USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 397 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 134 CYS SG : rot -155:sc= 1.14 USER MOD Set 1.2: A 137 CYS SG : rot 19:sc= -0.382 USER MOD Set 1.3: A 150 HIS : no HD1:sc= 0.0495 K(o=-7.3,f=-24!) USER MOD Set 1.4: A 155 HIS : no HD1:sc= -8.12! C(o=-7.3!,f=-10!) USER MOD Set 2.1: A 106 CYS SG : rot 8:sc= -0.11 USER MOD Set 2.2: A 109 CYS SG : rot 180:sc= -1.14 USER MOD Set 2.3: A 122 HIS : no HE2:sc= -0.227 K(o=-2.1,f=-8.8!) USER MOD Set 2.4: A 126 HIS : no HD1:sc= -0.642 K(o=-2.1,f=-11!) USER MOD Single : A 110 THR OG1 : rot 46:sc= 0.44 USER MOD Single : A 116 GLN : amide:sc= -0.299 K(o=-0.3,f=-0.91) USER MOD Single : A 118 HIS : no HD1:sc= -0.378 X(o=-0.38,f=-0.63) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 TYR OH : rot 180:sc= -0.0213 USER MOD Single : A 125 SER OG : rot 180:sc= 0.0671 USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 ASN : amide:sc= -0.0443 X(o=-0.044,f=-0.18) USER MOD Single : A 142 THR OG1 : rot 180:sc= 0 USER MOD Single : A 152 GLN : amide:sc= -0.0688 X(o=-0.069,f=-0.37) USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 36 N PHE A 104 -42.181 2.259 15.041 1.00 0.00 N ATOM 37 CA PHE A 104 -40.803 2.808 15.178 1.00 0.00 C ATOM 38 C PHE A 104 -39.807 1.652 15.262 1.00 0.00 C ATOM 39 O PHE A 104 -39.317 1.311 16.321 1.00 0.00 O ATOM 40 CB PHE A 104 -40.711 3.663 16.444 1.00 0.00 C ATOM 41 CG PHE A 104 -41.706 4.795 16.359 1.00 0.00 C ATOM 42 CD1 PHE A 104 -43.035 4.591 16.750 1.00 0.00 C ATOM 43 CD2 PHE A 104 -41.300 6.050 15.889 1.00 0.00 C ATOM 44 CE1 PHE A 104 -43.957 5.642 16.671 1.00 0.00 C ATOM 45 CE2 PHE A 104 -42.222 7.100 15.809 1.00 0.00 C ATOM 46 CZ PHE A 104 -43.551 6.896 16.200 1.00 0.00 C ATOM 0 HA PHE A 104 -40.570 3.428 14.313 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -40.913 3.052 17.324 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -39.702 4.059 16.556 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -43.349 3.623 17.112 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -40.275 6.208 15.588 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -44.982 5.485 16.974 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -41.908 8.068 15.446 1.00 0.00 H new ATOM 0 HZ PHE A 104 -44.263 7.706 16.138 1.00 0.00 H new ATOM 56 N VAL A 105 -39.509 1.050 14.142 1.00 0.00 N ATOM 57 CA VAL A 105 -38.544 -0.089 14.126 1.00 0.00 C ATOM 58 C VAL A 105 -37.154 0.447 13.767 1.00 0.00 C ATOM 59 O VAL A 105 -36.999 1.241 12.857 1.00 0.00 O ATOM 60 CB VAL A 105 -39.006 -1.143 13.097 1.00 0.00 C ATOM 61 CG1 VAL A 105 -39.315 -0.467 11.758 1.00 0.00 C ATOM 62 CG2 VAL A 105 -37.921 -2.213 12.887 1.00 0.00 C ATOM 0 H VAL A 105 -39.895 1.300 13.231 1.00 0.00 H new ATOM 0 HA VAL A 105 -38.501 -0.563 15.107 1.00 0.00 H new ATOM 0 HB VAL A 105 -39.905 -1.623 13.483 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -39.640 -1.218 11.038 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -40.106 0.270 11.896 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -38.419 0.029 11.385 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -38.268 -2.945 12.158 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -37.010 -1.740 12.521 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -37.715 -2.713 13.833 1.00 0.00 H new ATOM 72 N CYS A 106 -36.147 0.011 14.478 1.00 0.00 N ATOM 73 CA CYS A 106 -34.759 0.479 14.190 1.00 0.00 C ATOM 74 C CYS A 106 -34.368 0.065 12.770 1.00 0.00 C ATOM 75 O CYS A 106 -34.760 -0.984 12.293 1.00 0.00 O ATOM 76 CB CYS A 106 -33.792 -0.152 15.194 1.00 0.00 C ATOM 77 SG CYS A 106 -32.156 0.602 15.016 1.00 0.00 S ATOM 0 H CYS A 106 -36.227 -0.652 15.249 1.00 0.00 H new ATOM 0 HA CYS A 106 -34.713 1.565 14.276 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -34.161 -0.009 16.209 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -33.728 -1.227 15.027 1.00 0.00 H new ATOM 0 HG CYS A 106 -32.229 1.607 14.195 1.00 0.00 H new ATOM 82 N GLU A 107 -33.604 0.883 12.091 1.00 0.00 N ATOM 83 CA GLU A 107 -33.187 0.547 10.697 1.00 0.00 C ATOM 84 C GLU A 107 -31.859 -0.220 10.704 1.00 0.00 C ATOM 85 O GLU A 107 -31.139 -0.225 9.722 1.00 0.00 O ATOM 86 CB GLU A 107 -33.020 1.838 9.893 1.00 0.00 C ATOM 87 CG GLU A 107 -34.361 2.567 9.812 1.00 0.00 C ATOM 88 CD GLU A 107 -34.254 3.723 8.813 1.00 0.00 C ATOM 89 OE1 GLU A 107 -34.309 3.458 7.624 1.00 0.00 O ATOM 90 OE2 GLU A 107 -34.119 4.852 9.256 1.00 0.00 O ATOM 0 H GLU A 107 -33.250 1.772 12.444 1.00 0.00 H new ATOM 0 HA GLU A 107 -33.954 -0.080 10.242 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -32.274 2.478 10.364 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -32.657 1.610 8.891 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -35.145 1.876 9.502 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -34.641 2.946 10.795 1.00 0.00 H new ATOM 97 N VAL A 108 -31.522 -0.867 11.796 1.00 0.00 N ATOM 98 CA VAL A 108 -30.238 -1.625 11.850 1.00 0.00 C ATOM 99 C VAL A 108 -30.485 -3.022 12.419 1.00 0.00 C ATOM 100 O VAL A 108 -29.971 -4.003 11.914 1.00 0.00 O ATOM 101 CB VAL A 108 -29.238 -0.880 12.739 1.00 0.00 C ATOM 102 CG1 VAL A 108 -27.864 -1.546 12.633 1.00 0.00 C ATOM 103 CG2 VAL A 108 -29.133 0.577 12.283 1.00 0.00 C ATOM 0 H VAL A 108 -32.082 -0.901 12.648 1.00 0.00 H new ATOM 0 HA VAL A 108 -29.832 -1.714 10.842 1.00 0.00 H new ATOM 0 HB VAL A 108 -29.580 -0.913 13.773 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -27.153 -1.015 13.266 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -27.936 -2.583 12.959 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -27.523 -1.514 11.598 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -28.421 1.106 12.916 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -28.793 0.611 11.248 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -30.110 1.053 12.359 1.00 0.00 H new ATOM 113 N CYS A 109 -31.266 -3.120 13.464 1.00 0.00 N ATOM 114 CA CYS A 109 -31.545 -4.457 14.067 1.00 0.00 C ATOM 115 C CYS A 109 -33.020 -4.837 13.878 1.00 0.00 C ATOM 116 O CYS A 109 -33.479 -5.819 14.430 1.00 0.00 O ATOM 117 CB CYS A 109 -31.210 -4.428 15.561 1.00 0.00 C ATOM 118 SG CYS A 109 -32.114 -3.082 16.368 1.00 