USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=12 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 -147:sc= 0.348 USER MOD Set 1.2: A 137 CYS SG : rot -128:sc= -0.0376 USER MOD Set 1.3: A 150 HIS : no HE2:sc= -0.287 K(o=-0.68,f=-15!) USER MOD Set 1.4: A 155 HIS : no HD1:sc= -0.706 K(o=-0.68,f=-9.4!) USER MOD Set 2.1: A 106 CYS SG : rot 30:sc= -0.979 USER MOD Set 2.2: A 109 CYS SG : rot 12:sc= -3.28 USER MOD Set 2.3: A 122 HIS : no HE2:sc= -5.41 K(o=-13,f=-23!) USER MOD Set 2.4: A 126 HIS : no HD1:sc= -3.3 K(o=-13,f=-27!) USER MOD Single : A 110 THR OG1 : rot -6:sc= 0.357 USER MOD Single : A 116 GLN : amide:sc= -4.49! C(o=-4.5!,f=-9.2!) USER MOD Single : A 118 HIS : no HD1:sc= -0.159 X(o=-0.16,f=-0.00043) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot -52:sc= 0.175 USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 ASN : amide:sc= -0.143 K(o=-0.14,f=-2!) USER MOD Single : A 142 THR OG1 : rot 180:sc= 0 USER MOD Single : A 152 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 153 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.766) USER MOD ----------------------------------------------------------------- ATOM 36 N PHE A 104 -25.631 30.890 27.138 1.00 0.00 N ATOM 37 CA PHE A 104 -25.397 30.095 25.900 1.00 0.00 C ATOM 38 C PHE A 104 -25.455 28.605 26.239 1.00 0.00 C ATOM 39 O PHE A 104 -24.500 27.870 26.068 1.00 0.00 O ATOM 40 CB PHE A 104 -24.028 30.436 25.316 1.00 0.00 C ATOM 41 CG PHE A 104 -24.065 31.816 24.706 1.00 0.00 C ATOM 42 CD1 PHE A 104 -23.965 32.947 25.524 1.00 0.00 C ATOM 43 CD2 PHE A 104 -24.203 31.964 23.320 1.00 0.00 C ATOM 44 CE1 PHE A 104 -24.000 34.227 24.957 1.00 0.00 C ATOM 45 CE2 PHE A 104 -24.238 33.244 22.754 1.00 0.00 C ATOM 46 CZ PHE A 104 -24.137 34.375 23.572 1.00 0.00 C ATOM 0 HA PHE A 104 -26.166 30.333 25.165 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -23.268 30.393 26.096 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -23.751 29.701 24.560 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -23.861 32.833 26.593 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -24.282 31.091 22.689 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -23.921 35.100 25.588 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -24.343 33.359 21.685 1.00 0.00 H new ATOM 0 HZ PHE A 104 -24.165 35.362 23.135 1.00 0.00 H new ATOM 56 N VAL A 105 -26.581 28.162 26.719 1.00 0.00 N ATOM 57 CA VAL A 105 -26.745 26.719 27.080 1.00 0.00 C ATOM 58 C VAL A 105 -26.580 25.868 25.812 1.00 0.00 C ATOM 59 O VAL A 105 -27.209 26.111 24.801 1.00 0.00 O ATOM 60 CB VAL A 105 -28.139 26.501 27.718 1.00 0.00 C ATOM 61 CG1 VAL A 105 -29.215 27.208 26.890 1.00 0.00 C ATOM 62 CG2 VAL A 105 -28.478 25.003 27.808 1.00 0.00 C ATOM 0 H VAL A 105 -27.406 28.740 26.880 1.00 0.00 H new ATOM 0 HA VAL A 105 -25.988 26.421 27.805 1.00 0.00 H new ATOM 0 HB VAL A 105 -28.113 26.919 28.725 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -30.191 27.048 27.348 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -29.002 28.276 26.854 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -29.219 26.804 25.878 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -29.462 24.879 28.260 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -28.481 24.570 26.808 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -27.731 24.497 28.420 1.00 0.00 H new ATOM 72 N CYS A 106 -25.735 24.871 25.875 1.00 0.00 N ATOM 73 CA CYS A 106 -25.516 23.990 24.693 1.00 0.00 C ATOM 74 C CYS A 106 -26.822 23.273 24.345 1.00 0.00 C ATOM 75 O CYS A 106 -27.616 22.960 25.212 1.00 0.00 O ATOM 76 CB CYS A 106 -24.436 22.955 25.026 1.00 0.00 C ATOM 77 SG CYS A 106 -24.019 22.012 23.539 1.00 0.00 S ATOM 0 H CYS A 106 -25.185 24.630 26.700 1.00 0.00 H new ATOM 0 HA CYS A 106 -25.195 24.591 23.842 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -23.548 23.454 25.414 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -24.791 22.283 25.807 1.00 0.00 H new ATOM 0 HG CYS A 106 -24.197 22.757 22.489 1.00 0.00 H new ATOM 82 N GLU A 107 -27.049 23.013 23.082 1.00 0.00 N ATOM 83 CA GLU A 107 -28.302 22.316 22.666 1.00 0.00 C ATOM 84 C GLU A 107 -28.082 20.798 22.631 1.00 0.00 C ATOM 85 O GLU A 107 -28.783 20.085 21.937 1.00 0.00 O ATOM 86 CB GLU A 107 -28.711 22.800 21.273 1.00 0.00 C ATOM 87 CG GLU A 107 -28.824 24.325 21.275 1.00 0.00 C ATOM 88 CD GLU A 107 -29.440 24.794 19.955 1.00 0.00 C ATOM 89 OE1 GLU A 107 -28.867 24.500 18.920 1.00 0.00 O ATOM 90 OE2 GLU A 107 -30.475 25.440 20.004 1.00 0.00 O ATOM 0 H GLU A 107 -26.417 23.255 22.319 1.00 0.00 H new ATOM 0 HA GLU A 107 -29.089 22.543 23.386 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -27.975 22.480 20.535 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -29.664 22.355 20.987 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -29.439 24.653 22.113 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -27.839 24.773 21.408 1.00 0.00 H new ATOM 97 N VAL A 108 -27.119 20.295 23.368 1.00 0.00 N ATOM 98 CA VAL A 108 -26.863 18.825 23.368 1.00 0.00 C ATOM 99 C VAL A 108 -26.979 18.284 24.791 1.00 0.00 C ATOM 100 O VAL A 108 -27.695 17.333 25.045 1.00 0.00 O ATOM 101 CB VAL A 108 -25.458 18.549 22.826 1.00 0.00 C ATOM 102 CG1 VAL A 108 -25.264 17.042 22.647 1.00 0.00 C ATOM 103 CG2 VAL A 108 -25.282 19.247 21.474 1.00 0.00 C ATOM 0 H VAL A 108 -26.501 20.842 23.968 1.00 0.00 H new ATOM 0 HA VAL A 108 -27.599 18.330 22.734 1.00 0.00 H new ATOM 0 HB VAL A 108 -24.720 18.930 23.531 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -24.263 16.847 22.261 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -25.386 16.543 23.608 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -26.005 16.661 21.944 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -24.281 19.049 21.090 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -26.022 18.868 20.770 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -25.417 20.321 21.599 1.00 0.00 H new ATOM 113 N CYS A 109 -26.279 18.881 25.721 1.00 0.00 N ATOM 114 CA CYS A 109 -26.347 18.404 27.135 1.00 0.00 C ATOM 115 C CYS A 109 -27.000 19.469 28.023 1.00 0.00 C ATOM 116 O CYS A 109 -26.894 19.415 29.232 1.00 0.00 O ATOM 117 CB CYS A 109 -24.934 18.108 27.647 1.00 0.00 C ATOM 118 SG