H new ATOM 0 HB3 PRO A 33 49.966 -4.474 -3.271 1.00 0.00 H new ATOM 0 HG2 PRO A 33 50.828 -6.281 -5.514 1.00 0.00 H new ATOM 0 HG3 PRO A 33 51.284 -6.338 -3.823 1.00 0.00 H new ATOM 0 HD2 PRO A 33 49.363 -8.044 -5.057 1.00 0.00 H new ATOM 0 HD3 PRO A 33 49.578 -7.860 -3.328 1.00 0.00 H new ATOM 586 N SER A 34 46.967 -3.758 -5.962 1.00 0.00 N ATOM 587 CA SER A 34 46.455 -3.373 -7.304 1.00 0.00 C ATOM 588 C SER A 34 47.502 -2.550 -8.027 1.00 0.00 C ATOM 589 O SER A 34 48.302 -1.880 -7.409 1.00 0.00 O ATOM 590 CB SER A 34 45.183 -2.540 -7.141 1.00 0.00 C ATOM 591 OG SER A 34 45.386 -1.563 -6.128 1.00 0.00 O ATOM 0 H SER A 34 46.653 -3.164 -5.194 1.00 0.00 H new ATOM 0 HA SER A 34 46.235 -4.271 -7.881 1.00 0.00 H new ATOM 0 HB2 SER A 34 44.929 -2.055 -8.084 1.00 0.00 H new ATOM 0 HB3 SER A 34 44.344 -3.184 -6.878 1.00 0.00 H new ATOM 0 HG SER A 34 44.572 -1.027 -6.023 1.00 0.00 H new ATOM 597 N LEU A 35 47.482 -2.565 -9.337 1.00 0.00 N ATOM 598 CA LEU A 35 48.451 -1.728 -10.102 1.00 0.00 C ATOM 599 C LEU A 35 48.176 -0.261 -9.755 1.00 0.00 C ATOM 600 O LEU A 35 49.041 0.592 -9.852 1.00 0.00 O ATOM 601 CB LEU A 35 48.255 -1.957 -11.601 1.00 0.00 C ATOM 602 CG LEU A 35 48.838 -3.324 -11.980 1.00 0.00 C ATOM 603 CD1 LEU A 35 47.850 -4.080 -12.872 1.00 0.00 C ATOM 604 CD2 LEU A 35 50.158 -3.132 -12.735 1.00 0.00 C ATOM 0 H LEU A 35 46.840 -3.118 -9.905 1.00 0.00 H new ATOM 0 HA LEU A 35 49.477 -1.992 -9.844 1.00 0.00 H new ATOM 0 HB2 LEU A 35 47.195 -1.918 -11.852 1.00 0.00 H new ATOM 0 HB3 LEU A 35 48.747 -1.168 -12.170 1.00 0.00 H new ATOM 0 HG LEU A 35 49.018 -3.898 -11.071 1.00 0.00 H new ATOM 0 HD11 LEU A 35 48.269 -5.050 -13.138 1.00 0.00 H new ATOM 0 HD12 LEU A 35 46.912 -4.225 -12.335 1.00 0.00 H new ATOM 0 HD13 LEU A 35 47.664 -3.504 -13.779 1.00 0.00 H new ATOM 0 HD21 LEU A 35 50.569 -4.105 -13.002 1.00 0.00 H new ATOM 0 HD22 LEU A 35 49.978 -2.553 -13.641 1.00 0.00 H new ATOM 0 HD23 LEU A 35 50.867 -2.601 -12.099 1.00 0.00 H new ATOM 616 N GLN A 36 46.973 0.019 -9.302 1.00 0.00 N ATOM 617 CA GLN A 36 46.629 1.407 -8.895 1.00 0.00 C ATOM 618 C GLN A 36 47.316 1.671 -7.561 1.00 0.00 C ATOM 619 O GLN A 36 47.807 2.752 -7.301 1.00 0.00 O ATOM 620 CB GLN A 36 45.114 1.538 -8.730 1.00 0.00 C ATOM 621 CG GLN A 36 44.717 3.013 -8.808 1.00 0.00 C ATOM 622 CD GLN A 36 43.280 3.130 -9.319 1.00 0.00 C ATOM 623 OE1 GLN A 36 43.046 3.628 -10.402 1.00 0.00 O ATOM 624 NE2 GLN A 36 42.301 2.688 -8.579 1.00 0.00 N ATOM 0 H GLN A 36 46.219 -0.661 -9.200 1.00 0.00 H new ATOM 0 HA GLN A 36 46.956 2.123 -9.649 1.00 0.00 H new ATOM 0 HB2 GLN A 36 44.603 0.971 -9.508 1.00 0.00 H new ATOM 0 HB3 GLN A 36 44.804 1.117 -7.773 1.00 0.00 H new ATOM 0 HG2 GLN A 36 44.803 3.476 -7.825 1.00 0.00 H new ATOM 0 HG3 GLN A 36 45.395 3.548 -9.473 1.00 0.00 H new ATOM 0 HE21 GLN A 36 42.498 2.270 -7.670 1.00 0.00 H new ATOM 0 HE22 GLN A 36 41.339 2.760 -8.910 1.00 0.00 H new ATOM 633 N GLN A 37 47.365 0.668 -6.722 1.00 0.00 N ATOM 634 CA GLN A 37 48.036 0.818 -5.404 1.00 0.00 C ATOM 635 C GLN A 37 49.550 0.908 -5.617 1.00 0.00 C ATOM 636 O GLN A 37 50.255 1.463 -4.798 1.00 0.00 O ATOM 637 CB GLN A 37 47.715 -0.389 -4.519 1.00 0.00 C ATOM 638 CG GLN A 37 48.257 -0.142 -3.110 1.00 0.00 C ATOM 639 CD GLN A 37 47.630 -1.141 -2.136 1.00 0.00 C ATOM 640 OE1 GLN A 37 46.836 -0.770 -1.294 1.00 0.00 O ATOM 641 NE2 GLN A 37 47.954 -2.403 -2.214 1.00 0.00 N ATOM 0 H GLN A 37 46.965 -0.253 -6.899 1.00 0.00 H new ATOM 0 HA GLN A 37 47.679 1.725 -4.916 1.00 0.00 H new ATOM 0 HB2 GLN A 37 46.638 -0.552 -4.483 1.00 0.00 H new ATOM 0 HB3 GLN A 37 48.160 -1.291 -4.939 1.00 0.00 H new ATOM 0 HG2 GLN A 37 49.342 -0.245 -3.104 1.00 0.00 H new ATOM 0 HG3 GLN A 37 48.032 0.877 -2.796 1.00 0.00 H new ATOM 0 HE21 GLN A 37 48.620 -2.716 -2.920 1.00 0.00 H new ATOM 0 HE22 GLN A 37 47.541 -3.076 -1.569 1.00 0.00 H new ATOM 650 N ILE A 38 50.058 0.383 -6.716 1.00 0.00 N ATOM 651 CA ILE A 38 51.527 0.470 -6.971 1.00 0.00 C ATOM 652 C ILE A 38 51.841 1.870 -7.501 1.00 0.00 C ATOM 653 O ILE A 38 52.920 2.385 -7.295 