0.00 S ATOM 0 H CYS A 109 -31.722 -2.333 13.925 1.00 0.00 H new ATOM 0 HA CYS A 109 -30.925 -5.201 13.567 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -31.473 -5.381 16.020 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -30.137 -4.292 15.700 1.00 0.00 H new ATOM 0 HG CYS A 109 -31.826 -3.065 17.636 1.00 0.00 H new ATOM 123 N THR A 110 -33.767 -4.080 13.099 1.00 0.00 N ATOM 124 CA THR A 110 -35.218 -4.404 12.863 1.00 0.00 C ATOM 125 C THR A 110 -35.936 -4.676 14.197 1.00 0.00 C ATOM 126 O THR A 110 -36.599 -5.683 14.362 1.00 0.00 O ATOM 127 CB THR A 110 -35.345 -5.629 11.942 1.00 0.00 C ATOM 128 OG1 THR A 110 -34.306 -6.560 12.217 1.00 0.00 O ATOM 129 CG2 THR A 110 -35.262 -5.177 10.483 1.00 0.00 C ATOM 0 H THR A 110 -33.432 -3.248 12.614 1.00 0.00 H new ATOM 0 HA THR A 110 -35.688 -3.546 12.382 1.00 0.00 H new ATOM 0 HB THR A 110 -36.305 -6.113 12.121 1.00 0.00 H new ATOM 0 HG1 THR A 110 -34.229 -6.688 13.186 1.00 0.00 H new ATOM 0 HG21 THR A 110 -35.352 -6.044 9.828 1.00 0.00 H new ATOM 0 HG22 THR A 110 -36.071 -4.477 10.272 1.00 0.00 H new ATOM 0 HG23 THR A 110 -34.304 -4.687 10.308 1.00 0.00 H new ATOM 137 N ARG A 111 -35.801 -3.784 15.143 1.00 0.00 N ATOM 138 CA ARG A 111 -36.464 -3.980 16.467 1.00 0.00 C ATOM 139 C ARG A 111 -37.892 -3.426 16.406 1.00 0.00 C ATOM 140 O ARG A 111 -38.459 -3.284 15.340 1.00 0.00 O ATOM 141 CB ARG A 111 -35.662 -3.246 17.548 1.00 0.00 C ATOM 142 CG ARG A 111 -35.622 -4.093 18.824 1.00 0.00 C ATOM 143 CD ARG A 111 -34.289 -3.876 19.542 1.00 0.00 C ATOM 144 NE ARG A 111 -34.251 -4.708 20.778 1.00 0.00 N ATOM 145 CZ ARG A 111 -33.383 -4.445 21.715 1.00 0.00 C ATOM 146 NH1 ARG A 111 -32.119 -4.309 21.416 1.00 0.00 N ATOM 147 NH2 ARG A 111 -33.777 -4.317 22.953 1.00 0.00 N ATOM 0 H ARG A 111 -35.258 -2.925 15.056 1.00 0.00 H new ATOM 0 HA ARG A 111 -36.503 -5.042 16.709 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -34.649 -3.054 17.195 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -36.116 -2.277 17.757 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -36.449 -3.820 19.480 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -35.746 -5.147 18.577 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -33.462 -4.144 18.885 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -34.167 -2.823 19.795 1.00 0.00 H new ATOM 0 HE ARG A 111 -34.904 -5.483 20.891 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -31.810 -4.408 20.449 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -31.441 -4.103 22.149 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -34.764 -4.423 23.188 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -33.098 -4.111 23.686 1.00 0.00 H new ATOM 161 N ALA A 112 -38.479 -3.112 17.536 1.00 0.00 N ATOM 162 CA ALA A 112 -39.867 -2.568 17.533 1.00 0.00 C ATOM 163 C ALA A 112 -40.034 -1.574 18.683 1.00 0.00 C ATOM 164 O ALA A 112 -39.819 -1.900 19.836 1.00 0.00 O ATOM 165 CB ALA A 112 -40.867 -3.714 17.698 1.00 0.00 C ATOM 0 H ALA A 112 -38.054 -3.210 18.458 1.00 0.00 H new ATOM 0 HA ALA A 112 -40.052 -2.059 16.587 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -41.881 -3.315 17.696 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -40.752 -4.418 16.874 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -40.681 -4.226 18.642 1.00 0.00 H new ATOM 171 N PHE A 113 -40.421 -0.365 18.372 1.00 0.00 N ATOM 172 CA PHE A 113 -40.613 0.667 19.433 1.00 0.00 C ATOM 173 C PHE A 113 -41.890 1.457 19.139 1.00 0.00 C ATOM 174 O PHE A 113 -42.405 1.432 18.038 1.00 0.00 O ATOM 175 CB PHE A 113 -39.418 1.623 19.438 1.00 0.00 C ATOM 176 CG PHE A 113 -38.175 0.876 19.853 1.00 0.00 C ATOM 177 CD1 PHE A 113 -37.922 0.634 21.209 1.00 0.00 C ATOM 178 CD2 PHE A 113 -37.272 0.428 18.882 1.00 0.00 C ATOM 179 CE1 PHE A 113 -36.765 -0.056 21.593 1.00 0.00 C ATOM 180 CE2 PHE A 113 -36.116 -0.261 19.266 1.00 0.00 C ATOM 181 CZ PHE A 113 -35.863 -0.503 20.621 1.00 0.00 C ATOM 0 H PHE A 113 -40.614 -0.046 17.422 1.00 0.00 H new ATOM 0 HA PHE A 113 -40.694 0.181 20.405 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -39.281 2.055 18.447 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -39.604 2.450 20.123 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -38.619 0.979 21.958 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -37.467 0.614 17.836 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -36.569 -0.243 22.639 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -35.419 -0.606 18.517 1.00 0.00 H new ATOM 0 HZ PHE A 113 -34.971 -1.035 20.917 1.00 0.00 H new ATOM 191 N ALA A 114 -42.401 2.159 20.118 1.00 0.00 N ATOM 192 CA ALA A 114 -43.644 2.958 19.902 1.00 0.00 C ATOM 193 C ALA A 114 -43.381 4.429 20.241 1.00 0.00 C ATOM 194 O ALA A 114 -44.294 5.173 20.541 1.00 0.00 O ATOM 195 CB ALA A 114 -44.754 2.420 20.803 1.00 0.00 C ATOM 0 H ALA A 114 -42.010 2.213 21.059 1.00 0.00 H new ATOM 0 HA ALA A 114 -43.947 2.879 18.858 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -45.663 3.001 20.647 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -44.946 1.375 20.560 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -44.447 2.499 21.846 1.00 0.00 H new ATOM 201 N ARG A 115 -42.141 4.853 20.193 1.00 0.00 N ATOM 202 CA ARG A 115 -41.815 6.273 20.511 1.00 0.00 C ATOM 203 C ARG A 115 -40.673 6.746 19.610 1.00 0.00 C ATOM 204 O ARG A 115 -39.798 5.980 19.251 1.00 0.00 O ATOM 205 CB ARG A 115 -41.388 6.383 21.976 1.00 0.00 C ATOM 206 CG ARG A 115 -42.473 5.781 22.870 1.00 0.00 C ATOM 207 CD ARG A 115 -42.388 6.402 24.264 1.00 0.00 C ATOM 208 NE ARG A 115 -43.356 5.721 25.169 1.00 0.00 N ATOM 209 CZ ARG A 115 -43.391 6.029 26.437 1.00 0.00 C ATOM 210 NH1 ARG A 115 -43.992 7.120 26.826 1.00 0.00 N ATOM 211 NH2 ARG A 115 -42.825 5.246 27.314 1.00 0.00 N ATOM 0 H ARG A 115 -41.340 4.272 19.946 1.00 0.00 H new ATOM 0 HA ARG A 115 -42.694 6.895 20.342 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -40.444 5.861 22.131 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -41.222 7.427 22.240 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -43.457 5.963 22.438 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -42.348 4.700 22.934 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -41.376 