CYS A 109 -23.882 19.568 27.430 1.00 0.00 S ATOM 0 H CYS A 109 -25.663 19.678 25.562 1.00 0.00 H new ATOM 0 HA CYS A 109 -26.947 17.495 27.171 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -24.970 17.828 28.700 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -24.512 17.261 27.106 1.00 0.00 H new ATOM 0 HG CYS A 109 -24.621 20.595 27.131 1.00 0.00 H new ATOM 123 N THR A 110 -27.676 20.437 27.438 1.00 0.00 N ATOM 124 CA THR A 110 -28.345 21.513 28.250 1.00 0.00 C ATOM 125 C THR A 110 -27.360 22.101 29.274 1.00 0.00 C ATOM 126 O THR A 110 -27.651 22.193 30.452 1.00 0.00 O ATOM 127 CB THR A 110 -29.567 20.933 28.978 1.00 0.00 C ATOM 128 OG1 THR A 110 -29.137 20.072 30.023 1.00 0.00 O ATOM 129 CG2 THR A 110 -30.436 20.147 27.992 1.00 0.00 C ATOM 0 H THR A 110 -27.793 20.528 26.429 1.00 0.00 H new ATOM 0 HA THR A 110 -28.669 22.308 27.578 1.00 0.00 H new ATOM 0 HB THR A 110 -30.152 21.751 29.399 1.00 0.00 H new ATOM 0 HG1 THR A 110 -28.164 19.966 29.980 1.00 0.00 H new ATOM 0 HG21 THR A 110 -31.301 19.738 28.515 1.00 0.00 H new ATOM 0 HG22 THR A 110 -30.773 20.810 27.196 1.00 0.00 H new ATOM 0 HG23 THR A 110 -29.853 19.332 27.563 1.00 0.00 H new ATOM 137 N ARG A 111 -26.194 22.492 28.825 1.00 0.00 N ATOM 138 CA ARG A 111 -25.179 23.068 29.756 1.00 0.00 C ATOM 139 C ARG A 111 -25.525 24.532 30.046 1.00 0.00 C ATOM 140 O ARG A 111 -26.635 24.968 29.816 1.00 0.00 O ATOM 141 CB ARG A 111 -23.792 22.984 29.107 1.00 0.00 C ATOM 142 CG ARG A 111 -22.737 22.681 30.177 1.00 0.00 C ATOM 143 CD ARG A 111 -22.375 21.195 30.139 1.00 0.00 C ATOM 144 NE ARG A 111 -23.456 20.402 30.789 1.00 0.00 N ATOM 145 CZ ARG A 111 -23.155 19.354 31.506 1.00 0.00 C ATOM 146 NH1 ARG A 111 -22.200 19.424 32.394 1.00 0.00 N ATOM 147 NH2 ARG A 111 -23.808 18.238 31.336 1.00 0.00 N ATOM 0 H ARG A 111 -25.901 22.436 27.850 1.00 0.00 H new ATOM 0 HA ARG A 111 -25.178 22.507 30.690 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -23.784 22.206 28.344 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -23.557 23.923 28.607 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -21.847 23.286 30.005 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -23.118 22.947 31.163 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -22.241 20.869 29.108 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -21.428 21.027 30.652 1.00 0.00 H new ATOM 0 HE ARG A 111 -24.431 20.678 30.674 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -21.690 20.297 32.527 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -21.964 18.605 32.955 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -24.554 18.184 30.643 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -23.573 17.419 31.896 1.00 0.00 H new ATOM 161 N ALA A 112 -24.584 25.290 30.551 1.00 0.00 N ATOM 162 CA ALA A 112 -24.860 26.724 30.854 1.00 0.00 C ATOM 163 C ALA A 112 -23.575 27.539 30.713 1.00 0.00 C ATOM 164 O ALA A 112 -22.776 27.617 31.628 1.00 0.00 O ATOM 165 CB ALA A 112 -25.392 26.852 32.282 1.00 0.00 C ATOM 0 H ALA A 112 -23.638 24.976 30.766 1.00 0.00 H new ATOM 0 HA ALA A 112 -25.604 27.102 30.153 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -25.593 27.900 32.503 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -26.313 26.277 32.380 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -24.649 26.470 32.983 1.00 0.00 H new ATOM 171 N PHE A 113 -23.373 28.152 29.574 1.00 0.00 N ATOM 172 CA PHE A 113 -22.145 28.973 29.367 1.00 0.00 C ATOM 173 C PHE A 113 -22.529 30.451 29.327 1.00 0.00 C ATOM 174 O PHE A 113 -23.665 30.812 29.572 1.00 0.00 O ATOM 175 CB PHE A 113 -21.480 28.588 28.042 1.00 0.00 C ATOM 176 CG PHE A 113 -21.094 27.129 28.073 1.00 0.00 C ATOM 177 CD1 PHE A 113 -19.925 26.729 28.731 1.00 0.00 C ATOM 178 CD2 PHE A 113 -21.903 26.177 27.442 1.00 0.00 C ATOM 179 CE1 PHE A 113 -19.565 25.376 28.759 1.00 0.00 C ATOM 180 CE2 PHE A 113 -21.543 24.824 27.470 1.00 0.00 C ATOM 181 CZ PHE A 113 -20.375 24.424 28.128 1.00 0.00 C ATOM 0 H PHE A 113 -24.009 28.118 28.777 1.00 0.00 H new ATOM 0 HA PHE A 113 -21.448 28.793 30.186 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -22.162 28.776 27.213 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -20.597 29.205 27.874 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -19.301 27.464 29.217 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -22.805 26.486 26.934 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -18.663 25.067 29.267 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -22.167 24.089 26.983 1.00 0.00 H new ATOM 0 HZ PHE A 113 -20.098 23.380 28.149 1.00 0.00 H new ATOM 191 N ALA A 114 -21.588 31.306 29.022 1.00 0.00 N ATOM 192 CA ALA A 114 -21.888 32.767 28.966 1.00 0.00 C ATOM 193 C ALA A 114 -21.375 33.362 27.650 1.00 0.00 C ATOM 194 O ALA A 114 -21.999 34.234 27.075 1.00 0.00 O ATOM 195 CB ALA A 114 -21.210 33.470 30.143 1.00 0.00 C ATOM 0 H ALA A 114 -20.623 31.055 28.809 1.00 0.00 H new ATOM 0 HA ALA A 114 -22.967 32.911 29.023 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -21.428 34.537 30.104 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -21.586 33.057 31.079 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -20.132 33.317 30.086 1.00 0.00 H new ATOM 201 N ARG A 115 -20.243 32.904 27.172 1.00 0.00 N ATOM 202 CA ARG A 115 -19.688 33.450 25.898 1.00 0.00 C ATOM 203 C ARG A 115 -19.732 32.375 24.809 1.00 0.00 C ATOM 204 O ARG A 115 -19.946 31.209 25.081 1.00 0.00 O ATOM 205 CB ARG A 115 -18.240 33.889 26.120 1.00 0.00 C ATOM 206 CG ARG A 115 -18.197 34.988 27.183 1.00 0.00 C ATOM 207 CD ARG A 115 -18.462 36.346 26.528 1.00 0.00 C ATOM 208 NE ARG A 115 -19.258 37.198 27.455 1.00 0.00 N ATOM 209 CZ ARG A 115 -18.740 37.594 28.586 1.00 0.00 C ATOM 210 NH1 ARG A 115 -17.819 38.517 28.593 1.00 0.00 N ATOM 211 NH2 ARG A 115 -19.144 37.065 29.709 1.00 0.00 N ATOM 0 H ARG A 115 -19.681 32.175 27.611 1.00 0.00 H new ATOM 0 HA ARG A 115 -20.286 34.305 25.584 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -17.636 33.039 26.436 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -17.812 34.255 25.186 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -18.943 34.793 27.953 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -17.225 34.994 27.675 