1.00 0.00 O ATOM 654 CB ILE A 38 51.978 -0.635 -7.957 1.00 0.00 C ATOM 655 CG1 ILE A 38 51.932 -1.996 -7.237 1.00 0.00 C ATOM 656 CG2 ILE A 38 53.422 -0.380 -8.441 1.00 0.00 C ATOM 657 CD1 ILE A 38 52.833 -1.966 -5.989 1.00 0.00 C ATOM 0 H ILE A 38 49.519 -0.096 -7.437 1.00 0.00 H new ATOM 0 HA ILE A 38 52.081 0.307 -6.047 1.00 0.00 H new ATOM 0 HB ILE A 38 51.310 -0.630 -8.818 1.00 0.00 H new ATOM 0 HG12 ILE A 38 50.907 -2.229 -6.949 1.00 0.00 H new ATOM 0 HG13 ILE A 38 52.261 -2.785 -7.913 1.00 0.00 H new ATOM 0 HG21 ILE A 38 53.718 -1.168 -9.133 1.00 0.00 H new ATOM 0 HG22 ILE A 38 53.471 0.584 -8.947 1.00 0.00 H new ATOM 0 HG23 ILE A 38 54.097 -0.376 -7.585 1.00 0.00 H new ATOM 0 HD11 ILE A 38 52.793 -2.933 -5.488 1.00 0.00 H new ATOM 0 HD12 ILE A 38 53.860 -1.754 -6.287 1.00 0.00 H new ATOM 0 HD13 ILE A 38 52.485 -1.190 -5.308 1.00 0.00 H new ATOM 669 N THR A 39 50.893 2.499 -8.149 1.00 0.00 N ATOM 670 CA THR A 39 51.128 3.889 -8.645 1.00 0.00 C ATOM 671 C THR A 39 51.122 4.813 -7.424 1.00 0.00 C ATOM 672 O THR A 39 51.907 5.735 -7.320 1.00 0.00 O ATOM 673 CB THR A 39 50.029 4.311 -9.630 1.00 0.00 C ATOM 674 OG1 THR A 39 48.851 3.555 -9.395 1.00 0.00 O ATOM 675 CG2 THR A 39 50.510 4.074 -11.062 1.00 0.00 C ATOM 0 H THR A 39 49.972 2.113 -8.355 1.00 0.00 H new ATOM 0 HA THR A 39 52.079 3.945 -9.174 1.00 0.00 H new ATOM 0 HB THR A 39 49.809 5.369 -9.488 1.00 0.00 H new ATOM 0 HG1 THR A 39 48.607 3.616 -8.448 1.00 0.00 H new ATOM 0 HG21 THR A 39 49.730 4.373 -11.762 1.00 0.00 H new ATOM 0 HG22 THR A 39 51.409 4.663 -11.246 1.00 0.00 H new ATOM 0 HG23 THR A 39 50.735 3.016 -11.200 1.00 0.00 H new ATOM 683 N HIS A 40 50.258 4.532 -6.480 1.00 0.00 N ATOM 684 CA HIS A 40 50.203 5.342 -5.226 1.00 0.00 C ATOM 685 C HIS A 40 51.401 4.968 -4.348 1.00 0.00 C ATOM 686 O HIS A 40 51.850 5.749 -3.534 1.00 0.00 O ATOM 687 CB HIS A 40 48.901 5.043 -4.478 1.00 0.00 C ATOM 688 CG HIS A 40 48.498 6.247 -3.672 1.00 0.00 C ATOM 689 ND1 HIS A 40 49.012 6.496 -2.410 1.00 0.00 N ATOM 690 CD2 HIS A 40 47.635 7.282 -3.936 1.00 0.00 C ATOM 691 CE1 HIS A 40 48.459 7.640 -1.965 1.00 0.00 C ATOM 692 NE2 HIS A 40 47.612 8.160 -2.858 1.00 0.00 N ATOM 0 H HIS A 40 49.583 3.769 -6.526 1.00 0.00 H new ATOM 0 HA HIS A 40 50.237 6.405 -5.467 1.00 0.00 H new ATOM 0 HB2 HIS A 40 48.113 4.786 -5.186 1.00 0.00 H new ATOM 0 HB3 HIS A 40 49.035 4.182 -3.823 1.00 0.00 H new ATOM 0 HD2 HIS A 40 47.061 7.397 -4.844 1.00 0.00 H new ATOM 0 HE1 HIS A 40 48.674 8.083 -1.004 1.00 0.00 H new ATOM 0 HE2 HIS A 40 47.066 9.017 -2.768 1.00 0.00 H new ATOM 700 N ILE A 41 51.934 3.784 -4.531 1.00 0.00 N ATOM 701 CA ILE A 41 53.120 3.351 -3.747 1.00 0.00 C ATOM 702 C ILE A 41 54.298 4.222 -4.201 1.00 0.00 C ATOM 703 O ILE A 41 55.052 4.726 -3.407 1.00 0.00 O ATOM 704 CB ILE A 41 53.354 1.835 -4.032 1.00 0.00 C ATOM 705 CG1 ILE A 41 53.097 1.008 -2.755 1.00 0.00 C ATOM 706 CG2 ILE A 41 54.771 1.528 -4.545 1.00 0.00 C ATOM 707 CD1 ILE A 41 51.795 0.214 -2.907 1.00 0.00 C ATOM 0 H ILE A 41 51.589 3.095 -5.200 1.00 0.00 H new ATOM 0 HA ILE A 41 52.992 3.471 -2.671 1.00 0.00 H new ATOM 0 HB ILE A 41 52.651 1.561 -4.819 1.00 0.00 H new ATOM 0 HG12 ILE A 41 53.930 0.328 -2.577 1.00 0.00 H new ATOM 0 HG13 ILE A 41 53.033 1.668 -1.890 1.00 0.00 H new ATOM 0 HG21 ILE A 41 54.869 0.457 -4.724 1.00 0.00 H new ATOM 0 HG22 ILE A 41 54.946 2.069 -5.475 1.00 0.00 H new ATOM 0 HG23 ILE A 41 55.503 1.840 -3.800 1.00 0.00 H new ATOM 0 HD11 ILE A 41 51.617 -0.369 -2.003 1.00 0.00 H new ATOM 0 HD12 ILE A 41 50.965 0.903 -3.064 1.00 0.00 H new ATOM 0 HD13 ILE A 41 51.876 -0.458 -3.762 1.00 0.00 H new ATOM 719 N ALA A 42 54.437 4.394 -5.488 1.00 0.00 N ATOM 720 CA ALA A 42 55.552 5.217 -6.038 1.00 0.00 C ATOM 721 C ALA A 42 55.437 6.642 -5.526 1.00 0.00 C ATOM 722 O ALA A 42 56.358 7.170 -4.932 1.00 0.00 O ATOM 723 CB ALA A 42 55.490 5.200 -7.564 1.00 0.00 C ATOM 0 H ALA A 42 53.816 3.993 -6.191 1.00 0.00 H new ATOM 0 HA ALA A 42 56.507 4.802 -5.714 1.00 0.00 H new ATOM 0 HB1 ALA A 42 56.304 5.801 -7.968 1.00 0.00 H new