6.304 24.656 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -42.609 7.468 24.213 1.00 0.00 H new ATOM 0 HE ARG A 115 -43.991 5.014 24.798 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -44.434 7.731 26.139 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -44.020 7.361 27.817 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -42.355 4.394 27.009 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -42.852 5.486 28.305 1.00 0.00 H new ATOM 225 N GLN A 116 -40.677 8.001 19.243 1.00 0.00 N ATOM 226 CA GLN A 116 -39.596 8.536 18.366 1.00 0.00 C ATOM 227 C GLN A 116 -38.435 9.039 19.229 1.00 0.00 C ATOM 228 O GLN A 116 -37.291 9.026 18.812 1.00 0.00 O ATOM 229 CB GLN A 116 -40.145 9.692 17.529 1.00 0.00 C ATOM 230 CG GLN A 116 -39.139 10.058 16.436 1.00 0.00 C ATOM 231 CD GLN A 116 -39.155 8.984 15.347 1.00 0.00 C ATOM 232 OE1 GLN A 116 -38.463 7.991 15.445 1.00 0.00 O ATOM 233 NE2 GLN A 116 -39.924 9.141 14.303 1.00 0.00 N ATOM 0 H GLN A 116 -41.387 8.681 19.515 1.00 0.00 H new ATOM 0 HA GLN A 116 -39.240 7.744 17.707 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -41.097 9.409 17.081 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -40.336 10.556 18.165 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -39.388 11.029 16.008 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -38.139 10.145 16.861 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -40.506 9.974 14.219 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -39.943 8.430 13.572 1.00 0.00 H new ATOM 242 N GLU A 117 -38.723 9.482 20.426 1.00 0.00 N ATOM 243 CA GLU A 117 -37.643 9.992 21.323 1.00 0.00 C ATOM 244 C GLU A 117 -36.766 8.825 21.781 1.00 0.00 C ATOM 245 O GLU A 117 -35.554 8.922 21.809 1.00 0.00 O ATOM 246 CB GLU A 117 -38.269 10.669 22.548 1.00 0.00 C ATOM 247 CG GLU A 117 -39.317 11.690 22.096 1.00 0.00 C ATOM 248 CD GLU A 117 -39.285 12.907 23.024 1.00 0.00 C ATOM 249 OE1 GLU A 117 -38.515 13.813 22.755 1.00 0.00 O ATOM 250 OE2 GLU A 117 -40.034 12.910 23.987 1.00 0.00 O ATOM 0 H GLU A 117 -39.663 9.512 20.822 1.00 0.00 H new ATOM 0 HA GLU A 117 -37.034 10.715 20.780 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -38.731 9.921 23.192 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -37.496 11.163 23.137 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -39.119 11.998 21.069 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -40.309 11.237 22.108 1.00 0.00 H new ATOM 257 N HIS A 118 -37.374 7.723 22.140 1.00 0.00 N ATOM 258 CA HIS A 118 -36.587 6.541 22.600 1.00 0.00 C ATOM 259 C HIS A 118 -35.753 5.997 21.439 1.00 0.00 C ATOM 260 O HIS A 118 -34.573 5.733 21.582 1.00 0.00 O ATOM 261 CB HIS A 118 -37.545 5.454 23.091 1.00 0.00 C ATOM 262 CG HIS A 118 -37.838 5.664 24.551 1.00 0.00 C ATOM 263 ND1 HIS A 118 -39.007 5.213 25.142 1.00 0.00 N ATOM 264 CD2 HIS A 118 -37.123 6.275 25.552 1.00 0.00 C ATOM 265 CE1 HIS A 118 -38.962 5.554 26.443 1.00 0.00 C ATOM 266 NE2 HIS A 118 -37.835 6.204 26.746 1.00 0.00 N ATOM 0 H HIS A 118 -38.385 7.591 22.134 1.00 0.00 H new ATOM 0 HA HIS A 118 -35.925 6.840 23.413 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -38.470 5.483 22.516 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -37.104 4.469 22.936 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -36.156 6.740 25.431 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -39.742 5.329 27.155 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -37.556 6.570 27.656 1.00 0.00 H new ATOM 274 N LEU A 119 -36.358 5.825 20.291 1.00 0.00 N ATOM 275 CA LEU A 119 -35.617 5.297 19.115 1.00 0.00 C ATOM 276 C LEU A 119 -34.496 6.266 18.725 1.00 0.00 C ATOM 277 O LEU A 119 -33.507 5.871 18.138 1.00 0.00 O ATOM 278 CB LEU A 119 -36.585 5.142 17.936 1.00 0.00 C ATOM 279 CG LEU A 119 -36.228 3.892 17.126 1.00 0.00 C ATOM 280 CD1 LEU A 119 -37.199 3.754 15.953 1.00 0.00 C ATOM 281 CD2 LEU A 119 -34.801 4.015 16.588 1.00 0.00 C ATOM 0 H LEU A 119 -37.342 6.031 20.121 1.00 0.00 H new ATOM 0 HA LEU A 119 -35.183 4.330 19.369 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -37.609 5.068 18.303 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -36.538 6.024 17.298 1.00 0.00 H new ATOM 0 HG LEU A 119 -36.298 3.014 17.768 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -36.947 2.865 15.375 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -38.217 3.664 16.332 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -37.126 4.635 15.315 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -34.551 3.124 16.012 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -34.728 4.893 15.947 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -34.105 4.116 17.421 1.00 0.00 H new ATOM 293 N LYS A 120 -34.647 7.529 19.038 1.00 0.00 N ATOM 294 CA LYS A 120 -33.595 8.525 18.677 1.00 0.00 C ATOM 295 C LYS A 120 -32.281 8.168 19.379 1.00 0.00 C ATOM 296 O LYS A 120 -31.251 8.020 18.748 1.00 0.00 O ATOM 297 CB LYS A 120 -34.045 9.923 19.113 1.00 0.00 C ATOM 298 CG LYS A 120 -34.689 10.648 17.929 1.00 0.00 C ATOM 299 CD LYS A 120 -34.611 12.160 18.150 1.00 0.00 C ATOM 300 CE LYS A 120 -35.886 12.642 18.845 1.00 0.00 C ATOM 301 NZ LYS A 120 -36.146 14.063 18.475 1.00 0.00 N ATOM 0 H LYS A 120 -35.455 7.912 19.529 1.00 0.00 H new ATOM 0 HA LYS A 120 -33.441 8.511 17.598 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -34.756 9.847 19.936 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -33.191 10.493 19.480 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -34.180 10.379 17.004 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -35.729 10.339 17.822 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -33.739 12.405 18.757 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -34.489 12.672 17.195 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -36.731 12.018 18.552 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -35.781 12.550 19.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -37.013 14.392 18.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -35.343 14.652 18.