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -17.518 36.836 26.287 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -19.000 36.210 25.590 1.00 0.00 H new ATOM 0 HE ARG A 115 -20.208 37.472 27.206 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -17.504 38.929 27.715 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -17.414 38.827 29.476 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -19.864 36.343 29.703 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -18.740 37.374 30.593 1.00 0.00 H new ATOM 225 N GLN A 116 -19.528 32.767 23.577 1.00 0.00 N ATOM 226 CA GLN A 116 -19.551 31.783 22.453 1.00 0.00 C ATOM 227 C GLN A 116 -18.143 31.229 22.235 1.00 0.00 C ATOM 228 O GLN A 116 -17.974 30.100 21.816 1.00 0.00 O ATOM 229 CB GLN A 116 -20.032 32.490 21.177 1.00 0.00 C ATOM 230 CG GLN A 116 -20.037 31.508 19.998 1.00 0.00 C ATOM 231 CD GLN A 116 -18.670 31.528 19.310 1.00 0.00 C ATOM 232 OE1 GLN A 116 -17.980 30.530 19.274 1.00 0.00 O ATOM 233 NE2 GLN A 116 -18.247 32.632 18.757 1.00 0.00 N ATOM 0 H GLN A 116 -19.346 33.732 23.300 1.00 0.00 H new ATOM 0 HA GLN A 116 -20.227 30.962 22.693 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -21.034 32.891 21.330 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -19.381 33.335 20.953 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -20.264 30.502 20.350 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -20.817 31.780 19.288 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -18.826 33.471 18.786 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -17.338 32.655 18.295 1.00 0.00 H new ATOM 242 N GLU A 117 -17.133 32.017 22.503 1.00 0.00 N ATOM 243 CA GLU A 117 -15.733 31.542 22.298 1.00 0.00 C ATOM 244 C GLU A 117 -15.473 30.308 23.168 1.00 0.00 C ATOM 245 O GLU A 117 -14.670 29.458 22.829 1.00 0.00 O ATOM 246 CB GLU A 117 -14.753 32.654 22.679 1.00 0.00 C ATOM 247 CG GLU A 117 -15.040 33.123 24.106 1.00 0.00 C ATOM 248 CD GLU A 117 -13.903 34.027 24.585 1.00 0.00 C ATOM 249 OE1 GLU A 117 -12.773 33.565 24.603 1.00 0.00 O ATOM 250 OE2 GLU A 117 -14.180 35.166 24.924 1.00 0.00 O ATOM 0 H GLU A 117 -17.219 32.970 22.856 1.00 0.00 H new ATOM 0 HA GLU A 117 -15.592 31.279 21.250 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -13.728 32.291 22.604 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -14.847 33.489 21.985 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -15.986 33.663 24.139 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -15.140 32.264 24.769 1.00 0.00 H new ATOM 257 N HIS A 118 -16.150 30.203 24.284 1.00 0.00 N ATOM 258 CA HIS A 118 -15.952 29.025 25.179 1.00 0.00 C ATOM 259 C HIS A 118 -16.857 27.882 24.714 1.00 0.00 C ATOM 260 O HIS A 118 -16.485 26.725 24.762 1.00 0.00 O ATOM 261 CB HIS A 118 -16.313 29.409 26.615 1.00 0.00 C ATOM 262 CG HIS A 118 -15.389 30.497 27.091 1.00 0.00 C ATOM 263 ND1 HIS A 118 -15.800 31.481 27.975 1.00 0.00 N ATOM 264 CD2 HIS A 118 -14.072 30.767 26.815 1.00 0.00 C ATOM 265 CE1 HIS A 118 -14.749 32.291 28.198 1.00 0.00 C ATOM 266 NE2 HIS A 118 -13.669 31.900 27.515 1.00 0.00 N ATOM 0 H HIS A 118 -16.833 30.885 24.614 1.00 0.00 H new ATOM 0 HA HIS A 118 -14.910 28.707 25.141 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -17.347 29.749 26.663 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -16.233 28.539 27.266 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -13.444 30.188 26.155 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -14.775 33.152 28.849 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -12.748 32.338 27.508 1.00 0.00 H new ATOM 274 N LEU A 119 -18.044 28.202 24.265 1.00 0.00 N ATOM 275 CA LEU A 119 -18.986 27.150 23.793 1.00 0.00 C ATOM 276 C LEU A 119 -18.418 26.452 22.552 1.00 0.00 C ATOM 277 O LEU A 119 -18.789 25.338 22.240 1.00 0.00 O ATOM 278 CB LEU A 119 -20.330 27.799 23.436 1.00 0.00 C ATOM 279 CG LEU A 119 -21.492 26.900 23.878 1.00 0.00 C ATOM 280 CD1 LEU A 119 -22.809 27.517 23.409 1.00 0.00 C ATOM 281 CD2 LEU A 119 -21.344 25.507 23.259 1.00 0.00 C ATOM 0 H LEU A 119 -18.401 29.156 24.206 1.00 0.00 H new ATOM 0 HA LEU A 119 -19.125 26.414 24.585 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -20.411 28.773 23.919 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -20.384 27.971 22.361 1.00 0.00 H new ATOM 0 HG LEU A 119 -21.484 26.813 24.964 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -23.639 26.883 23.720 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -22.924 28.507 23.850 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -22.805 27.602 22.322 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -22.174 24.877 23.579 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -21.349 25.589 22.172 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -20.404 25.062 23.585 1.00 0.00 H new ATOM 293 N LYS A 120 -17.536 27.103 21.833 1.00 0.00 N ATOM 294 CA LYS A 120 -16.955 26.485 20.602 1.00 0.00 C ATOM 295 C LYS A 120 -16.256 25.165 20.954 1.00 0.00 C ATOM 296 O LYS A 120 -16.398 24.176 20.258 1.00 0.00 O ATOM 297 CB LYS A 120 -15.941 27.453 19.981 1.00 0.00 C ATOM 298 CG LYS A 120 -16.594 28.205 18.817 1.00 0.00 C ATOM 299 CD LYS A 120 -16.293 27.478 17.504 1.00 0.00 C ATOM 300 CE LYS A 120 -16.533 28.427 16.329 1.00 0.00 C ATOM 301 NZ LYS A 120 -16.380 27.681 15.049 1.00 0.00 N ATOM 0 H LYS A 120 -17.193 28.039 22.047 1.00 0.00 H new ATOM 0 HA LYS A 120 -17.755 26.282 19.890 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -15.591 28.160 20.733 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -15.068 26.904 19.628 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -17.671 28.269 18.971 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -16.217 29.227 18.774 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -15.261 27.128 17.498 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -16.928 26.597 17.410 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -17.532 28.858 16.394 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -15.826 29.255 16.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -16.543 28.326 14.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -15.418 27.290 14.