ATOM 0 HB2 ALA A 42 55.585 4.174 -7.921 1.00 0.00 H new ATOM 0 HB3 ALA A 42 54.536 5.612 -7.894 1.00 0.00 H new ATOM 729 N ASN A 43 54.302 7.255 -5.715 1.00 0.00 N ATOM 730 CA ASN A 43 54.109 8.633 -5.193 1.00 0.00 C ATOM 731 C ASN A 43 54.183 8.586 -3.656 1.00 0.00 C ATOM 732 O ASN A 43 54.367 9.596 -3.004 1.00 0.00 O ATOM 733 CB ASN A 43 52.743 9.163 -5.631 1.00 0.00 C ATOM 734 CG ASN A 43 52.882 9.871 -6.980 1.00 0.00 C ATOM 735 OD1 ASN A 43 53.941 10.363 -7.314 1.00 0.00 O ATOM 736 ND2 ASN A 43 51.849 9.944 -7.774 1.00 0.00 N ATOM 0 H ASN A 43 53.501 6.860 -6.208 1.00 0.00 H new ATOM 0 HA ASN A 43 54.883 9.294 -5.583 1.00 0.00 H new ATOM 0 HB2 ASN A 43 52.030 8.342 -5.710 1.00 0.00 H new ATOM 0 HB3 ASN A 43 52.352 9.854 -4.884 1.00 0.00 H new ATOM 0 HD21 ASN A 43 51.931 10.414 -8.675 1.00 0.00 H new ATOM 0 HD22 ASN A 43 50.960 9.531 -7.493 1.00 0.00 H new ATOM 743 N GLN A 44 54.045 7.408 -3.076 1.00 0.00 N ATOM 744 CA GLN A 44 54.110 7.274 -1.598 1.00 0.00 C ATOM 745 C GLN A 44 55.566 7.411 -1.128 1.00 0.00 C ATOM 746 O GLN A 44 55.824 7.914 -0.050 1.00 0.00 O ATOM 747 CB GLN A 44 53.536 5.908 -1.192 1.00 0.00 C ATOM 748 CG GLN A 44 52.133 6.072 -0.595 1.00 0.00 C ATOM 749 CD GLN A 44 52.200 6.932 0.670 1.00 0.00 C ATOM 750 OE1 GLN A 44 52.713 6.503 1.685 1.00 0.00 O ATOM 751 NE2 GLN A 44 51.696 8.136 0.654 1.00 0.00 N ATOM 0 H GLN A 44 53.889 6.534 -3.578 1.00 0.00 H new ATOM 0 HA GLN A 44 53.522 8.061 -1.127 1.00 0.00 H new ATOM 0 HB2 GLN A 44 53.494 5.252 -2.061 1.00 0.00 H new ATOM 0 HB3 GLN A 44 54.194 5.432 -0.465 1.00 0.00 H new ATOM 0 HG2 GLN A 44 51.470 6.536 -1.325 1.00 0.00 H new ATOM 0 HG3 GLN A 44 51.713 5.094 -0.358 1.00 0.00 H new ATOM 0 HE21 GLN A 44 51.265 8.497 -0.197 1.00 0.00 H new ATOM 0 HE22 GLN A 44 51.733 8.716 1.493 1.00 0.00 H new ATOM 760 N LEU A 45 56.522 6.985 -1.928 1.00 0.00 N ATOM 761 CA LEU A 45 57.959 7.120 -1.509 1.00 0.00 C ATOM 762 C LEU A 45 58.793 7.845 -2.589 1.00 0.00 C ATOM 763 O LEU A 45 60.007 7.778 -2.598 1.00 0.00 O ATOM 764 CB LEU A 45 58.544 5.738 -1.149 1.00 0.00 C ATOM 765 CG LEU A 45 58.894 4.910 -2.385 1.00 0.00 C ATOM 766 CD1 LEU A 45 59.762 3.721 -1.961 1.00 0.00 C ATOM 767 CD2 LEU A 45 57.612 4.391 -3.012 1.00 0.00 C ATOM 0 H LEU A 45 56.372 6.555 -2.841 1.00 0.00 H new ATOM 0 HA LEU A 45 58.004 7.740 -0.614 1.00 0.00 H new ATOM 0 HB2 LEU A 45 59.439 5.873 -0.541 1.00 0.00 H new ATOM 0 HB3 LEU A 45 57.825 5.190 -0.540 1.00 0.00 H new ATOM 0 HG LEU A 45 59.435 5.525 -3.104 1.00 0.00 H new ATOM 0 HD11 LEU A 45 60.016 3.125 -2.838 1.00 0.00 H new ATOM 0 HD12 LEU A 45 60.676 4.086 -1.493 1.00 0.00 H new ATOM 0 HD13 LEU A 45 59.212 3.104 -1.250 1.00 0.00 H new ATOM 0 HD21 LEU A 45 57.853 3.799 -3.895 1.00 0.00 H new ATOM 0 HD22 LEU A 45 57.081 3.769 -2.292 1.00 0.00 H new ATOM 0 HD23 LEU A 45 56.981 5.232 -3.300 1.00 0.00 H new ATOM 779 N GLY A 46 58.145 8.576 -3.462 1.00 0.00 N ATOM 780 CA GLY A 46 58.865 9.369 -4.516 1.00 0.00 C ATOM 781 C GLY A 46 59.975 8.573 -5.224 1.00 0.00 C ATOM 782 O GLY A 46 60.958 9.146 -5.657 1.00 0.00 O ATOM 0 H GLY A 46 57.129 8.660 -3.492 1.00 0.00 H new ATOM 0 HA2 GLY A 46 58.144 9.713 -5.258 1.00 0.00 H new ATOM 0 HA3 GLY A 46 59.300 10.258 -4.059 1.00 0.00 H new ATOM 786 N LEU A 47 59.828 7.282 -5.372 1.00 0.00 N ATOM 787 CA LEU A 47 60.891 6.490 -6.088 1.00 0.00 C ATOM 788 C LEU A 47 60.452 6.230 -7.539 1.00 0.00 C ATOM 789 O LEU A 47 59.380 6.624 -7.956 1.00 0.00 O ATOM 790 CB LEU A 47 61.177 5.149 -5.349 1.00 0.00 C ATOM 791 CG LEU A 47 60.325 3.977 -5.883 1.00 0.00 C ATOM 792 CD1 LEU A 47 60.549 2.732 -5.023 1.00 0.00 C ATOM 793 CD2 LEU A 47 58.847 4.342 -5.867 1.00 0.00 C ATOM 0 H LEU A 47 59.031 6.741 -5.036 1.00 0.00 H new ATOM 0 HA LEU A 47 61.815 7.067 -6.095 1.00 0.00 H new ATOM 0 HB2 LEU A 47 62.233 4.901 -5.452 1.00 0.00 H new ATOM 0 HB3 LEU A 47 60.983 5.278 -4.284 1.00 0.00 H new ATOM 0 HG LEU A 47 60.630 3.771 -6.909 1.00 0.00 H new ATOM 0 HD11 LEU A 47 59.944 1.911 -5.407 1.00 0.00 H new ATOM 0 HD12 LEU A 47 61.602 2.453 -5.055 1.00 0.00 H