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -36.264 14.137 17.444 1.00 0.00 H new ATOM 315 N ARG A 121 -32.310 8.035 20.680 1.00 0.00 N ATOM 316 CA ARG A 121 -31.068 7.692 21.433 1.00 0.00 C ATOM 317 C ARG A 121 -30.601 6.287 21.041 1.00 0.00 C ATOM 318 O ARG A 121 -29.419 5.998 21.031 1.00 0.00 O ATOM 319 CB ARG A 121 -31.358 7.731 22.937 1.00 0.00 C ATOM 320 CG ARG A 121 -30.049 7.924 23.706 1.00 0.00 C ATOM 321 CD ARG A 121 -29.844 9.411 24.004 1.00 0.00 C ATOM 322 NE ARG A 121 -30.830 9.854 25.029 1.00 0.00 N ATOM 323 CZ ARG A 121 -30.522 9.805 26.296 1.00 0.00 C ATOM 324 NH1 ARG A 121 -29.828 10.770 26.836 1.00 0.00 N ATOM 325 NH2 ARG A 121 -30.908 8.793 27.024 1.00 0.00 N ATOM 0 H ARG A 121 -33.145 8.150 21.255 1.00 0.00 H new ATOM 0 HA ARG A 121 -30.287 8.413 21.192 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -32.048 8.544 23.164 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -31.842 6.805 23.249 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -30.075 7.356 24.636 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -29.212 7.541 23.122 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -28.829 9.584 24.362 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -29.965 9.995 23.092 1.00 0.00 H new ATOM 0 HE ARG A 121 -31.747 10.196 24.740 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -29.527 11.562 26.268 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -29.587 10.732 27.826 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -31.451 8.039 26.603 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -30.667 8.756 28.014 1.00 0.00 H new ATOM 339 N HIS A 122 -31.522 5.416 20.722 1.00 0.00 N ATOM 340 CA HIS A 122 -31.146 4.024 20.331 1.00 0.00 C ATOM 341 C HIS A 122 -30.470 4.047 18.947 1.00 0.00 C ATOM 342 O HIS A 122 -29.744 3.137 18.595 1.00 0.00 O ATOM 343 CB HIS A 122 -32.421 3.157 20.297 1.00 0.00 C ATOM 344 CG HIS A 122 -32.129 1.790 19.724 1.00 0.00 C ATOM 345 ND1 HIS A 122 -31.585 0.769 20.489 1.00 0.00 N ATOM 346 CD2 HIS A 122 -32.302 1.266 18.467 1.00 0.00 C ATOM 347 CE1 HIS A 122 -31.453 -0.307 19.691 1.00 0.00 C ATOM 348 NE2 HIS A 122 -31.875 -0.059 18.449 1.00 0.00 N ATOM 0 H HIS A 122 -32.523 5.609 20.715 1.00 0.00 H new ATOM 0 HA HIS A 122 -30.446 3.603 21.052 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -32.823 3.055 21.305 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -33.186 3.651 19.698 1.00 0.00 H new ATOM 0 HD1 HIS A 122 -31.331 0.823 21.475 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -32.708 1.800 17.621 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -31.054 -1.256 20.016 1.00 0.00 H new ATOM 356 N TYR A 123 -30.708 5.072 18.164 1.00 0.00 N ATOM 357 CA TYR A 123 -30.085 5.143 16.807 1.00 0.00 C ATOM 358 C TYR A 123 -28.830 6.017 16.859 1.00 0.00 C ATOM 359 O TYR A 123 -28.493 6.688 15.901 1.00 0.00 O ATOM 360 CB TYR A 123 -31.086 5.749 15.822 1.00 0.00 C ATOM 361 CG TYR A 123 -30.822 5.210 14.438 1.00 0.00 C ATOM 362 CD1 TYR A 123 -31.247 3.920 14.095 1.00 0.00 C ATOM 363 CD2 TYR A 123 -30.154 6.000 13.495 1.00 0.00 C ATOM 364 CE1 TYR A 123 -31.003 3.421 12.810 1.00 0.00 C ATOM 365 CE2 TYR A 123 -29.909 5.500 12.210 1.00 0.00 C ATOM 366 CZ TYR A 123 -30.334 4.212 11.867 1.00 0.00 C ATOM 367 OH TYR A 123 -30.094 3.719 10.602 1.00 0.00 O ATOM 0 H TYR A 123 -31.307 5.861 18.407 1.00 0.00 H new ATOM 0 HA TYR A 123 -29.811 4.139 16.482 1.00 0.00 H new ATOM 0 HB2 TYR A 123 -32.104 5.509 16.129 1.00 0.00 H new ATOM 0 HB3 TYR A 123 -31.000 6.836 15.823 1.00 0.00 H new ATOM 0 HD1 TYR A 123 -31.763 3.310 14.822 1.00 0.00 H new ATOM 0 HD2 TYR A 123 -29.828 6.995 13.758 1.00 0.00 H new ATOM 0 HE1 TYR A 123 -31.330 2.426 12.546 1.00 0.00 H new ATOM 0 HE2 TYR A 123 -29.392 6.109 11.483 1.00 0.00 H new ATOM 0 HH TYR A 123 -29.622 4.394 10.072 1.00 0.00 H new ATOM 377 N ARG A 124 -28.136 6.013 17.969 1.00 0.00 N ATOM 378 CA ARG A 124 -26.901 6.841 18.089 1.00 0.00 C ATOM 379 C ARG A 124 -25.672 5.930 18.000 1.00 0.00 C ATOM 380 O ARG A 124 -24.749 6.192 17.252 1.00 0.00 O ATOM 381 CB ARG A 124 -26.912 7.578 19.439 1.00 0.00 C ATOM 382 CG ARG A 124 -26.733 9.086 19.216 1.00 0.00 C ATOM 383 CD ARG A 124 -27.679 9.859 20.137 1.00 0.00 C ATOM 384 NE ARG A 124 -28.992 10.045 19.456 1.00 0.00 N ATOM 385 CZ ARG A 124 -29.600 11.197 19.518 1.00 0.00 C ATOM 386 NH1 ARG A 124 -29.851 11.740 20.678 1.00 0.00 N ATOM 387 NH2 ARG A 124 -29.959 11.807 18.421 1.00 0.00 N ATOM 0 H ARG A 124 -28.374 5.470 18.799 1.00 0.00 H new ATOM 0 HA ARG A 124 -26.865 7.573 17.282 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -27.851 7.388 19.959 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -26.113 7.199 20.076 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -25.701 9.373 19.416 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -26.938 9.336 18.175 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -27.816 9.317 21.073 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -27.247 10.828 20.389 1.00 0.00 H new ATOM 0 HE ARG A 124 -29.414 9.272 18.942 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -29.572 11.263 21.535 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -30.327 12.641 20.727 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -29.764 11.383 17.514 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -30.435 12.708 18.471 1.00 0.00 H new ATOM 401 N SER A 125 -25.660 4.862 18.757 1.00 0.00 N ATOM 402 CA SER A 125 -24.499 3.924 18.722 1.00 0.00 C ATOM 403 C SER A 125 -24.588 3.036 17.476 1.00 0.00 C ATOM 404 O SER A 125 -23.591 2.534 16.994 1.00 0.00 O ATOM 405 CB SER A 125 -24.517 3.046 19.974 1.00 0.00 C ATOM 406 OG SER A 125 -25.858 2.688 20.277 1.00 0.00 O ATOM 0 H SER A 125 -26.407 4.599 19.400 1.00 0.00 H new ATOM 0 HA SER A 125 -23.573 4.498 18.690 1.00 0.00 H new ATOM 0 HB2 SER A 125 -23.917 2.150 19.813 1.00 0.00 H new ATOM 0 HB3 SER A 125 -24.073 3.581 20.814 1.00 0.00 H new ATOM 0 HG SER A 125 -25.873 2.124 21.078 1.00 0.00 H new ATOM 412 N HIS A 126 -25.774 2.840 16.951 1.00 0.00 N ATOM 413 CA HIS A 126 -25.936 1.985 15.735 1.00 0.00 C ATOM 414 C HIS A 126 -25.101 2.552 14.582 1.00 0.00 C ATOM 415 O HIS A 126 -24.668 1.826 13.707 1.00 0.00 O ATOM 416 CB HIS A 126 -27.410 1.965 15.323 1.00 0.00 C ATOM 417 CG HIS A 126 -28.115 0.828 16.010 1.00 0.00 C ATOM 418 ND1 HIS A 126 -27.624 -0.468 