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -17.072 26.905 15.015 1.00 0.00 H new ATOM 315 N ARG A 121 -15.503 25.145 22.024 1.00 0.00 N ATOM 316 CA ARG A 121 -14.790 23.894 22.422 1.00 0.00 C ATOM 317 C ARG A 121 -15.799 22.876 22.960 1.00 0.00 C ATOM 318 O ARG A 121 -15.799 21.722 22.572 1.00 0.00 O ATOM 319 CB ARG A 121 -13.767 24.220 23.515 1.00 0.00 C ATOM 320 CG ARG A 121 -12.385 24.418 22.886 1.00 0.00 C ATOM 321 CD ARG A 121 -12.106 25.912 22.718 1.00 0.00 C ATOM 322 NE ARG A 121 -12.009 26.553 24.060 1.00 0.00 N ATOM 323 CZ ARG A 121 -10.840 26.833 24.568 1.00 0.00 C ATOM 324 NH1 ARG A 121 -9.886 25.942 24.540 1.00 0.00 N ATOM 325 NH2 ARG A 121 -10.624 28.004 25.102 1.00 0.00 N ATOM 0 H ARG A 121 -15.351 25.943 22.641 1.00 0.00 H new ATOM 0 HA ARG A 121 -14.281 23.475 21.554 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -14.066 25.121 24.050 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -13.732 23.413 24.246 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -11.620 23.964 23.515 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -12.340 23.918 21.918 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -11.179 26.060 22.165 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -12.902 26.378 22.137 1.00 0.00 H new ATOM 0 HE ARG A 121 -12.857 26.773 24.582 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -10.055 25.027 24.121 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -8.972 26.161 24.937 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -11.369 28.700 25.122 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -9.710 28.223 25.499 1.00 0.00 H new ATOM 339 N HIS A 122 -16.652 23.297 23.855 1.00 0.00 N ATOM 340 CA HIS A 122 -17.669 22.369 24.442 1.00 0.00 C ATOM 341 C HIS A 122 -18.540 21.771 23.320 1.00 0.00 C ATOM 342 O HIS A 122 -19.160 20.740 23.498 1.00 0.00 O ATOM 343 CB HIS A 122 -18.542 23.164 25.433 1.00 0.00 C ATOM 344 CG HIS A 122 -19.704 22.329 25.919 1.00 0.00 C ATOM 345 ND1 HIS A 122 -19.558 21.356 26.894 1.00 0.00 N ATOM 346 CD2 HIS A 122 -21.032 22.320 25.574 1.00 0.00 C ATOM 347 CE1 HIS A 122 -20.768 20.805 27.100 1.00 0.00 C ATOM 348 NE2 HIS A 122 -21.703 21.356 26.322 1.00 0.00 N ATOM 0 H HIS A 122 -16.690 24.253 24.209 1.00 0.00 H new ATOM 0 HA HIS A 122 -17.174 21.550 24.965 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -17.937 23.482 26.282 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -18.915 24.068 24.951 1.00 0.00 H new ATOM 0 HD1 HIS A 122 -18.691 21.103 27.369 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -21.487 22.963 24.835 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -20.960 20.013 27.809 1.00 0.00 H new ATOM 356 N TYR A 123 -18.597 22.413 22.178 1.00 0.00 N ATOM 357 CA TYR A 123 -19.433 21.883 21.062 1.00 0.00 C ATOM 358 C TYR A 123 -18.619 20.877 20.243 1.00 0.00 C ATOM 359 O TYR A 123 -19.148 19.905 19.736 1.00 0.00 O ATOM 360 CB TYR A 123 -19.885 23.051 20.163 1.00 0.00 C ATOM 361 CG TYR A 123 -21.399 23.124 20.098 1.00 0.00 C ATOM 362 CD1 TYR A 123 -22.162 21.958 19.931 1.00 0.00 C ATOM 363 CD2 TYR A 123 -22.039 24.366 20.200 1.00 0.00 C ATOM 364 CE1 TYR A 123 -23.559 22.037 19.868 1.00 0.00 C ATOM 365 CE2 TYR A 123 -23.435 24.444 20.136 1.00 0.00 C ATOM 366 CZ TYR A 123 -24.195 23.279 19.971 1.00 0.00 C ATOM 367 OH TYR A 123 -25.572 23.356 19.907 1.00 0.00 O ATOM 0 H TYR A 123 -18.100 23.280 21.973 1.00 0.00 H new ATOM 0 HA TYR A 123 -20.311 21.382 21.469 1.00 0.00 H new ATOM 0 HB2 TYR A 123 -19.487 23.989 20.550 1.00 0.00 H new ATOM 0 HB3 TYR A 123 -19.479 22.922 19.160 1.00 0.00 H new ATOM 0 HD1 TYR A 123 -21.672 20.999 19.851 1.00 0.00 H new ATOM 0 HD2 TYR A 123 -21.454 25.265 20.328 1.00 0.00 H new ATOM 0 HE1 TYR A 123 -24.145 21.139 19.740 1.00 0.00 H new ATOM 0 HE2 TYR A 123 -23.926 25.403 20.214 1.00 0.00 H new ATOM 0 HH TYR A 123 -25.852 24.291 19.996 1.00 0.00 H new ATOM 377 N ARG A 124 -17.337 21.106 20.110 1.00 0.00 N ATOM 378 CA ARG A 124 -16.482 20.168 19.324 1.00 0.00 C ATOM 379 C ARG A 124 -16.427 18.810 20.027 1.00 0.00 C ATOM 380 O ARG A 124 -16.270 17.781 19.395 1.00 0.00 O ATOM 381 CB ARG A 124 -15.067 20.740 19.211 1.00 0.00 C ATOM 382 CG ARG A 124 -14.951 21.565 17.928 1.00 0.00 C ATOM 383 CD ARG A 124 -13.493 21.974 17.712 1.00 0.00 C ATOM 384 NE ARG A 124 -12.825 20.984 16.821 1.00 0.00 N ATOM 385 CZ ARG A 124 -11.541 20.776 16.923 1.00 0.00 C ATOM 386 NH1 ARG A 124 -10.723 21.787 17.035 1.00 0.00 N ATOM 387 NH2 ARG A 124 -11.074 19.558 16.914 1.00 0.00 N ATOM 0 H ARG A 124 -16.846 21.904 20.513 1.00 0.00 H new ATOM 0 HA ARG A 124 -16.906 20.043 18.328 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -14.845 21.363 20.078 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -14.336 19.931 19.203 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -15.306 20.984 17.077 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -15.582 22.451 17.995 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -13.445 22.968 17.268 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -12.973 22.026 18.669 1.00 0.00 H new ATOM 0 HE ARG A 124 -13.372 20.469 16.131 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -11.088 22.740 17.043 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -9.719 21.624 17.115 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -11.713 18.768 16.827 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -10.070 19.396 16.994 1.00 0.00 H new ATOM 401 N SER A 125 -16.555 18.799 21.330 1.00 0.00 N ATOM 402 CA SER A 125 -16.509 17.510 22.083 1.00 0.00 C ATOM 403 C SER A 125 -17.850 16.781 21.942 1.00 0.00 C ATOM 404 O SER A 125 -17.912 15.568 22.020 1.00 0.00 O ATOM 405 CB SER A 125 -16.238 17.794 23.560 1.00 0.00 C ATOM 406 OG SER A 125 -17.383 18.408 24.138 1.00 0.00 O ATOM 0 H SER A 125 -16.690 19.630 21.906 1.00 0.00 H new ATOM 0 HA SER A 125 -15.714 16.884 21.679 1.00 0.00 H new ATOM 0 HB2 SER A 125 -16.005 16.867 24.084 1.00 0.00 H new ATOM 0 HB3 SER A 125 -15.370 18.446 23.664 1.00 0.00 H new ATOM 0 HG SER A 125 -17.647 19.182 23.598 1.00 0.00 H new ATOM 412 N HIS A 126 -18.919 17.510 21.739 1.00 0.00 N ATOM 413 CA HIS A 126 -20.256 16.862 21.595 1.00 0.00 C ATOM 414 C HIS A 126 -20.260 15.969 20.354 1.00 0.00 C ATOM 415 O HIS A 126 -20.311 14.757 20.452 1.00 0.00 O ATOM 416 CB HIS A 126 -21.332 