new ATOM 0 HD13 LEU A 47 60.261 2.944 -3.993 1.00 0.00 H new ATOM 0 HD21 LEU A 47 58.261 3.505 -6.247 1.00 0.00 H new ATOM 0 HD22 LEU A 47 58.539 4.567 -4.846 1.00 0.00 H new ATOM 0 HD23 LEU A 47 58.681 5.216 -6.497 1.00 0.00 H new ATOM 805 N GLU A 48 61.269 5.534 -8.286 1.00 0.00 N ATOM 806 CA GLU A 48 60.912 5.198 -9.688 1.00 0.00 C ATOM 807 C GLU A 48 60.196 3.845 -9.693 1.00 0.00 C ATOM 808 O GLU A 48 60.504 2.968 -8.910 1.00 0.00 O ATOM 809 CB GLU A 48 62.178 5.117 -10.541 1.00 0.00 C ATOM 810 CG GLU A 48 61.845 5.518 -11.983 1.00 0.00 C ATOM 811 CD GLU A 48 62.169 7.000 -12.223 1.00 0.00 C ATOM 812 OE1 GLU A 48 62.579 7.671 -11.287 1.00 0.00 O ATOM 813 OE2 GLU A 48 61.998 7.441 -13.347 1.00 0.00 O ATOM 0 H GLU A 48 62.176 5.183 -7.978 1.00 0.00 H new ATOM 0 HA GLU A 48 60.261 5.968 -10.103 1.00 0.00 H new ATOM 0 HB2 GLU A 48 62.946 5.776 -10.136 1.00 0.00 H new ATOM 0 HB3 GLU A 48 62.582 4.105 -10.517 1.00 0.00 H new ATOM 0 HG2 GLU A 48 62.413 4.899 -12.678 1.00 0.00 H new ATOM 0 HG3 GLU A 48 60.789 5.335 -12.182 1.00 0.00 H new ATOM 820 N LYS A 49 59.243 3.671 -10.563 1.00 0.00 N ATOM 821 CA LYS A 49 58.490 2.378 -10.618 1.00 0.00 C ATOM 822 C LYS A 49 59.448 1.197 -10.817 1.00 0.00 C ATOM 823 O LYS A 49 59.108 0.066 -10.521 1.00 0.00 O ATOM 824 CB LYS A 49 57.490 2.418 -11.778 1.00 0.00 C ATOM 825 CG LYS A 49 56.472 1.276 -11.625 1.00 0.00 C ATOM 826 CD LYS A 49 56.379 0.488 -12.934 1.00 0.00 C ATOM 827 CE LYS A 49 57.401 -0.650 -12.917 1.00 0.00 C ATOM 828 NZ LYS A 49 57.137 -1.573 -14.058 1.00 0.00 N ATOM 0 H LYS A 49 58.948 4.370 -11.245 1.00 0.00 H new ATOM 0 HA LYS A 49 57.962 2.245 -9.673 1.00 0.00 H new ATOM 0 HB2 LYS A 49 56.974 3.378 -11.793 1.00 0.00 H new ATOM 0 HB3 LYS A 49 58.016 2.324 -12.728 1.00 0.00 H new ATOM 0 HG2 LYS A 49 56.772 0.615 -10.812 1.00 0.00 H new ATOM 0 HG3 LYS A 49 55.494 1.680 -11.363 1.00 0.00 H new ATOM 0 HD2 LYS A 49 55.373 0.086 -13.059 1.00 0.00 H new ATOM 0 HD3 LYS A 49 56.566 1.147 -13.782 1.00 0.00 H new ATOM 0 HE2 LYS A 49 58.411 -0.247 -12.988 1.00 0.00 H new ATOM 0 HE3 LYS A 49 57.340 -1.194 -11.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 57.832 -2.347 -14.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 56.178 -1.967 -13.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 57.216 -1.050 -14.953 1.00 0.00 H new ATOM 842 N ASP A 50 60.634 1.440 -11.323 1.00 0.00 N ATOM 843 CA ASP A 50 61.591 0.316 -11.546 1.00 0.00 C ATOM 844 C ASP A 50 62.173 -0.163 -10.212 1.00 0.00 C ATOM 845 O ASP A 50 62.374 -1.349 -10.020 1.00 0.00 O ATOM 846 CB ASP A 50 62.719 0.758 -12.492 1.00 0.00 C ATOM 847 CG ASP A 50 63.553 1.874 -11.853 1.00 0.00 C ATOM 848 OD1 ASP A 50 64.255 1.590 -10.898 1.00 0.00 O ATOM 849 OD2 ASP A 50 63.481 2.989 -12.338 1.00 0.00 O ATOM 0 H ASP A 50 60.977 2.363 -11.589 1.00 0.00 H new ATOM 0 HA ASP A 50 61.053 -0.513 -12.007 1.00 0.00 H new ATOM 0 HB2 ASP A 50 63.359 -0.093 -12.726 1.00 0.00 H new ATOM 0 HB3 ASP A 50 62.295 1.107 -13.434 1.00 0.00 H new ATOM 854 N VAL A 51 62.433 0.729 -9.282 1.00 0.00 N ATOM 855 CA VAL A 51 62.987 0.279 -7.973 1.00 0.00 C ATOM 856 C VAL A 51 61.834 -0.208 -7.083 1.00 0.00 C ATOM 857 O VAL A 51 62.035 -0.972 -6.159 1.00 0.00 O ATOM 858 CB VAL A 51 63.739 1.438 -7.297 1.00 0.00 C ATOM 859 CG1 VAL A 51 62.777 2.597 -7.010 1.00 0.00 C ATOM 860 CG2 VAL A 51 64.362 0.943 -5.987 1.00 0.00 C ATOM 0 H VAL A 51 62.286 1.734 -9.375 1.00 0.00 H new ATOM 0 HA VAL A 51 63.689 -0.540 -8.129 1.00 0.00 H new ATOM 0 HB VAL A 51 64.525 1.793 -7.964 1.00 0.00 H new ATOM 0 HG11 VAL A 51 63.321 3.411 -6.531 1.00 0.00 H new ATOM 0 HG12 VAL A 51 62.344 2.950 -7.946 1.00 0.00 H new ATOM 0 HG13 VAL A 51 61.981 2.254 -6.349 1.00 0.00 H new ATOM 0 HG21 VAL A 51 64.896 1.762 -5.506 1.00 0.00 H new ATOM 0 HG22 VAL A 51 63.576 0.583 -5.324 1.00 0.00 H new ATOM 0 HG23 VAL A 51 65.058 0.131 -6.199 1.00 0.00 H new ATOM 870 N VAL A 52 60.626 0.232 -7.360 1.00 0.00 N ATOM 871 CA VAL A 52 59.465 -0.200 -6.539 1.00 0.00 C ATOM 872 C VAL A 52 59.061 -1.628 -6.938 1.00 0.00 C ATOM 