15.993 1.00 0.00 N ATOM 419 CD2 HIS A 126 -29.281 0.778 16.732 1.00 0.00 C ATOM 420 CE1 HIS A 126 -28.486 -1.236 16.685 1.00 0.00 C ATOM 421 NE2 HIS A 126 -29.514 -0.526 17.157 1.00 0.00 N ATOM 0 H HIS A 126 -26.640 3.238 17.315 1.00 0.00 H new ATOM 0 HA HIS A 126 -25.599 0.974 15.962 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -27.884 2.911 15.586 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -27.494 1.857 14.242 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -29.921 1.623 16.939 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -28.361 -2.298 16.840 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -30.301 -0.867 17.710 1.00 0.00 H new ATOM 508 N TYR A 132 -11.667 7.203 11.875 1.00 0.00 N ATOM 509 CA TYR A 132 -10.843 5.975 11.655 1.00 0.00 C ATOM 510 C TYR A 132 -11.338 4.821 12.551 1.00 0.00 C ATOM 511 O TYR A 132 -10.773 4.579 13.599 1.00 0.00 O ATOM 512 CB TYR A 132 -9.381 6.284 11.991 1.00 0.00 C ATOM 513 CG TYR A 132 -8.919 7.485 11.199 1.00 0.00 C ATOM 514 CD1 TYR A 132 -8.661 7.362 9.829 1.00 0.00 C ATOM 515 CD2 TYR A 132 -8.749 8.720 11.836 1.00 0.00 C ATOM 516 CE1 TYR A 132 -8.233 8.475 9.094 1.00 0.00 C ATOM 517 CE2 TYR A 132 -8.320 9.832 11.102 1.00 0.00 C ATOM 518 CZ TYR A 132 -8.063 9.710 9.731 1.00 0.00 C ATOM 519 OH TYR A 132 -7.640 10.807 9.008 1.00 0.00 O ATOM 0 HA TYR A 132 -10.934 5.672 10.612 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -9.276 6.478 13.058 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -8.755 5.422 11.761 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -8.792 6.409 9.338 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -8.949 8.815 12.893 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -8.034 8.380 8.037 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -8.187 10.785 11.593 1.00 0.00 H new ATOM 0 HH TYR A 132 -7.575 11.584 9.601 1.00 0.00 H new ATOM 529 N PRO A 133 -12.371 4.121 12.113 1.00 0.00 N ATOM 530 CA PRO A 133 -12.919 2.980 12.871 1.00 0.00 C ATOM 531 C PRO A 133 -12.060 1.730 12.641 1.00 0.00 C ATOM 532 O PRO A 133 -11.813 1.340 11.515 1.00 0.00 O ATOM 533 CB PRO A 133 -14.318 2.791 12.279 1.00 0.00 C ATOM 534 CG PRO A 133 -14.285 3.423 10.867 1.00 0.00 C ATOM 535 CD PRO A 133 -13.091 4.395 10.846 1.00 0.00 C ATOM 0 HA PRO A 133 -12.937 3.149 13.948 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -14.577 1.734 12.225 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -15.072 3.272 12.902 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -14.173 2.655 10.102 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -15.216 3.949 10.656 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -12.452 4.221 9.980 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -13.423 5.432 10.794 1.00 0.00 H new ATOM 543 N CYS A 134 -11.606 1.100 13.696 1.00 0.00 N ATOM 544 CA CYS A 134 -10.765 -0.125 13.541 1.00 0.00 C ATOM 545 C CYS A 134 -11.590 -1.224 12.867 1.00 0.00 C ATOM 546 O CYS A 134 -12.801 -1.250 12.967 1.00 0.00 O ATOM 547 CB CYS A 134 -10.298 -0.605 14.918 1.00 0.00 C ATOM 548 SG CYS A 134 -9.034 -1.887 14.717 1.00 0.00 S ATOM 0 H CYS A 134 -11.783 1.383 14.660 1.00 0.00 H new ATOM 0 HA CYS A 134 -9.895 0.106 12.927 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -9.895 0.232 15.489 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -11.143 -0.998 15.483 1.00 0.00 H new ATOM 0 HG CYS A 134 -9.016 -2.648 15.771 1.00 0.00 H new ATOM 553 N GLY A 135 -10.941 -2.131 12.176 1.00 0.00 N ATOM 554 CA GLY A 135 -11.686 -3.229 11.489 1.00 0.00 C ATOM 555 C GLY A 135 -10.939 -4.554 11.661 1.00 0.00 C ATOM 556 O GLY A 135 -11.034 -5.438 10.831 1.00 0.00 O ATOM 0 H GLY A 135 -9.928 -2.157 12.059 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -12.691 -3.312 11.902 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -11.795 -2.998 10.429 1.00 0.00 H new ATOM 560 N LEU A 136 -10.202 -4.698 12.732 1.00 0.00 N ATOM 561 CA LEU A 136 -9.447 -5.968 12.963 1.00 0.00 C ATOM 562 C LEU A 136 -9.822 -6.538 14.332 1.00 0.00 C ATOM 563 O LEU A 136 -10.039 -7.726 14.483 1.00 0.00 O ATOM 564 CB LEU A 136 -7.938 -5.692 12.918 1.00 0.00 C ATOM 565 CG LEU A 136 -7.591 -4.841 11.688 1.00 0.00 C ATOM 566 CD1 LEU A 136 -6.090 -4.545 11.681 1.00 0.00 C ATOM 567 CD2 LEU A 136 -7.966 -5.600 10.410 1.00 0.00 C ATOM 0 H LEU A 136 -10.090 -3.990 13.458 1.00 0.00 H new ATOM 0 HA LEU A 136 -9.702 -6.687 12.184 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -7.628 -5.175 13.826 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -7.390 -6.633 12.884 1.00 0.00 H new ATOM 0 HG LEU A 136 -8.149 -3.906 11.729 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -5.842 -3.941 10.808 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -5.822 -4.001 12.587 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -5.535 -5.482 11.643 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -7.718 -4.992 9.540 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -7.412 -6.538 10.368 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -9.035 -5.811 10.412 1.00 0.00 H new ATOM 579 N CYS A 137 -9.905 -5.694 15.327 1.00 0.00 N ATOM 580 CA CYS A 137 -10.272 -6.167 16.697 1.00 0.00 C ATOM 581 C CYS A 137 -11.651 -5.627 17.106 1.00 0.00 C ATOM 582 O CYS A 137 -12.118 -5.872 18.201 1.00 0.00 O ATOM 583 CB CYS A 137 -9.224 -5.674 17.689 1.00 0.00 C ATOM 584 SG CYS A 137 -9.091 -3.868 17.612 1.00 0.00 S ATOM 0 H CYS A 137 -9.734 -4.691 15.250 1.00 0.00 H new ATOM 0 HA CYS A 137 -10.311 -7.256 16.697 1.00 0.00 H new ATOM 0 HB2 CYS A 137 -9.494 -5.983 18.699 1.00 0.00 H new ATOM 0 HB3 CYS A 137 -8.258 -6.127 17.464 1.00 0.00 H new ATOM 0 HG CYS A 137 -10.157 -3.378 17.052 1.00 0.00 H new ATOM 589 N ASN A 138 -12.294 -4.886 16.237 1.00 0.00 N ATOM 590 CA ASN A 138 -13.643 -4.304 16.547 1.00 0.00 C ATOM 591 C ASN A 138 -13.482 -3.130 17.513 1.00 0.00 C ATOM 592 O ASN A 138 -14.278 -2.941 18.415 1.00 0.00 O ATOM 593 CB ASN A 138 -14.571 -5.362 17.163 1.00 0.00 C ATOM 594 CG ASN A 138 -16.029 -4.936 16.973 1.00 0.00 C ATOM 595 OD1 ASN A 138 -16.490 -4.787 15.858 1.00 0.00 O ATOM 596 ND2 ASN A 138 -16.778 -4.733 18.022 1.00 0.00 N ATOM 0 H ASN A 138 -11.937 -4.655 15.310 1.00 0.00 H new ATOM 0 