17.939 21.450 1.00 0.00 C ATOM 417 CG HIS A 126 -21.849 18.318 22.810 1.00 0.00 C ATOM 418 ND1 HIS A 126 -22.336 17.377 23.702 1.00 0.00 N ATOM 419 CD2 HIS A 126 -21.959 19.531 23.444 1.00 0.00 C ATOM 420 CE1 HIS A 126 -22.714 18.032 24.815 1.00 0.00 C ATOM 421 NE2 HIS A 126 -22.506 19.347 24.710 1.00 0.00 N ATOM 0 H HIS A 126 -18.922 18.527 21.667 1.00 0.00 H new ATOM 0 HA HIS A 126 -20.463 16.258 22.478 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -20.920 18.815 20.949 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -22.148 17.571 20.828 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -21.666 20.482 23.024 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -23.134 17.553 25.687 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -22.705 20.063 25.408 1.00 0.00 H new ATOM 508 N TYR A 132 -12.037 6.672 12.281 1.00 0.00 N ATOM 509 CA TYR A 132 -11.052 5.577 12.022 1.00 0.00 C ATOM 510 C TYR A 132 -11.420 4.321 12.839 1.00 0.00 C ATOM 511 O TYR A 132 -10.794 4.043 13.843 1.00 0.00 O ATOM 512 CB TYR A 132 -9.650 6.055 12.415 1.00 0.00 C ATOM 513 CG TYR A 132 -9.290 7.277 11.606 1.00 0.00 C ATOM 514 CD1 TYR A 132 -9.089 7.169 10.224 1.00 0.00 C ATOM 515 CD2 TYR A 132 -9.159 8.520 12.237 1.00 0.00 C ATOM 516 CE1 TYR A 132 -8.755 8.303 9.474 1.00 0.00 C ATOM 517 CE2 TYR A 132 -8.826 9.654 11.487 1.00 0.00 C ATOM 518 CZ TYR A 132 -8.624 9.545 10.105 1.00 0.00 C ATOM 519 OH TYR A 132 -8.295 10.663 9.366 1.00 0.00 O ATOM 0 HA TYR A 132 -11.072 5.323 10.962 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -9.619 6.288 13.479 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -8.922 5.263 12.241 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -9.192 6.211 9.737 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -9.315 8.604 13.302 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -8.598 8.219 8.409 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -8.725 10.613 11.974 1.00 0.00 H new ATOM 0 HH TYR A 132 -8.245 11.443 9.957 1.00 0.00 H new ATOM 529 N PRO A 133 -12.419 3.583 12.388 1.00 0.00 N ATOM 530 CA PRO A 133 -12.852 2.354 13.080 1.00 0.00 C ATOM 531 C PRO A 133 -11.906 1.194 12.748 1.00 0.00 C ATOM 532 O PRO A 133 -11.766 0.806 11.603 1.00 0.00 O ATOM 533 CB PRO A 133 -14.251 2.093 12.514 1.00 0.00 C ATOM 534 CG PRO A 133 -14.316 2.821 11.151 1.00 0.00 C ATOM 535 CD PRO A 133 -13.209 3.891 11.168 1.00 0.00 C ATOM 0 HA PRO A 133 -12.849 2.451 14.166 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -14.427 1.024 12.392 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -15.019 2.467 13.191 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -14.164 2.120 10.330 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -15.294 3.278 11.003 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -12.592 3.839 10.271 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -13.628 4.896 11.209 1.00 0.00 H new ATOM 543 N CYS A 134 -11.258 0.637 13.743 1.00 0.00 N ATOM 544 CA CYS A 134 -10.320 -0.500 13.493 1.00 0.00 C ATOM 545 C CYS A 134 -11.099 -1.684 12.912 1.00 0.00 C ATOM 546 O CYS A 134 -12.052 -2.159 13.501 1.00 0.00 O ATOM 547 CB CYS A 134 -9.660 -0.917 14.811 1.00 0.00 C ATOM 548 SG CYS A 134 -8.395 -2.177 14.496 1.00 0.00 S ATOM 0 H CYS A 134 -11.339 0.922 14.719 1.00 0.00 H new ATOM 0 HA CYS A 134 -9.551 -0.189 12.786 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -9.209 -0.049 15.293 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -10.412 -1.308 15.497 1.00 0.00 H new ATOM 0 HG CYS A 134 -8.341 -2.999 15.502 1.00 0.00 H new ATOM 553 N GLY A 135 -10.695 -2.163 11.763 1.00 0.00 N ATOM 554 CA GLY A 135 -11.403 -3.319 11.135 1.00 0.00 C ATOM 555 C GLY A 135 -10.649 -4.610 11.452 1.00 0.00 C ATOM 556 O GLY A 135 -10.544 -5.496 10.625 1.00 0.00 O ATOM 0 H GLY A 135 -9.903 -1.802 11.231 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -12.425 -3.381 11.509 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -11.467 -3.178 10.056 1.00 0.00 H new ATOM 560 N LEU A 136 -10.123 -4.719 12.645 1.00 0.00 N ATOM 561 CA LEU A 136 -9.368 -5.950 13.028 1.00 0.00 C ATOM 562 C LEU A 136 -9.801 -6.389 14.430 1.00 0.00 C ATOM 563 O LEU A 136 -10.061 -7.554 14.672 1.00 0.00 O ATOM 564 CB LEU A 136 -7.860 -5.660 13.025 1.00 0.00 C ATOM 565 CG LEU A 136 -7.473 -4.882 11.761 1.00 0.00 C ATOM 566 CD1 LEU A 136 -6.009 -4.451 11.849 1.00 0.00 C ATOM 567 CD2 LEU A 136 -7.665 -5.772 10.531 1.00 0.00 C ATOM 0 H LEU A 136 -10.184 -4.007 13.372 1.00 0.00 H new ATOM 0 HA LEU A 136 -9.580 -6.743 12.311 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -7.591 -5.085 13.911 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -7.302 -6.595 13.070 1.00 0.00 H new ATOM 0 HG LEU A 136 -8.107 -4.000 11.676 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -5.738 -3.899 10.949 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -5.869 -3.814 12.722 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -5.375 -5.333 11.938 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -7.390 -5.217 9.634 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -7.033 -6.656 10.619 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -8.709 -6.077 10.462 1.00 0.00 H new ATOM 579 N CYS A 137 -9.884 -5.463 15.349 1.00 0.00 N ATOM 580 CA CYS A 137 -10.304 -5.808 16.742 1.00 0.00 C ATOM 581 C CYS A 137 -11.731 -5.304 17.017 1.00 0.00 C ATOM 582 O CYS A 137 -12.296 -5.572 18.059 1.00 0.00 O ATOM 583 CB CYS A 137 -9.335 -5.159 17.731 1.00 0.00 C ATOM 584 SG CYS A 137 -9.317 -3.359 17.503 1.00 0.00 S ATOM 0 H CYS A 137 -9.678 -4.476 15.195 1.00 0.00 H new ATOM 0 HA CYS A 137 -10.289 -6.892 16.859 1.00 0.00 H new ATOM 0 HB2 CYS A 137 -9.630 -5.400 18.752 1.00 0.00 H new ATOM 0 HB3 CYS A 137 -8.332 -5.561 17.586 1.00 0.00 H new ATOM 0 HG CYS A 137 -8.091 -2.953 17.356 1.00 0.00 H new ATOM 589 N ASN A 138 -12.310 -4.566 16.096 1.00 0.00 N ATOM 590 CA ASN A 138 -13.695 -4.023 16.287 1.00 0.00 C ATOM 591 C ASN A 138 -13.653 -2.872 17.297 1.00 0.00 C ATOM 592 O ASN A 138 -14.441 -2.811 18.224 1.00 0.00 O ATOM 593 CB ASN A 138 -14.651 -5.122 16.783 1.00 0.00 C ATOM 594 CG ASN A 138 -16.092 -4.726 16.466 1.00 0.00 C ATOM 595 OD1 ASN A 138 -16.349 -4.048 15.491 1.00 0.00 O ATOM 596 ND2 ASN A 138 -17.054 -5.124 17.254 1.00 0.00 N ATOM 0 H ASN A 138 -11.875 -4.314 15.208 1.00 0.00 H new ATOM 0 HA ASN A 138 -14.065 -3.659 15.329 1.00 0.00 H new ATOM 0 HB2 ASN A 138 -14.410 -6.071 16.305 1.00 0.00 H new ATOM 0 HB3 ASN A 138 -14.530 -5.266 17.857 1.00 0.00 H new ATOM 0 HD21 ASN A 138 -18.020 -4.866 17.051 1.00 0.00 H new ATOM 0 HD22 ASN A 138 -16.840 -5.693 18.073 1.00 0.00 H new ATOM 603 N ARG A 139 -12.738 -1.954 17.114 1.00 0.00 N ATOM 604 CA ARG A 139 -12.631 -0.791 18.042 1.00 0.00 C ATOM 605 C ARG A 139 -12.760 0.503 17.235 1.00 0.00 C ATOM 606 O ARG A 139 -13.069 0.475 16.059 1.00 0.00 O ATOM 607 CB ARG A 139 -11.272 -0.825 18.747 1.00 0.00 C ATOM 608 CG ARG A 139 -11.268 -1.941 19.795 1.00 0.00 C ATOM 609 CD ARG A 139 -10.030 -1.804 20.681 1.00 0.00 C ATOM 610 NE ARG A 139 -10.165 -2.698 21.865 1.00 0.00 N ATOM 611 CZ ARG A 139 -10.522 -2.203 23.019 1.00 0.00 C ATOM 612 NH1 ARG A 139 -11.541 -1.392 23.095 1.00 0.00 N ATOM 613 NH2 ARG A 139 -9.859 -2.521 24.098 1.00 0.00 N ATOM 0 H ARG A 139 -12.056 -1.962 16.355 1.00 0.00 H new ATOM 0 HA ARG A 139 -13.424 -0.838 18.789 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -10.477 -0.992 18.020 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -11.073 0.135 19.222 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -12.171 -1.887 20.403 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -11.272 -2.915 19.305 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -9.135 -2.064 20.116 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -9.914 -0.770 21.004 1.00 0.00 H new ATOM 0 HE ARG A 139 -9.979 -3.697 21.774 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -12.060 -1.144 22.252 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -11.819 -1.006 23.997 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -9.063 -3.156 24.039 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -10.137 -2.135 25.000 1.00 0.00 H new ATOM 627 N ALA A 140 -12.531 1.637 17.853 1.00 0.00 N ATOM 628 CA ALA A 140 -12.646 2.928 17.115 1.00 0.00 C ATOM 629 C ALA A 140 -11.622 3.933 17.653 1.00 0.00 C ATOM 630 O ALA A 140 -11.298 3.937 18.825 1.00 0.00 O ATOM 631 CB ALA A 140 -14.057 3.490 17.294 1.00 0.00 C ATOM 0 H ALA A 140 -12.270 1.721 18.835 1.00 0.00 H new ATOM 0 HA ALA A 140 -12.451 2.755 16.057 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -14.144 4.434 16.756 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -14.784 2.780 16.901 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -14.250 3.658 18.354 1.00 0.00 H new ATOM 637 N PHE A 141 -11.119 4.786 16.797 1.00 0.00 N ATOM 638 CA PHE A 141 -10.117 5.803 17.236 1.00 0.00 C ATOM 639 C PHE A 141 -10.494 7.163 16.645 1.00 0.00 C ATOM 640 O PHE A 141 -11.379 7.261 15.815 1.00 0.00 O ATOM 641 CB PHE A 141 -8.724 5.404 16.740 1.00 0.00 C ATOM 642 CG PHE A 141 -8.333 4.075 17.336 1.00 0.00 C ATOM 643 CD1 PHE A 141 -8.926 2.896 16.869 1.00 0.00 C ATOM 644 CD2 PHE A 141 -7.373 4.019 18.354 1.00 0.00 C ATOM 645 CE1 PHE A 141 -8.562 1.663 17.421 1.00 0.00 C ATOM 646 CE2 PHE A 141 -7.008 2.785 18.906 1.00 0.00 C ATOM 647 CZ PHE A 141 -7.604 1.607 18.438 1.00 0.00 C ATOM 0 H PHE A 141 -11.361 4.821 15.807 1.00 0.00 H new ATOM 0 HA PHE A 141 -10.109 5.860 18.324 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -8.719 5.341 15.652 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -7.996 6.166 17.018 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -9.665 2.938 16.082 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -6.914 4.928 18.714 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -9.021 0.754 17.061 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -6.268 2.742 19.691 1.00 0.00 H new ATOM 0 HZ PHE A 141 -7.323 0.655 18.863 1.00 0.00 H new ATOM 657 N THR A 142 -9.835 8.213 17.068 1.00 0.00 N ATOM 658 CA THR A 142 -10.161 9.570 16.535 1.00 0.00 C ATOM 659 C THR A 142 -9.008 10.074 15.663 1.00 0.00 C ATOM 660 O THR A 142 -9.221 10.748 14.673 1.00 0.00 O ATOM 661 CB THR A 142 -10.380 10.541 17.700 1.00 0.00 C ATOM 662 OG1 THR A 142 -10.796 9.819 18.850 1.00 0.00 O ATOM 663 CG2 THR A 142 -11.455 11.560 17.319 1.00 0.00 C ATOM 0 H THR A 142 -9.085 8.188 17.759 1.00 0.00 H new ATOM 0 HA THR A 142 -11.069 9.510 15.935 1.00 0.00 H new ATOM 0 HB THR A 142 -9.447 11.061 17.918 1.00 0.00 H new ATOM 0 HG1 THR A 142 -10.934 10.441 19.595 1.00 0.00 H new ATOM 0 HG21 THR A 142 -11.611 12.251 18.147 1.00 0.00 H new ATOM 0 HG22 THR A 142 -11.133 12.116 16.438 1.00 0.00 H new ATOM 0 HG23 THR A 142 -12.388 11.040 17.099 1.00 0.00 H new ATOM 671 N ARG A 143 -7.791 9.756 16.027 1.00 0.00 N ATOM 672 CA ARG A 143 -6.621 10.218 15.223 1.00 0.00 C ATOM 673 C ARG A 143 -6.168 9.101 14.283 1.00 0.00 C ATOM 674 O ARG A 143 -6.139 7.942 14.650 1.00 0.00 O ATOM 675 CB ARG A 143 -5.473 10.595 16.164 1.00 0.00 C ATOM 676 CG ARG A 143 -5.971 11.606 17.201 1.00 0.00 C ATOM 677 CD ARG A 143 -4.884 12.652 17.467 1.00 0.00 C ATOM 678 NE ARG A 143 -5.051 13.794 16.525 1.00 0.00 N ATOM 679 CZ ARG A 143 -5.699 14.864 16.901 1.00 0.00 C ATOM 680 NH1 ARG A 143 -6.993 14.821 17.065 1.00 0.00 N ATOM 681 NH2 ARG A 143 -5.053 15.978 17.112 1.00 0.00 N ATOM 0 H ARG A 143 -7.558 9.196 16.847 1.00 0.00 H new ATOM 0 HA ARG A 143 -6.908 11.088 14.633 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -5.091 9.705 16.663 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -4.647 11.020 15.594 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -6.878 12.093 16.842 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -6.230 11.093 18.127 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -4.948 13.004 18.497 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -3.897 12.206 17.343 1.00 0.00 H new ATOM 0 HE ARG A 143 -4.659 13.740 15.585 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -7.499 13.951 16.900 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -7.498 15.657 17.359 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -4.042 16.013 16.983 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -5.559 16.813 17.406 1.00 0.00 H new ATOM 695 N ARG A 144 -5.814 9.445 13.069 1.00 0.00 N ATOM 696 CA ARG A 144 -5.362 8.412 12.093 1.00 0.00 C ATOM 697 C ARG A 144 -4.046 7.796 12.574 1.00 0.00 C ATOM 