873 O VAL A 52 58.541 -2.378 -6.134 1.00 0.00 O ATOM 874 CB VAL A 52 58.302 0.811 -6.727 1.00 0.00 C ATOM 875 CG1 VAL A 52 57.330 0.392 -7.845 1.00 0.00 C ATOM 876 CG2 VAL A 52 57.542 0.932 -5.408 1.00 0.00 C ATOM 0 H VAL A 52 60.402 0.872 -8.122 1.00 0.00 H new ATOM 0 HA VAL A 52 59.727 -0.214 -5.481 1.00 0.00 H new ATOM 0 HB VAL A 52 58.733 1.768 -7.020 1.00 0.00 H new ATOM 0 HG11 VAL A 52 56.536 1.134 -7.934 1.00 0.00 H new ATOM 0 HG12 VAL A 52 57.870 0.323 -8.789 1.00 0.00 H new ATOM 0 HG13 VAL A 52 56.895 -0.578 -7.604 1.00 0.00 H new ATOM 0 HG21 VAL A 52 56.721 1.640 -5.525 1.00 0.00 H new ATOM 0 HG22 VAL A 52 57.144 -0.043 -5.127 1.00 0.00 H new ATOM 0 HG23 VAL A 52 58.218 1.286 -4.630 1.00 0.00 H new ATOM 886 N ARG A 53 59.294 -2.000 -8.174 1.00 0.00 N ATOM 887 CA ARG A 53 58.921 -3.373 -8.621 1.00 0.00 C ATOM 888 C ARG A 53 60.017 -4.355 -8.208 1.00 0.00 C ATOM 889 O ARG A 53 59.737 -5.418 -7.690 1.00 0.00 O ATOM 890 CB ARG A 53 58.749 -3.394 -10.142 1.00 0.00 C ATOM 891 CG ARG A 53 57.687 -4.433 -10.526 1.00 0.00 C ATOM 892 CD ARG A 53 56.324 -4.042 -9.944 1.00 0.00 C ATOM 893 NE ARG A 53 55.290 -4.119 -11.013 1.00 0.00 N ATOM 894 CZ ARG A 53 54.729 -5.263 -11.296 1.00 0.00 C ATOM 895 NH1 ARG A 53 55.454 -6.248 -11.754 1.00 0.00 N ATOM 896 NH2 ARG A 53 53.445 -5.422 -11.117 1.00 0.00 N ATOM 0 H ARG A 53 59.725 -1.412 -8.888 1.00 0.00 H new ATOM 0 HA ARG A 53 57.980 -3.664 -8.155 1.00 0.00 H new ATOM 0 HB2 ARG A 53 58.452 -2.407 -10.498 1.00 0.00 H new ATOM 0 HB3 ARG A 53 59.698 -3.634 -10.622 1.00 0.00 H new ATOM 0 HG2 ARG A 53 57.618 -4.509 -11.611 1.00 0.00 H new ATOM 0 HG3 ARG A 53 57.980 -5.416 -10.156 1.00 0.00 H new ATOM 0 HD2 ARG A 53 56.063 -4.708 -9.121 1.00 0.00 H new ATOM 0 HD3 ARG A 53 56.367 -3.032 -9.536 1.00 0.00 H new ATOM 0 HE ARG A 53 55.020 -3.278 -11.524 1.00 0.00 H new ATOM 0 HH11 ARG A 53 56.457 -6.123 -11.890 1.00 0.00 H new ATOM 0 HH12 ARG A 53 55.017 -7.143 -11.976 1.00 0.00 H new ATOM 0 HH21 ARG A 53 52.881 -4.652 -10.756 1.00 0.00 H new ATOM 0 HH22 ARG A 53 53.006 -6.316 -11.338 1.00 0.00 H new ATOM 910 N VAL A 54 61.262 -4.003 -8.420 1.00 0.00 N ATOM 911 CA VAL A 54 62.375 -4.917 -8.023 1.00 0.00 C ATOM 912 C VAL A 54 62.389 -5.043 -6.494 1.00 0.00 C ATOM 913 O VAL A 54 62.757 -6.067 -5.950 1.00 0.00 O ATOM 914 CB VAL A 54 63.709 -4.347 -8.524 1.00 0.00 C ATOM 915 CG1 VAL A 54 64.862 -5.270 -8.116 1.00 0.00 C ATOM 916 CG2 VAL A 54 63.670 -4.240 -10.051 1.00 0.00 C ATOM 0 H VAL A 54 61.554 -3.125 -8.849 1.00 0.00 H new ATOM 0 HA VAL A 54 62.229 -5.903 -8.465 1.00 0.00 H new ATOM 0 HB VAL A 54 63.864 -3.362 -8.083 1.00 0.00 H new ATOM 0 HG11 VAL A 54 65.804 -4.857 -8.476 1.00 0.00 H new ATOM 0 HG12 VAL A 54 64.894 -5.354 -7.030 1.00 0.00 H new ATOM 0 HG13 VAL A 54 64.709 -6.257 -8.551 1.00 0.00 H new ATOM 0 HG21 VAL A 54 64.616 -3.835 -10.412 1.00 0.00 H new ATOM 0 HG22 VAL A 54 63.511 -5.229 -10.481 1.00 0.00 H new ATOM 0 HG23 VAL A 54 62.856 -3.579 -10.349 1.00 0.00 H new ATOM 926 N TRP A 55 61.977 -4.009 -5.800 1.00 0.00 N ATOM 927 CA TRP A 55 61.946 -4.060 -4.308 1.00 0.00 C ATOM 928 C TRP A 55 60.761 -4.926 -3.874 1.00 0.00 C ATOM 929 O TRP A 55 60.879 -5.718 -2.956 1.00 0.00 O ATOM 930 CB TRP A 55 61.822 -2.622 -3.757 1.00 0.00 C ATOM 931 CG TRP A 55 61.581 -2.629 -2.273 1.00 0.00 C ATOM 932 CD1 TRP A 55 62.529 -2.454 -1.315 1.00 0.00 C ATOM 933 CD2 TRP A 55 60.319 -2.819 -1.567 1.00 0.00 C ATOM 934 NE1 TRP A 55 61.923 -2.507 -0.081 1.00 0.00 N ATOM 935 CE2 TRP A 55 60.564 -2.746 -0.179 1.00 0.00 C ATOM 936 CE3 TRP A 55 58.998 -3.044 -1.994 1.00 0.00 C ATOM 937 CZ2 TRP A 55 59.534 -2.900 0.752 1.00 0.00 C ATOM 938 CZ3 TRP A 55 57.961 -3.196 -1.062 1.00 0.00 C ATOM 939 CH2 TRP A 55 58.229 -3.129 0.306 1.00 0.00 C ATOM 0 H TRP A 55 61.660 -3.129 -6.207 1.00 0.00 H new ATOM 0 HA TRP A 55 62.862 -4.499 -3.913 1.00 0.00 H new ATOM 0 HB2 TRP A 55 62.733 -2.065 -3.978 1.00 0.00 H new ATOM 0 HB3 TRP A 55 61.003 -2.106 -4.259 1.00 0.00 H new ATOM 0 HD1 TRP A 55 63.583 -2.299 -1.493 1.00 0.00 H new ATOM 0 HE1 TRP