HA ASN A 138 -14.093 -3.957 15.617 1.00 0.00 H new ATOM 0 HB2 ASN A 138 -14.400 -6.330 16.692 1.00 0.00 H new ATOM 0 HB3 ASN A 138 -14.351 -5.480 18.224 1.00 0.00 H new ATOM 0 HD21 ASN A 138 -17.751 -4.449 17.907 1.00 0.00 H new ATOM 0 HD22 ASN A 138 -16.391 -4.858 18.957 1.00 0.00 H new ATOM 603 N ARG A 139 -12.460 -2.333 17.322 1.00 0.00 N ATOM 604 CA ARG A 139 -12.240 -1.156 18.213 1.00 0.00 C ATOM 605 C ARG A 139 -12.595 0.120 17.450 1.00 0.00 C ATOM 606 O ARG A 139 -13.069 0.068 16.330 1.00 0.00 O ATOM 607 CB ARG A 139 -10.772 -1.101 18.640 1.00 0.00 C ATOM 608 CG ARG A 139 -10.553 -2.025 19.839 1.00 0.00 C ATOM 609 CD ARG A 139 -10.774 -1.241 21.134 1.00 0.00 C ATOM 610 NE ARG A 139 -11.086 -2.186 22.242 1.00 0.00 N ATOM 611 CZ ARG A 139 -10.729 -1.900 23.464 1.00 0.00 C ATOM 612 NH1 ARG A 139 -11.442 -1.069 24.174 1.00 0.00 N ATOM 613 NH2 ARG A 139 -9.659 -2.444 23.976 1.00 0.00 N ATOM 0 H ARG A 139 -11.766 -2.449 16.583 1.00 0.00 H new ATOM 0 HA ARG A 139 -12.869 -1.245 19.099 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -10.130 -1.404 17.813 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -10.496 -0.079 18.900 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -11.240 -2.870 19.791 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -9.543 -2.434 19.817 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -9.883 -0.661 21.377 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -11.591 -0.531 21.007 1.00 0.00 H new ATOM 0 HE ARG A 139 -11.579 -3.057 22.046 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -12.278 -0.643 23.774 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -11.163 -0.845 25.129 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -9.101 -3.093 23.421 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -9.380 -2.220 24.931 1.00 0.00 H new ATOM 627 N ALA A 140 -12.374 1.265 18.047 1.00 0.00 N ATOM 628 CA ALA A 140 -12.703 2.546 17.355 1.00 0.00 C ATOM 629 C ALA A 140 -11.760 3.653 17.838 1.00 0.00 C ATOM 630 O ALA A 140 -11.541 3.818 19.024 1.00 0.00 O ATOM 631 CB ALA A 140 -14.154 2.928 17.668 1.00 0.00 C ATOM 0 H ALA A 140 -11.980 1.366 18.983 1.00 0.00 H new ATOM 0 HA ALA A 140 -12.582 2.422 16.279 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -14.401 3.863 17.165 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -14.821 2.141 17.317 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -14.273 3.052 18.744 1.00 0.00 H new ATOM 637 N PHE A 141 -11.204 4.417 16.927 1.00 0.00 N ATOM 638 CA PHE A 141 -10.280 5.519 17.333 1.00 0.00 C ATOM 639 C PHE A 141 -10.657 6.802 16.590 1.00 0.00 C ATOM 640 O PHE A 141 -11.423 6.779 15.645 1.00 0.00 O ATOM 641 CB PHE A 141 -8.837 5.138 16.989 1.00 0.00 C ATOM 642 CG PHE A 141 -8.514 3.780 17.568 1.00 0.00 C ATOM 643 CD1 PHE A 141 -8.171 3.656 18.919 1.00 0.00 C ATOM 644 CD2 PHE A 141 -8.559 2.644 16.749 1.00 0.00 C ATOM 645 CE1 PHE A 141 -7.872 2.397 19.452 1.00 0.00 C ATOM 646 CE2 PHE A 141 -8.260 1.385 17.282 1.00 0.00 C ATOM 647 CZ PHE A 141 -7.916 1.261 18.633 1.00 0.00 C ATOM 0 H PHE A 141 -11.351 4.324 15.922 1.00 0.00 H new ATOM 0 HA PHE A 141 -10.365 5.680 18.408 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -8.703 5.123 15.907 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -8.150 5.885 17.385 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -8.137 4.532 19.550 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -8.824 2.740 15.707 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -7.607 2.301 20.495 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -8.295 0.509 16.651 1.00 0.00 H new ATOM 0 HZ PHE A 141 -7.684 0.290 19.044 1.00 0.00 H new ATOM 657 N THR A 142 -10.129 7.921 17.018 1.00 0.00 N ATOM 658 CA THR A 142 -10.457 9.215 16.349 1.00 0.00 C ATOM 659 C THR A 142 -9.204 9.797 15.683 1.00 0.00 C ATOM 660 O THR A 142 -9.298 10.556 14.736 1.00 0.00 O ATOM 661 CB THR A 142 -10.984 10.205 17.390 1.00 0.00 C ATOM 662 OG1 THR A 142 -11.177 11.473 16.778 1.00 0.00 O ATOM 663 CG2 THR A 142 -9.975 10.334 18.531 1.00 0.00 C ATOM 0 H THR A 142 -9.483 7.993 17.804 1.00 0.00 H new ATOM 0 HA THR A 142 -11.217 9.040 15.587 1.00 0.00 H new ATOM 0 HB THR A 142 -11.933 9.845 17.788 1.00 0.00 H new ATOM 0 HG1 THR A 142 -11.516 12.109 17.442 1.00 0.00 H new ATOM 0 HG21 THR A 142 -10.352 11.039 19.272 1.00 0.00 H new ATOM 0 HG22 THR A 142 -9.828 9.360 18.999 1.00 0.00 H new ATOM 0 HG23 THR A 142 -9.025 10.694 18.137 1.00 0.00 H new ATOM 671 N ARG A 143 -8.037 9.456 16.170 1.00 0.00 N ATOM 672 CA ARG A 143 -6.785 9.998 15.563 1.00 0.00 C ATOM 673 C ARG A 143 -6.268 9.028 14.499 1.00 0.00 C ATOM 674 O ARG A 143 -6.334 7.824 14.659 1.00 0.00 O ATOM 675 CB ARG A 143 -5.728 10.176 16.653 1.00 0.00 C ATOM 676 CG ARG A 143 -6.277 11.093 17.750 1.00 0.00 C ATOM 677 CD ARG A 143 -5.123 11.854 18.404 1.00 0.00 C ATOM 678 NE ARG A 143 -4.793 13.054 17.585 1.00 0.00 N ATOM 679 CZ ARG A 143 -3.964 12.954 16.583 1.00 0.00 C ATOM 680 NH1 ARG A 143 -2.739 12.552 16.789 1.00 0.00 N ATOM 681 NH2 ARG A 143 -4.358 13.253 15.375 1.00 0.00 N ATOM 0 H ARG A 143 -7.898 8.827 16.961 1.00 0.00 H new ATOM 0 HA ARG A 143 -6.994 10.962 15.099 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -5.458 9.208 17.075 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -4.820 10.603 16.228 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -6.995 11.795 17.326 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -6.809 10.505 18.498 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -5.398 12.155 19.415 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -4.249 11.208 18.490 1.00 0.00 H new ATOM 0 HE ARG A 143 -5.216 13.955 17.808 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -2.431 12.317 17.733 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -2.090 12.473 16.006 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -5.315 13.565 15.214 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -3.708 13.174 14.593 1.00 0.00 H new ATOM 695 N ARG A 144 -5.754 9.549 13.412 1.00 0.00 N ATOM 696 CA ARG A 144 -5.231 8.668 12.326 1.00 0.00 C ATOM 697 C ARG A 144 -3.952 7.975 12.802 1.00 0.00 C ATOM 698 O ARG A 144 -3.797 6.777 12.658 1.00 0.00 O ATOM 699 CB ARG