698 O ARG A 144 -3.817 6.610 12.429 1.00 0.00 O ATOM 699 CB ARG A 144 -5.149 9.062 10.724 1.00 0.00 C ATOM 700 CG ARG A 144 -4.905 7.976 9.674 1.00 0.00 C ATOM 701 CD ARG A 144 -5.497 8.418 8.335 1.00 0.00 C ATOM 702 NE ARG A 144 -5.576 7.248 7.416 1.00 0.00 N ATOM 703 CZ ARG A 144 -6.653 6.512 7.390 1.00 0.00 C ATOM 704 NH1 ARG A 144 -6.838 5.593 8.299 1.00 0.00 N ATOM 705 NH2 ARG A 144 -7.545 6.694 6.454 1.00 0.00 N ATOM 0 H ARG A 144 -5.820 10.401 12.713 1.00 0.00 H new ATOM 0 HA ARG A 144 -6.120 7.633 12.012 1.00 0.00 H new ATOM 0 HB2 ARG A 144 -6.022 9.656 10.452 1.00 0.00 H new ATOM 0 HB3 ARG A 144 -4.299 9.743 10.762 1.00 0.00 H new ATOM 0 HG2 ARG A 144 -3.836 7.792 9.568 1.00 0.00 H new ATOM 0 HG3 ARG A 144 -5.360 7.038 9.993 1.00 0.00 H new ATOM 0 HD2 ARG A 144 -6.489 8.843 8.487 1.00 0.00 H new ATOM 0 HD3 ARG A 144 -4.880 9.200 7.893 1.00 0.00 H new ATOM 0 HE ARG A 144 -4.789 7.023 6.808 1.00 0.00 H new ATOM 0 HH11 ARG A 144 -6.141 5.450 9.029 1.00 0.00 H new ATOM 0 HH12 ARG A 144 -7.680 5.018 8.279 1.00 0.00 H new ATOM 0 HH21 ARG A 144 -7.400 7.411 5.744 1.00 0.00 H new ATOM 0 HH22 ARG A 144 -8.387 6.119 6.433 1.00 0.00 H new ATOM 719 N ASP A 145 -3.181 8.595 13.147 1.00 0.00 N ATOM 720 CA ASP A 145 -1.876 8.066 13.643 1.00 0.00 C ATOM 721 C ASP A 145 -2.130 7.038 14.749 1.00 0.00 C ATOM 722 O ASP A 145 -1.360 6.114 14.935 1.00 0.00 O ATOM 723 CB ASP A 145 -1.037 9.217 14.198 1.00 0.00 C ATOM 724 CG ASP A 145 -1.846 9.981 15.248 1.00 0.00 C ATOM 725 OD1 ASP A 145 -1.949 9.489 16.361 1.00 0.00 O ATOM 726 OD2 ASP A 145 -2.349 11.044 14.924 1.00 0.00 O ATOM 0 H ASP A 145 -3.324 9.594 13.293 1.00 0.00 H new ATOM 0 HA ASP A 145 -1.340 7.590 12.821 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -0.119 8.831 14.641 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -0.743 9.888 13.391 1.00 0.00 H new ATOM 731 N LEU A 146 -3.203 7.196 15.481 1.00 0.00 N ATOM 732 CA LEU A 146 -3.517 6.235 16.578 1.00 0.00 C ATOM 733 C LEU A 146 -3.818 4.855 15.988 1.00 0.00 C ATOM 734 O LEU A 146 -3.248 3.861 16.396 1.00 0.00 O ATOM 735 CB LEU A 146 -4.740 6.731 17.352 1.00 0.00 C ATOM 736 CG LEU A 146 -4.290 7.626 18.506 1.00 0.00 C ATOM 737 CD1 LEU A 146 -5.510 8.309 19.127 1.00 0.00 C ATOM 738 CD2 LEU A 146 -3.590 6.774 19.567 1.00 0.00 C ATOM 0 H LEU A 146 -3.877 7.953 15.365 1.00 0.00 H new ATOM 0 HA LEU A 146 -2.661 6.162 17.248 1.00 0.00 H new ATOM 0 HB2 LEU A 146 -5.403 7.284 16.687 1.00 0.00 H new ATOM 0 HB3 LEU A 146 -5.308 5.884 17.736 1.00 0.00 H new ATOM 0 HG LEU A 146 -3.600 8.383 18.132 1.00 0.00 H new ATOM 0 HD11 LEU A 146 -5.190 8.948 19.950 1.00 0.00 H new ATOM 0 HD12 LEU A 146 -6.012 8.914 18.372 1.00 0.00 H new ATOM 0 HD13 LEU A 146 -6.199 7.552 19.502 1.00 0.00 H new ATOM 0 HD21 LEU A 146 -3.268 7.411 20.391 1.00 0.00 H new ATOM 0 HD22 LEU A 146 -4.281 6.018 19.941 1.00 0.00 H new ATOM 0 HD23 LEU A 146 -2.721 6.285 19.126 1.00 0.00 H new ATOM 750 N LEU A 147 -4.718 4.791 15.041 1.00 0.00 N ATOM 751 CA LEU A 147 -5.075 3.478 14.423 1.00 0.00 C ATOM 752 C LEU A 147 -3.840 2.845 13.773 1.00 0.00 C ATOM 753 O LEU A 147 -3.671 1.642 13.798 1.00 0.00 O ATOM 754 CB LEU A 147 -6.153 3.689 13.357 1.00 0.00 C ATOM 755 CG LEU A 147 -7.055 2.455 13.290 1.00 0.00 C ATOM 756 CD1 LEU A 147 -8.207 2.716 12.319 1.00 0.00 C ATOM 757 CD2 LEU A 147 -6.241 1.253 12.799 1.00 0.00 C ATOM 0 H LEU A 147 -5.223 5.595 14.667 1.00 0.00 H new ATOM 0 HA LEU A 147 -5.450 2.814 15.202 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -6.745 4.573 13.594 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -5.690 3.867 12.387 1.00 0.00 H new ATOM 0 HG LEU A 147 -7.455 2.245 14.282 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -8.849 1.837 12.272 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -8.788 3.571 12.665 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -7.806 2.927 11.327 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -6.883 0.374 12.751 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -5.841 1.465 11.807 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -5.418 1.064 13.489 1.00 0.00 H new ATOM 769 N ILE A 148 -2.981 3.643 13.190 1.00 0.00 N ATOM 770 CA ILE A 148 -1.759 3.083 12.537 1.00 0.00 C ATOM 771 C ILE A 148 -0.860 2.453 13.604 1.00 0.00 C ATOM 772 O ILE A 148 -0.223 1.445 13.370 1.00 0.00 O ATOM 773 CB ILE A 148 -1.001 4.199 11.812 1.00 0.00 C ATOM 774 CG1 ILE A 148 -1.939 4.882 10.811 1.00 0.00 C ATOM 775 CG2 ILE A 148 0.192 3.602 11.061 1.00 0.00 C ATOM 776 CD1 ILE A 148 -1.447 6.304 10.526 1.00 0.00 C ATOM 0 H ILE A 148 -3.073 4.657 13.138 1.00 0.00 H new ATOM 0 HA ILE A 148 -2.049 2.323 11.812 1.00 0.00 H new ATOM 0 HB ILE A 148 -0.645 4.929 12.539 1.00 0.00 H new ATOM 0 HG12 ILE A 148 -1.978 4.308 9.885 1.00 0.00 H new ATOM 0 HG13 ILE A 148 -2.953 4.911 11.210 1.00 0.00 H new ATOM 0 HG21 ILE A 148 0.731 4.396 10.545 1.00 0.00 H new ATOM 0 HG22 ILE A 148 0.859 3.111 11.769 1.00 0.00 H new ATOM 0 HG23 ILE A 148 -0.164 2.873 10.333 1.00 0.00 H new ATOM 0 HD11 ILE A 148 -2.117 6.785 9.814 1.00 0.00 H new ATOM 0 HD12 ILE A 148 -1.432 6.876 11.453 1.00 0.00 H new ATOM 0 HD13 ILE A 148 -0.441 6.264 10.108 1.00 0.00 H new ATOM 788 N ARG A 149 -0.812 3.039 14.772 1.00 0.00 N ATOM 789 CA ARG A 149 0.037 2.476 15.864 1.00 0.00 C ATOM 790 C ARG A 149 -0.667 1.263 16.492 1.00 0.00 C ATOM 791 O ARG A 149 -0.039 0.429 17.114 1.00 0.00 O ATOM 792 CB ARG A 149 0.263 3.548 16.935 1.00 0.00 C ATOM 793 CG ARG A 149 1.239 3.023 17.994 1.00 0.00 C ATOM 794 CD ARG A 149 0.459 2.536 19.218 1.00 0.00 C ATOM 795 NE ARG A 149 1.224 2.862 20.456 1.00 0.00 N ATOM 796 CZ ARG A 149 1.724 1.902 21.186 1.00 0.00 C ATOM 797 NH1 ARG A 149 0.952 0.945 21.623 1.00 0.00 N ATOM 798 NH2 ARG A 149 2.995 1.901 21.480 1.00 0.00 N ATOM 0 H ARG A 149 -1.326 3.885 15.017 1.00 0.00 H new ATOM 0 HA ARG A 149 0.997 2.162 15.453 1.00 0.00 H new ATOM 0 HB2 ARG A 149 0.660 4.454 16.478 1.00 0.00 H new ATOM 0 HB3 ARG A 149 -0.685 3.815 17.401 1.00 0.00 H new ATOM 0 HG2 ARG A 149 1.834 2.208 17.582 1.00 0.00 H new ATOM 0 HG3 ARG A 149 1.935 3.811 18.284 1.00 0.00 H new ATOM 0 HD2 ARG A 149 -0.523 3.009 19.249 1.00 0.00 H new ATOM 0 HD3 ARG A 149 0.293 1.461 19.153 1.00 0.00 H new ATOM 0 HE ARG A 149 