A 55 62.418 -2.384 0.803 1.00 0.00 H new ATOM 0 HE3 TRP A 55 58.780 -3.100 -3.050 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 59.745 -2.843 1.810 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 56.951 -3.366 -1.404 1.00 0.00 H new ATOM 0 HH2 TRP A 55 57.428 -3.254 1.020 1.00 0.00 H new ATOM 950 N PHE A 56 59.631 -4.802 -4.530 1.00 0.00 N ATOM 951 CA PHE A 56 58.472 -5.650 -4.141 1.00 0.00 C ATOM 952 C PHE A 56 58.478 -6.963 -4.933 1.00 0.00 C ATOM 953 O PHE A 56 57.581 -7.771 -4.790 1.00 0.00 O ATOM 954 CB PHE A 56 57.145 -4.923 -4.364 1.00 0.00 C ATOM 955 CG PHE A 56 56.081 -5.629 -3.549 1.00 0.00 C ATOM 956 CD1 PHE A 56 56.259 -5.800 -2.169 1.00 0.00 C ATOM 957 CD2 PHE A 56 54.932 -6.132 -4.169 1.00 0.00 C ATOM 958 CE1 PHE A 56 55.297 -6.467 -1.414 1.00 0.00 C ATOM 959 CE2 PHE A 56 53.967 -6.805 -3.409 1.00 0.00 C ATOM 960 CZ PHE A 56 54.153 -6.970 -2.030 1.00 0.00 C ATOM 0 H PHE A 56 59.467 -4.159 -5.305 1.00 0.00 H new ATOM 0 HA PHE A 56 58.570 -5.868 -3.077 1.00 0.00 H new ATOM 0 HB2 PHE A 56 57.227 -3.879 -4.061 1.00 0.00 H new ATOM 0 HB3 PHE A 56 56.881 -4.928 -5.421 1.00 0.00 H new ATOM 0 HD1 PHE A 56 57.146 -5.413 -1.689 1.00 0.00 H new ATOM 0 HD2 PHE A 56 54.789 -6.002 -5.232 1.00 0.00 H new ATOM 0 HE1 PHE A 56 55.438 -6.594 -0.351 1.00 0.00 H new ATOM 0 HE2 PHE A 56 53.080 -7.196 -3.885 1.00 0.00 H new ATOM 0 HZ PHE A 56 53.408 -7.488 -1.444 1.00 0.00 H new ATOM 970 N CYS A 57 59.487 -7.201 -5.743 1.00 0.00 N ATOM 971 CA CYS A 57 59.544 -8.481 -6.506 1.00 0.00 C ATOM 972 C CYS A 57 60.106 -9.549 -5.577 1.00 0.00 C ATOM 973 O CYS A 57 59.685 -10.691 -5.594 1.00 0.00 O ATOM 974 CB CYS A 57 60.450 -8.321 -7.730 1.00 0.00 C ATOM 975 SG CYS A 57 59.446 -7.916 -9.182 1.00 0.00 S ATOM 0 H CYS A 57 60.267 -6.564 -5.904 1.00 0.00 H new ATOM 0 HA CYS A 57 58.550 -8.763 -6.853 1.00 0.00 H new ATOM 0 HB2 CYS A 57 61.183 -7.534 -7.552 1.00 0.00 H new ATOM 0 HB3 CYS A 57 61.007 -9.242 -7.906 1.00 0.00 H new ATOM 0 HG CYS A 57 59.280 -6.628 -9.249 1.00 0.00 H new ATOM 981 N ASN A 58 61.033 -9.168 -4.736 1.00 0.00 N ATOM 982 CA ASN A 58 61.603 -10.133 -3.763 1.00 0.00 C ATOM 983 C ASN A 58 60.641 -10.202 -2.580 1.00 0.00 C ATOM 984 O ASN A 58 60.413 -11.250 -2.006 1.00 0.00 O ATOM 985 CB ASN A 58 62.977 -9.647 -3.295 1.00 0.00 C ATOM 986 CG ASN A 58 63.960 -9.688 -4.467 1.00 0.00 C ATOM 987 OD1 ASN A 58 64.014 -8.772 -5.262 1.00 0.00 O ATOM 988 ND2 ASN A 58 64.747 -10.720 -4.608 1.00 0.00 N ATOM 0 H ASN A 58 61.418 -8.225 -4.685 1.00 0.00 H new ATOM 0 HA ASN A 58 61.727 -11.116 -4.216 1.00 0.00 H new ATOM 0 HB2 ASN A 58 62.902 -8.632 -2.905 1.00 0.00 H new ATOM 0 HB3 ASN A 58 63.339 -10.275 -2.481 1.00 0.00 H new ATOM 0 HD21 ASN A 58 65.406 -10.756 -5.385 1.00 0.00 H new ATOM 0 HD22 ASN A 58 64.703 -11.490 -3.941 1.00 0.00 H new ATOM 995 N ARG A 59 60.060 -9.079 -2.227 1.00 0.00 N ATOM 996 CA ARG A 59 59.087 -9.054 -1.093 1.00 0.00 C ATOM 997 C ARG A 59 57.897 -9.972 -1.412 1.00 0.00 C ATOM 998 O ARG A 59 57.251 -10.487 -0.518 1.00 0.00 O ATOM 999 CB ARG A 59 58.582 -7.616 -0.891 1.00 0.00 C ATOM 1000 CG ARG A 59 58.928 -7.120 0.511 1.00 0.00 C ATOM 1001 CD ARG A 59 60.449 -7.061 0.674 1.00 0.00 C ATOM 1002 NE ARG A 59 60.790 -6.840 2.107 1.00 0.00 N ATOM 1003 CZ ARG A 59 61.613 -7.649 2.714 1.00 0.00 C ATOM 1004 NH1 ARG A 59 62.891 -7.589 2.462 1.00 0.00 N ATOM 1005 NH2 ARG A 59 61.157 -8.520 3.572 1.00 0.00 N ATOM 0 H ARG A 59 60.220 -8.178 -2.678 1.00 0.00 H new ATOM 0 HA ARG A 59 59.578 -9.403 -0.185 1.00 0.00 H new ATOM 0 HB2 ARG A 59 59.030 -6.959 -1.636 1.00 0.00 H new ATOM 0 HB3 ARG A 59 57.503 -7.579 -1.040 1.00 0.00 H new ATOM 0 HG2 ARG A 59 58.496 -6.133 0.675 1.00 0.00 H new ATOM 0 HG3 ARG A 59 58.497 -7.785 1.260 1.00 0.00 H new ATOM 0 HD2 ARG A 59 60.899 -7.989 0.322 1.00 0.00 H new ATOM 0 HD3 ARG A 59 60.859 -6.256 0.064 1.00 0.00 H new ATOM 0 HE ARG A 59 60.380 -6.056 2.614 1.00 0.00 H new ATOM 0 HH11 ARG A 59 63.247 -6.909 1.790 1.00 0.00 H new ATOM 0 HH12 ARG A 59 63.535 -8.222 2.937 1.00 0.00 H new ATOM 0 HH21 ARG