A 144 -4.922 9.513 11.088 1.00 0.00 C ATOM 700 CG ARG A 144 -4.562 8.594 9.919 1.00 0.00 C ATOM 701 CD ARG A 144 -3.663 9.346 8.935 1.00 0.00 C ATOM 702 NE ARG A 144 -4.509 10.088 7.958 1.00 0.00 N ATOM 703 CZ ARG A 144 -4.676 9.621 6.751 1.00 0.00 C ATOM 704 NH1 ARG A 144 -3.651 9.175 6.076 1.00 0.00 N ATOM 705 NH2 ARG A 144 -5.867 9.599 6.218 1.00 0.00 N ATOM 0 H ARG A 144 -5.675 10.550 13.231 1.00 0.00 H new ATOM 0 HA ARG A 144 -5.980 7.917 12.076 1.00 0.00 H new ATOM 0 HB2 ARG A 144 -5.785 10.127 10.829 1.00 0.00 H new ATOM 0 HB3 ARG A 144 -4.097 10.194 11.296 1.00 0.00 H new ATOM 0 HG2 ARG A 144 -4.052 7.704 10.287 1.00 0.00 H new ATOM 0 HG3 ARG A 144 -5.468 8.257 9.415 1.00 0.00 H new ATOM 0 HD2 ARG A 144 -3.017 10.039 9.473 1.00 0.00 H new ATOM 0 HD3 ARG A 144 -3.013 8.645 8.411 1.00 0.00 H new ATOM 0 HE ARG A 144 -4.958 10.962 8.233 1.00 0.00 H new ATOM 0 HH11 ARG A 144 -2.720 9.192 6.492 1.00 0.00 H new ATOM 0 HH12 ARG A 144 -3.781 8.810 5.133 1.00 0.00 H new ATOM 0 HH21 ARG A 144 -6.668 9.947 6.745 1.00 0.00 H new ATOM 0 HH22 ARG A 144 -5.997 9.234 5.274 1.00 0.00 H new ATOM 719 N ASP A 145 -3.037 8.721 13.369 1.00 0.00 N ATOM 720 CA ASP A 145 -1.762 8.114 13.860 1.00 0.00 C ATOM 721 C ASP A 145 -2.064 7.036 14.912 1.00 0.00 C ATOM 722 O ASP A 145 -1.257 6.158 15.155 1.00 0.00 O ATOM 723 CB ASP A 145 -0.874 9.207 14.474 1.00 0.00 C ATOM 724 CG ASP A 145 -1.590 9.878 15.654 1.00 0.00 C ATOM 725 OD1 ASP A 145 -2.809 9.865 15.673 1.00 0.00 O ATOM 726 OD2 ASP A 145 -0.902 10.395 16.518 1.00 0.00 O ATOM 0 H ASP A 145 -3.119 9.727 13.513 1.00 0.00 H new ATOM 0 HA ASP A 145 -1.239 7.653 13.022 1.00 0.00 H new ATOM 0 HB2 ASP A 145 0.067 8.773 14.811 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -0.629 9.953 13.718 1.00 0.00 H new ATOM 731 N LEU A 146 -3.217 7.095 15.535 1.00 0.00 N ATOM 732 CA LEU A 146 -3.572 6.078 16.567 1.00 0.00 C ATOM 733 C LEU A 146 -3.927 4.752 15.889 1.00 0.00 C ATOM 734 O LEU A 146 -3.412 3.709 16.242 1.00 0.00 O ATOM 735 CB LEU A 146 -4.777 6.570 17.373 1.00 0.00 C ATOM 736 CG LEU A 146 -4.293 7.357 18.594 1.00 0.00 C ATOM 737 CD1 LEU A 146 -5.494 7.971 19.323 1.00 0.00 C ATOM 738 CD2 LEU A 146 -3.549 6.413 19.541 1.00 0.00 C ATOM 0 H LEU A 146 -3.928 7.808 15.370 1.00 0.00 H new ATOM 0 HA LEU A 146 -2.720 5.929 17.230 1.00 0.00 H new ATOM 0 HB2 LEU A 146 -5.411 7.200 16.750 1.00 0.00 H new ATOM 0 HB3 LEU A 146 -5.384 5.723 17.691 1.00 0.00 H new ATOM 0 HG LEU A 146 -3.624 8.154 18.270 1.00 0.00 H new ATOM 0 HD11 LEU A 146 -5.146 8.530 20.191 1.00 0.00 H new ATOM 0 HD12 LEU A 146 -6.025 8.642 18.648 1.00 0.00 H new ATOM 0 HD13 LEU A 146 -6.167 7.177 19.649 1.00 0.00 H new ATOM 0 HD21 LEU A 146 -3.203 6.970 20.412 1.00 0.00 H new ATOM 0 HD22 LEU A 146 -4.220 5.617 19.863 1.00 0.00 H new ATOM 0 HD23 LEU A 146 -2.693 5.979 19.024 1.00 0.00 H new ATOM 750 N LEU A 147 -4.815 4.785 14.927 1.00 0.00 N ATOM 751 CA LEU A 147 -5.221 3.529 14.226 1.00 0.00 C ATOM 752 C LEU A 147 -4.005 2.880 13.558 1.00 0.00 C ATOM 753 O LEU A 147 -3.892 1.669 13.515 1.00 0.00 O ATOM 754 CB LEU A 147 -6.273 3.851 13.162 1.00 0.00 C ATOM 755 CG LEU A 147 -7.178 2.634 12.955 1.00 0.00 C ATOM 756 CD1 LEU A 147 -8.322 3.000 12.009 1.00 0.00 C ATOM 757 CD2 LEU A 147 -6.365 1.489 12.344 1.00 0.00 C ATOM 0 H LEU A 147 -5.278 5.632 14.596 1.00 0.00 H new ATOM 0 HA LEU A 147 -5.639 2.837 14.957 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -6.867 4.711 13.471 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -5.787 4.120 12.224 1.00 0.00 H new ATOM 0 HG LEU A 147 -7.585 2.322 13.917 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -8.965 2.132 11.863 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -8.904 3.815 12.440 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -7.913 3.315 11.049 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -7.010 0.623 12.197 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -5.957 1.805 11.384 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -5.549 1.224 13.016 1.00 0.00 H new ATOM 769 N ILE A 148 -3.100 3.669 13.035 1.00 0.00 N ATOM 770 CA ILE A 148 -1.897 3.085 12.368 1.00 0.00 C ATOM 771 C ILE A 148 -1.018 2.396 13.414 1.00 0.00 C ATOM 772 O ILE A 148 -0.657 1.249 13.265 1.00 0.00 O ATOM 773 CB ILE A 148 -1.097 4.189 11.672 1.00 0.00 C ATOM 774 CG1 ILE A 148 -2.007 4.942 10.698 1.00 0.00 C ATOM 775 CG2 ILE A 148 0.067 3.561 10.897 1.00 0.00 C ATOM 776 CD1 ILE A 148 -1.365 6.279 10.326 1.00 0.00 C ATOM 0 H ILE A 148 -3.142 4.688 13.041 1.00 0.00 H new ATOM 0 HA ILE A 148 -2.219 2.356 11.624 1.00 0.00 H new ATOM 0 HB ILE A 148 -0.709 4.883 12.418 1.00 0.00 H new ATOM 0 HG12 ILE A 148 -2.171 4.344 9.802 1.00 0.00 H new ATOM 0 HG13 ILE A 148 -2.983 5.110 11.152 1.00 0.00 H new ATOM 0 HG21 ILE A 148 0.638 4.345 10.400 1.00 0.00 H new ATOM 0 HG22 ILE A 148 0.715 3.022 11.588 1.00 0.00 H new ATOM 0 HG23 ILE A 148 -0.324 2.869 10.151 1.00 0.00 H new ATOM 0 HD11 ILE A 148 -2.014 6.814 9.633 1.00 0.00 H new ATOM 0 HD12 ILE A 148 -1.224 6.878 11.226 1.00 0.00 H new ATOM 0 HD13 ILE A 148 -0.399 6.100 9.854 1.00 0.00 H new ATOM 788 N ARG A 149 -0.676 3.090 14.469 1.00 0.00 N ATOM 789 CA ARG A 149 0.180 2.481 15.532 1.00 0.00 C ATOM 790 C ARG A 149 -0.541 1.278 16.160 1.00 0.00 C ATOM 791 O ARG A 149 0.078 0.435 16.783 1.00 0.00 O ATOM 792 CB ARG A 149 0.460 3.530 16.615 1.00 0.00 C ATOM 793 CG ARG A 149 1.418 2.956 17.672 1.00 0.00 C ATOM 794 CD ARG A 149 0.751 2.989 19.051 1.00 0.00 C ATOM 795 NE ARG A 149 0.575 4.405 19.483 1.00 0.00 N ATOM 796 CZ ARG A 149 0.060 4.672 20.652 1.00 0.00 C ATOM 797 NH1 ARG A 149 -1.206 4.439 20.876 1.00 0.00 N ATOM 798 NH2 ARG A 149 0.808 5.172 21.596 1.00 0.00 N ATOM 0 H ARG A 149 -0.954 4.056 14.641 1.00 0.00 H new ATOM 0 HA ARG A 149 1.118 2.144 15.091 1.00 0.00 H new ATOM 0 HB2 ARG A 149 0.896 4.422 16.164 1.00 0.00 H new ATOM 0 HB3 ARG A 149 -0.474 3.835 17.087 1.00 0.00 H new ATOM 0 HG2 ARG A 149 1.688 1.932 17.413 1.00 0.00 H new ATOM 0 HG3 ARG A 149 2.342 3.534 17.691 1.00 0.00 H new ATOM 0 HD2 ARG A 149 -0.216 2.487 19.012 1.00 0.00 H new ATOM 0 HD3 ARG A 149 1.361 2.450 19.775 1.00 0.00 H new ATOM 0 HE ARG A 149 0.857 5.165 18.865 1.00 0.00 H new ATOM 