1.357 3.835 20.732 1.00 0.00 H new ATOM 0 HH11 ARG A 149 -0.042 0.947 21.394 1.00 0.00 H new ATOM 0 HH12 ARG A 149 1.343 0.195 22.193 1.00 0.00 H new ATOM 0 HH21 ARG A 149 3.598 2.650 21.140 1.00 0.00 H new ATOM 0 HH22 ARG A 149 3.386 1.151 22.050 1.00 0.00 H new ATOM 812 N HIS A 150 -1.966 1.165 16.333 1.00 0.00 N ATOM 813 CA HIS A 150 -2.716 0.016 16.916 1.00 0.00 C ATOM 814 C HIS A 150 -2.429 -1.251 16.093 1.00 0.00 C ATOM 815 O HIS A 150 -2.141 -2.299 16.641 1.00 0.00 O ATOM 816 CB HIS A 150 -4.221 0.354 16.890 1.00 0.00 C ATOM 817 CG HIS A 150 -5.054 -0.851 17.251 1.00 0.00 C ATOM 818 ND1 HIS A 150 -5.185 -1.302 18.555 1.00 0.00 N ATOM 819 CD2 HIS A 150 -5.797 -1.707 16.481 1.00 0.00 C ATOM 820 CE1 HIS A 150 -5.982 -2.387 18.528 1.00 0.00 C ATOM 821 NE2 HIS A 150 -6.383 -2.676 17.288 1.00 0.00 N ATOM 0 H HIS A 150 -2.538 1.837 15.821 1.00 0.00 H new ATOM 0 HA HIS A 150 -2.404 -0.165 17.945 1.00 0.00 H new ATOM 0 HB2 HIS A 150 -4.427 1.165 17.589 1.00 0.00 H new ATOM 0 HB3 HIS A 150 -4.500 0.709 15.898 1.00 0.00 H new ATOM 0 HD1 HIS A 150 -4.756 -0.888 19.383 1.00 0.00 H new ATOM 0 HD2 HIS A 150 -5.910 -1.639 15.409 1.00 0.00 H new ATOM 0 HE1 HIS A 150 -6.263 -2.954 19.403 1.00 0.00 H new ATOM 829 N ALA A 151 -2.517 -1.163 14.791 1.00 0.00 N ATOM 830 CA ALA A 151 -2.262 -2.362 13.937 1.00 0.00 C ATOM 831 C ALA A 151 -0.761 -2.657 13.889 1.00 0.00 C ATOM 832 O ALA A 151 -0.333 -3.770 14.117 1.00 0.00 O ATOM 833 CB ALA A 151 -2.776 -2.099 12.519 1.00 0.00 C ATOM 0 H ALA A 151 -2.755 -0.312 14.282 1.00 0.00 H new ATOM 0 HA ALA A 151 -2.783 -3.220 14.361 1.00 0.00 H new ATOM 0 HB1 ALA A 151 -2.590 -2.974 11.896 1.00 0.00 H new ATOM 0 HB2 ALA A 151 -3.847 -1.898 12.552 1.00 0.00 H new ATOM 0 HB3 ALA A 151 -2.258 -1.237 12.098 1.00 0.00 H new ATOM 839 N GLN A 152 0.042 -1.668 13.592 1.00 0.00 N ATOM 840 CA GLN A 152 1.521 -1.885 13.521 1.00 0.00 C ATOM 841 C GLN A 152 2.053 -2.451 14.847 1.00 0.00 C ATOM 842 O GLN A 152 3.126 -3.022 14.891 1.00 0.00 O ATOM 843 CB GLN A 152 2.213 -0.550 13.232 1.00 0.00 C ATOM 844 CG GLN A 152 1.658 0.054 11.939 1.00 0.00 C ATOM 845 CD GLN A 152 2.603 -0.259 10.776 1.00 0.00 C ATOM 846 OE1 GLN A 152 2.867 -1.409 10.487 1.00 0.00 O ATOM 847 NE2 GLN A 152 3.126 0.723 10.094 1.00 0.00 N ATOM 0 H GLN A 152 -0.263 -0.715 13.395 1.00 0.00 H new ATOM 0 HA GLN A 152 1.731 -2.600 12.725 1.00 0.00 H new ATOM 0 HB2 GLN A 152 2.056 0.139 14.062 1.00 0.00 H new ATOM 0 HB3 GLN A 152 3.289 -0.700 13.141 1.00 0.00 H new ATOM 0 HG2 GLN A 152 0.667 -0.350 11.734 1.00 0.00 H new ATOM 0 HG3 GLN A 152 1.546 1.133 12.049 1.00 0.00 H new ATOM 0 HE21 GLN A 152 2.904 1.688 10.337 1.00 0.00 H new ATOM 0 HE22 GLN A 152 3.757 0.525 9.317 1.00 0.00 H new ATOM 856 N LYS A 153 1.324 -2.286 15.925 1.00 0.00 N ATOM 857 CA LYS A 153 1.806 -2.802 17.243 1.00 0.00 C ATOM 858 C LYS A 153 1.156 -4.154 17.565 1.00 0.00 C ATOM 859 O LYS A 153 1.714 -4.952 18.295 1.00 0.00 O ATOM 860 CB LYS A 153 1.448 -1.797 18.339 1.00 0.00 C ATOM 861 CG LYS A 153 2.381 -0.587 18.248 1.00 0.00 C ATOM 862 CD LYS A 153 3.735 -0.939 18.865 1.00 0.00 C ATOM 863 CE LYS A 153 4.837 -0.136 18.173 1.00 0.00 C ATOM 864 NZ LYS A 153 4.529 1.318 18.274 1.00 0.00 N ATOM 0 H LYS A 153 0.418 -1.817 15.948 1.00 0.00 H new ATOM 0 HA LYS A 153 2.887 -2.935 17.193 1.00 0.00 H new ATOM 0 HB2 LYS A 153 0.411 -1.479 18.231 1.00 0.00 H new ATOM 0 HB3 LYS A 153 1.537 -2.265 19.319 1.00 0.00 H new ATOM 0 HG2 LYS A 153 2.510 -0.291 17.207 1.00 0.00 H new ATOM 0 HG3 LYS A 153 1.942 0.264 18.769 1.00 0.00 H new ATOM 0 HD2 LYS A 153 3.727 -0.720 19.933 1.00 0.00 H new ATOM 0 HD3 LYS A 153 3.928 -2.007 18.759 1.00 0.00 H new ATOM 0 HE2 LYS A 153 5.801 -0.348 18.635 1.00 0.00 H new ATOM 0 HE3 LYS A 153 4.914 -0.431 17.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 5.414 1.863 18.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 3.919 1.600 17.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 4.039 1.508 19.172 1.00 0.00 H new ATOM 878 N ILE A 154 -0.018 -4.414 17.042 1.00 0.00 N ATOM 879 CA ILE A 154 -0.697 -5.714 17.339 1.00 0.00 C ATOM 880 C ILE A 154 -1.106 -6.407 16.035 1.00 0.00 C ATOM 881 O ILE A 154 -0.861 -7.584 15.851 1.00 0.00 O ATOM 882 CB ILE A 154 -1.940 -5.455 18.195 1.00 0.00 C ATOM 883 CG1 ILE A 154 -1.544 -4.668 19.449 1.00 0.00 C ATOM 884 CG2 ILE A 154 -2.565 -6.790 18.611 1.00 0.00 C ATOM 885 CD1 ILE A 154 -1.777 -3.176 19.213 1.00 0.00 C ATOM 0 H ILE A 154 -0.533 -3.786 16.425 1.00 0.00 H new ATOM 0 HA ILE A 154 -0.007 -6.361 17.881 1.00 0.00 H new ATOM 0 HB ILE A 154 -2.662 -4.880 17.616 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -2.130 -5.007 20.303 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -0.496 -4.849 19.689 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -3.449 -6.604 19.220 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -2.849 -7.352 17.721 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -1.842 -7.366 19.188 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -1.495 -2.618 20.106 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -1.172 -2.842 18.370 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -2.831 -3.002 18.995 1.00 0.00 H new ATOM 897 N HIS A 155 -1.736 -5.693 15.137 1.00 0.00 N ATOM 898 CA HIS A 155 -2.174 -6.315 13.848 1.00 0.00 C ATOM 899 C HIS A 155 -1.102 -6.116 12.768 1.00 0.00 C ATOM 900 O HIS A 155 -1.413 -5.983 11.600 1.00 0.00 O ATOM 901 CB HIS A 155 -3.479 -5.663 13.375 1.00 0.00 C ATOM 902 CG HIS A 155 -4.483 -5.625 14.499 1.00 0.00 C ATOM 903 ND1 HIS A 155 -5.029 -6.776 15.043 1.00 0.00 N ATOM 904 CD2 HIS A 155 -5.055 -4.579 15.180 1.00 0.00 C ATOM 905 CE1 HIS A 155 -5.890 -6.398 16.007 1.00 0.00 C ATOM 906 NE2 HIS A 155 -5.945 -5.070 16.132 1.00 0.00 N ATOM 0 H HIS A 155 -1.967 -4.705 15.240 1.00 0.00 H new ATOM 0 HA HIS A 155 -2.328 -7.381 14.014 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -3.281 -4.651 13.021 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -3.887 -6.221 12.532 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -4.846 -3.534 15.004 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -6.467 -7.086 16.607 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -6.516 -4.531 16.784 1.00 0.00 H new