A 59 60.157 -8.568 3.768 1.00 0.00 H new ATOM 0 HH22 ARG A 59 61.800 -9.153 4.047 1.00 0.00 H new ATOM 1019 N ARG A 60 57.593 -10.169 -2.676 1.00 0.00 N ATOM 1020 CA ARG A 60 56.432 -11.041 -3.037 1.00 0.00 C ATOM 1021 C ARG A 60 56.873 -12.507 -3.132 1.00 0.00 C ATOM 1022 O ARG A 60 56.093 -13.408 -2.885 1.00 0.00 O ATOM 1023 CB ARG A 60 55.835 -10.583 -4.376 1.00 0.00 C ATOM 1024 CG ARG A 60 56.879 -10.700 -5.492 1.00 0.00 C ATOM 1025 CD ARG A 60 56.188 -10.585 -6.854 1.00 0.00 C ATOM 1026 NE ARG A 60 55.523 -11.879 -7.179 1.00 0.00 N ATOM 1027 CZ ARG A 60 54.898 -12.029 -8.315 1.00 0.00 C ATOM 1028 NH1 ARG A 60 54.120 -11.083 -8.761 1.00 0.00 N ATOM 1029 NH2 ARG A 60 55.048 -13.129 -9.002 1.00 0.00 N ATOM 0 H ARG A 60 58.096 -9.766 -3.466 1.00 0.00 H new ATOM 0 HA ARG A 60 55.674 -10.957 -2.259 1.00 0.00 H new ATOM 0 HB2 ARG A 60 54.963 -11.190 -4.620 1.00 0.00 H new ATOM 0 HB3 ARG A 60 55.493 -9.551 -4.295 1.00 0.00 H new ATOM 0 HG2 ARG A 60 57.629 -9.916 -5.386 1.00 0.00 H new ATOM 0 HG3 ARG A 60 57.401 -11.654 -5.417 1.00 0.00 H new ATOM 0 HD2 ARG A 60 55.453 -9.780 -6.835 1.00 0.00 H new ATOM 0 HD3 ARG A 60 56.917 -10.334 -7.625 1.00 0.00 H new ATOM 0 HE ARG A 60 55.557 -12.650 -6.512 1.00 0.00 H new ATOM 0 HH11 ARG A 60 54.000 -10.225 -8.222 1.00 0.00 H new ATOM 0 HH12 ARG A 60 53.632 -11.200 -9.649 1.00 0.00 H new ATOM 0 HH21 ARG A 60 55.653 -13.871 -8.651 1.00 0.00 H new ATOM 0 HH22 ARG A 60 54.560 -13.246 -9.890 1.00 0.00 H new ATOM 1043 N GLN A 61 58.109 -12.753 -3.490 1.00 0.00 N ATOM 1044 CA GLN A 61 58.585 -14.166 -3.602 1.00 0.00 C ATOM 1045 C GLN A 61 59.900 -14.337 -2.841 1.00 0.00 C ATOM 1046 O GLN A 61 60.903 -14.756 -3.389 1.00 0.00 O ATOM 1047 CB GLN A 61 58.782 -14.528 -5.079 1.00 0.00 C ATOM 1048 CG GLN A 61 59.716 -13.509 -5.749 1.00 0.00 C ATOM 1049 CD GLN A 61 60.874 -14.238 -6.438 1.00 0.00 C ATOM 1050 OE1 GLN A 61 62.000 -13.784 -6.402 1.00 0.00 O ATOM 1051 NE2 GLN A 61 60.642 -15.357 -7.068 1.00 0.00 N ATOM 0 H GLN A 61 58.806 -12.041 -3.708 1.00 0.00 H new ATOM 0 HA GLN A 61 57.839 -14.831 -3.167 1.00 0.00 H new ATOM 0 HB2 GLN A 61 59.203 -15.530 -5.163 1.00 0.00 H new ATOM 0 HB3 GLN A 61 57.819 -14.542 -5.590 1.00 0.00 H new ATOM 0 HG2 GLN A 61 59.161 -12.919 -6.478 1.00 0.00 H new ATOM 0 HG3 GLN A 61 60.104 -12.814 -5.005 1.00 0.00 H new ATOM 0 HE21 GLN A 61 59.697 -15.739 -7.098 1.00 0.00 H new ATOM 0 HE22 GLN A 61 61.406 -15.850 -7.530 1.00 0.00 H new ATOM 1060 N LYS A 62 59.890 -14.032 -1.571 1.00 0.00 N ATOM 1061 CA LYS A 62 61.123 -14.189 -0.751 1.00 0.00 C ATOM 1062 C LYS A 62 61.281 -15.665 -0.374 1.00 0.00 C ATOM 1063 O LYS A 62 62.380 -16.172 -0.246 1.00 0.00 O ATOM 1064 CB LYS A 62 61.009 -13.328 0.515 1.00 0.00 C ATOM 1065 CG LYS A 62 59.820 -13.786 1.373 1.00 0.00 C ATOM 1066 CD LYS A 62 59.287 -12.600 2.184 1.00 0.00 C ATOM 1067 CE LYS A 62 59.809 -12.680 3.620 1.00 0.00 C ATOM 1068 NZ LYS A 62 58.805 -13.375 4.474 1.00 0.00 N ATOM 0 H LYS A 62 59.077 -13.680 -1.066 1.00 0.00 H new ATOM 0 HA LYS A 62 61.995 -13.864 -1.319 1.00 0.00 H new ATOM 0 HB2 LYS A 62 61.930 -13.398 1.093 1.00 0.00 H new ATOM 0 HB3 LYS A 62 60.884 -12.281 0.240 1.00 0.00 H new ATOM 0 HG2 LYS A 62 59.032 -14.188 0.736 1.00 0.00 H new ATOM 0 HG3 LYS A 62 60.129 -14.588 2.043 1.00 0.00 H new ATOM 0 HD2 LYS A 62 59.601 -11.663 1.725 1.00 0.00 H new ATOM 0 HD3 LYS A 62 58.197 -12.607 2.182 1.00 0.00 H new ATOM 0 HE2 LYS A 62 60.757 -13.217 3.644 1.00 0.00 H new ATOM 0 HE3 LYS A 62 60.000 -11.678 4.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 59.159 -13.430 5.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 57.910 -12.845 4.