0 HH11 ARG A 149 -1.791 4.049 20.137 1.00 0.00 H new ATOM 0 HH12 ARG A 149 -1.609 4.647 21.789 1.00 0.00 H new ATOM 0 HH21 ARG A 149 1.796 5.355 21.421 1.00 0.00 H new ATOM 0 HH22 ARG A 149 0.405 5.381 22.509 1.00 0.00 H new ATOM 812 N HIS A 150 -1.839 1.200 16.011 1.00 0.00 N ATOM 813 CA HIS A 150 -2.607 0.066 16.604 1.00 0.00 C ATOM 814 C HIS A 150 -2.425 -1.191 15.735 1.00 0.00 C ATOM 815 O HIS A 150 -2.177 -2.271 16.238 1.00 0.00 O ATOM 816 CB HIS A 150 -4.091 0.474 16.671 1.00 0.00 C ATOM 817 CG HIS A 150 -4.962 -0.700 17.045 1.00 0.00 C ATOM 818 ND1 HIS A 150 -4.665 -1.536 18.109 1.00 0.00 N ATOM 819 CD2 HIS A 150 -6.120 -1.189 16.496 1.00 0.00 C ATOM 820 CE1 HIS A 150 -5.624 -2.478 18.164 1.00 0.00 C ATOM 821 NE2 HIS A 150 -6.536 -2.313 17.203 1.00 0.00 N ATOM 0 H HIS A 150 -2.403 1.879 15.500 1.00 0.00 H new ATOM 0 HA HIS A 150 -2.246 -0.161 17.607 1.00 0.00 H new ATOM 0 HB2 HIS A 150 -4.219 1.273 17.402 1.00 0.00 H new ATOM 0 HB3 HIS A 150 -4.406 0.871 15.706 1.00 0.00 H new ATOM 0 HD2 HIS A 150 -6.631 -0.766 15.644 1.00 0.00 H new ATOM 0 HE1 HIS A 150 -5.653 -3.271 18.896 1.00 0.00 H new ATOM 0 HE2 HIS A 150 -7.360 -2.887 17.025 1.00 0.00 H new ATOM 829 N ALA A 151 -2.564 -1.057 14.442 1.00 0.00 N ATOM 830 CA ALA A 151 -2.421 -2.238 13.538 1.00 0.00 C ATOM 831 C ALA A 151 -0.942 -2.596 13.337 1.00 0.00 C ATOM 832 O ALA A 151 -0.621 -3.691 12.920 1.00 0.00 O ATOM 833 CB ALA A 151 -3.050 -1.915 12.182 1.00 0.00 C ATOM 0 H ALA A 151 -2.771 -0.177 13.971 1.00 0.00 H new ATOM 0 HA ALA A 151 -2.927 -3.089 13.995 1.00 0.00 H new ATOM 0 HB1 ALA A 151 -2.948 -2.774 11.519 1.00 0.00 H new ATOM 0 HB2 ALA A 151 -4.107 -1.685 12.317 1.00 0.00 H new ATOM 0 HB3 ALA A 151 -2.544 -1.055 11.742 1.00 0.00 H new ATOM 839 N GLN A 152 -0.044 -1.684 13.616 1.00 0.00 N ATOM 840 CA GLN A 152 1.409 -1.976 13.427 1.00 0.00 C ATOM 841 C GLN A 152 2.000 -2.548 14.721 1.00 0.00 C ATOM 842 O GLN A 152 2.983 -3.265 14.695 1.00 0.00 O ATOM 843 CB GLN A 152 2.152 -0.684 13.066 1.00 0.00 C ATOM 844 CG GLN A 152 1.428 0.052 11.925 1.00 0.00 C ATOM 845 CD GLN A 152 2.255 -0.038 10.640 1.00 0.00 C ATOM 846 OE1 GLN A 152 3.449 0.194 10.653 1.00 0.00 O ATOM 847 NE2 GLN A 152 1.667 -0.366 9.522 1.00 0.00 N ATOM 0 H GLN A 152 -0.255 -0.750 13.967 1.00 0.00 H new ATOM 0 HA GLN A 152 1.521 -2.703 12.623 1.00 0.00 H new ATOM 0 HB2 GLN A 152 2.216 -0.037 13.941 1.00 0.00 H new ATOM 0 HB3 GLN A 152 3.174 -0.917 12.766 1.00 0.00 H new ATOM 0 HG2 GLN A 152 0.443 -0.386 11.765 1.00 0.00 H new ATOM 0 HG3 GLN A 152 1.272 1.096 12.195 1.00 0.00 H new ATOM 0 HE21 GLN A 152 0.666 -0.561 9.510 1.00 0.00 H new ATOM 0 HE22 GLN A 152 2.209 -0.428 8.660 1.00 0.00 H new ATOM 856 N LYS A 153 1.422 -2.221 15.850 1.00 0.00 N ATOM 857 CA LYS A 153 1.960 -2.726 17.149 1.00 0.00 C ATOM 858 C LYS A 153 1.354 -4.089 17.492 1.00 0.00 C ATOM 859 O LYS A 153 2.062 -5.029 17.801 1.00 0.00 O ATOM 860 CB LYS A 153 1.612 -1.732 18.258 1.00 0.00 C ATOM 861 CG LYS A 153 2.633 -0.594 18.263 1.00 0.00 C ATOM 862 CD LYS A 153 3.774 -0.938 19.222 1.00 0.00 C ATOM 863 CE LYS A 153 3.476 -0.351 20.602 1.00 0.00 C ATOM 864 NZ LYS A 153 4.515 -0.801 21.570 1.00 0.00 N ATOM 0 H LYS A 153 0.598 -1.624 15.927 1.00 0.00 H new ATOM 0 HA LYS A 153 3.041 -2.833 17.061 1.00 0.00 H new ATOM 0 HB2 LYS A 153 0.609 -1.334 18.103 1.00 0.00 H new ATOM 0 HB3 LYS A 153 1.609 -2.236 19.225 1.00 0.00 H new ATOM 0 HG2 LYS A 153 3.023 -0.437 17.258 1.00 0.00 H new ATOM 0 HG3 LYS A 153 2.155 0.337 18.568 1.00 0.00 H new ATOM 0 HD2 LYS A 153 3.890 -2.019 19.293 1.00 0.00 H new ATOM 0 HD3 LYS A 153 4.715 -0.541 18.842 1.00 0.00 H new ATOM 0 HE2 LYS A 153 3.460 0.738 20.550 1.00 0.00 H new ATOM 0 HE3 LYS A 153 2.489 -0.669 20.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 4.312 -0.401 22.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 4.510 -1.839 21.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 5.450 -0.477 21.251 1.00 0.00 H new ATOM 878 N ILE A 154 0.051 -4.197 17.455 1.00 0.00 N ATOM 879 CA ILE A 154 -0.607 -5.494 17.798 1.00 0.00 C ATOM 880 C ILE A 154 -0.845 -6.311 16.525 1.00 0.00 C ATOM 881 O ILE A 154 -0.251 -7.354 16.328 1.00 0.00 O ATOM 882 CB ILE A 154 -1.944 -5.214 18.491 1.00 0.00 C ATOM 883 CG1 ILE A 154 -1.705 -4.323 19.714 1.00 0.00 C ATOM 884 CG2 ILE A 154 -2.578 -6.532 18.944 1.00 0.00 C ATOM 885 CD1 ILE A 154 -1.724 -2.852 19.293 1.00 0.00 C ATOM 0 H ILE A 154 -0.587 -3.442 17.202 1.00 0.00 H new ATOM 0 HA ILE A 154 0.039 -6.063 18.467 1.00 0.00 H new ATOM 0 HB ILE A 154 -2.613 -4.711 17.793 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -2.474 -4.506 20.465 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -0.747 -4.568 20.172 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -3.529 -6.328 19.436 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -2.748 -7.171 18.077 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -1.909 -7.037 19.641 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -1.554 -2.222 20.166 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -0.939 -2.674 18.558 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -2.693 -2.611 18.855 1.00 0.00 H new ATOM 897 N HIS A 155 -1.715 -5.847 15.664 1.00 0.00 N ATOM 898 CA HIS A 155 -2.005 -6.595 14.401 1.00 0.00 C ATOM 899 C HIS A 155 -0.715 -6.798 13.594 1.00 0.00 C ATOM 900 O HIS A 155 -0.623 -7.712 12.800 1.00 0.00 O ATOM 901 CB HIS A 155 -3.014 -5.805 13.561 1.00 0.00 C ATOM 902 CG HIS A 155 -4.228 -5.491 14.397 1.00 0.00 C ATOM 903 ND1 HIS A 155 -4.758 -6.400 15.300 1.00 0.00 N ATOM 904 CD2 HIS A 155 -5.022 -4.375 14.478 1.00 0.00 C ATOM 905 CE1 HIS A 155 -5.823 -5.819 15.881 1.00 0.00 C ATOM 906 NE2 HIS A 155 -6.030 -4.584 15.417 1.00 0.00 N ATOM 0 H HIS A 155 -2.239 -4.980 15.781 1.00 0.00 H new ATOM 0 HA HIS A 155 -2.420 -7.570 14.655 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -2.559 -4.882 13.200 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -3.303 -6.382 12.683 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -4.886 -3.472 13.902 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -6.437 -6.294 16.632 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -6.767 -3.934 15.691 1.00 0.00 H new