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 58.644 -14.336 4.109 1.00 0.00 H new ATOM 1082 N GLY A 63 60.182 -16.353 -0.203 1.00 0.00 N ATOM 1083 CA GLY A 63 60.239 -17.797 0.160 1.00 0.00 C ATOM 1084 C GLY A 63 58.820 -18.313 0.403 1.00 0.00 C ATOM 1085 O GLY A 63 58.307 -18.247 1.505 1.00 0.00 O ATOM 0 H GLY A 63 59.241 -15.972 -0.300 1.00 0.00 H new ATOM 0 HA2 GLY A 63 60.714 -18.366 -0.639 1.00 0.00 H new ATOM 0 HA3 GLY A 63 60.847 -17.935 1.054 1.00 0.00 H new ATOM 1089 N LYS A 64 58.182 -18.822 -0.621 1.00 0.00 N ATOM 1090 CA LYS A 64 56.791 -19.341 -0.464 1.00 0.00 C ATOM 1091 C LYS A 64 56.817 -20.739 0.155 1.00 0.00 C ATOM 1092 O LYS A 64 55.837 -21.184 0.724 1.00 0.00 O ATOM 1093 CB LYS A 64 56.111 -19.397 -1.834 1.00 0.00 C ATOM 1094 CG LYS A 64 55.759 -17.979 -2.286 1.00 0.00 C ATOM 1095 CD LYS A 64 54.706 -18.041 -3.394 1.00 0.00 C ATOM 1096 CE LYS A 64 55.357 -18.521 -4.692 1.00 0.00 C ATOM 1097 NZ LYS A 64 54.576 -18.014 -5.856 1.00 0.00 N ATOM 0 H LYS A 64 58.567 -18.900 -1.562 1.00 0.00 H new ATOM 0 HA LYS A 64 56.234 -18.674 0.194 1.00 0.00 H new ATOM 0 HB2 LYS A 64 56.772 -19.869 -2.561 1.00 0.00 H new ATOM 0 HB3 LYS A 64 55.210 -20.007 -1.780 1.00 0.00 H new ATOM 0 HG2 LYS A 64 55.381 -17.401 -1.443 1.00 0.00 H new ATOM 0 HG3 LYS A 64 56.652 -17.469 -2.647 1.00 0.00 H new ATOM 0 HD2 LYS A 64 53.901 -18.717 -3.107 1.00 0.00 H new ATOM 0 HD3 LYS A 64 54.259 -17.058 -3.541 1.00 0.00 H new ATOM 0 HE2 LYS A 64 56.386 -18.166 -4.748 1.00 0.00 H new ATOM 0 HE3 LYS A 64 55.394 -19.610 -4.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 55.018 -18.340 -6.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 53.602 -18.374 -5.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 54.563 -16.974 -5.839 1.00 0.00 H new ATOM 1111 N ARG A 65 57.923 -21.435 0.056 1.00 0.00 N ATOM 1112 CA ARG A 65 57.996 -22.799 0.647 1.00 0.00 C ATOM 1113 C ARG A 65 58.674 -22.720 2.017 1.00 0.00 C ATOM 1114 O ARG A 65 58.217 -23.309 2.979 1.00 0.00 O ATOM 1115 CB ARG A 65 58.799 -23.718 -0.277 1.00 0.00 C ATOM 1116 CG ARG A 65 57.841 -24.536 -1.146 1.00 0.00 C ATOM 1117 CD ARG A 65 58.455 -25.908 -1.433 1.00 0.00 C ATOM 1118 NE ARG A 65 57.539 -26.688 -2.311 1.00 0.00 N ATOM 1119 CZ ARG A 65 56.840 -27.672 -1.814 1.00 0.00 C ATOM 1120 NH1 ARG A 65 57.411 -28.546 -1.030 1.00 0.00 N ATOM 1121 NH2 ARG A 65 55.572 -27.783 -2.103 1.00 0.00 N ATOM 0 H ARG A 65 58.774 -21.115 -0.408 1.00 0.00 H new ATOM 0 HA ARG A 65 56.990 -23.202 0.763 1.00 0.00 H new ATOM 0 HB2 ARG A 65 59.463 -23.127 -0.907 1.00 0.00 H new ATOM 0 HB3 ARG A 65 59.429 -24.384 0.313 1.00 0.00 H new ATOM 0 HG2 ARG A 65 56.884 -24.654 -0.638 1.00 0.00 H new ATOM 0 HG3 ARG A 65 57.644 -24.012 -2.081 1.00 0.00 H new ATOM 0 HD2 ARG A 65 59.425 -25.790 -1.915 1.00 0.00 H new ATOM 0 HD3 ARG A 65 58.626 -26.444 -0.500 1.00 0.00 H new ATOM 0 HE ARG A 65 57.458 -26.453 -3.300 1.00 0.00 H new ATOM 0 HH11 ARG A 65 58.402 -28.460 -0.806 1.00 0.00 H new ATOM 0 HH12 ARG A 65 56.866 -29.315 -0.641 1.00 0.00 H new ATOM 0 HH21 ARG A 65 55.127 -27.101 -2.717 1.00 0.00 H new ATOM 0 HH22 ARG A 65 55.026 -28.552 -1.715 1.00 0.00 H new ATOM 1135 N SER A 66 59.757 -21.990 2.110 1.00 0.00 N ATOM 1136 CA SER A 66 60.469 -21.861 3.414 1.00 0.00 C ATOM 1137 C SER A 66 59.971 -20.609 4.138 1.00 0.00 C ATOM 1138 O SER A 66 60.367 -19.502 3.822 1.00 0.00 O ATOM 1139 CB SER A 66 61.973 -21.745 3.166 1.00 0.00 C ATOM 1140 OG SER A 66 62.326 -22.539 2.041 1.00 0.00 O ATOM 0 H SER A 66 60.178 -21.477 1.336 1.00 0.00 H new ATOM 0 HA SER A 66 60.272 -22.740 4.027 1.00 0.00 H new ATOM 0 HB2 SER A 66 62.245 -20.704 2.991 1.00 0.00 H new ATOM 0 HB3 SER A 66 62.525 -22.075 4.046 1.00 0.00 H new ATOM 0 HG SER A 66 63.290 -22.466 1.878 1.00 0.00 H new ATOM 1146 N SER A 67 59.104 -20.776 5.104 1.00 0.00 N ATOM 1147 CA SER A 67 58.573 -19.598 5.852 1.00 0.00 C ATOM 1148 C SER A 67 59.501 -19.279 7.025 1.00 0.00 C ATOM 1149 O SER A 67 60.079 -18.204 7.022 1.00 0.00 O ATOM 1150 CB SER A 67 57.175 -19.918 6.382 1.00 0.00 C ATOM 1151 OG SER A 67 56.404 -20.511 5.345 1.00 0.00 O ATOM 1152 OXT SER A 67 59.619 -20.115 7.906 1.00 0.00 O ATOM 0 H SER A 67 58.741 -21.680 5.407 1.00 0.00 H new ATOM 0 HA SER A 67 58.521 -18.738 5.185 1.00 0.00 H new ATOM 0 HB2 SER A 67 57.243 -20.595 7.233 1.00 0.00 H new ATOM 0 HB3 SER A 67 56.691 -19.008 6.736 1.00 0.00 H new ATOM 0 HG SER A 67 55.508 -20.719 5.682 1.00 0.00 H new TER 1158 SER A 67