USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=9 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 90:sc= 0.0364 USER MOD Set 1.2: A 137 CYS SG : rot -53:sc= 1.07 USER MOD Set 1.3: A 150 HIS : no HD1:sc= -0.339 K(o=-6.4,f=-19!) USER MOD Set 1.4: A 155 HIS : no HD1:sc= -7.13! C(o=-6.4!,f=-5.2!) USER MOD Set 2.1: A 106 CYS SG : rot 100:sc= -1.26 USER MOD Set 2.2: A 109 CYS SG : rot -136:sc= -0.38 USER MOD Set 2.3: A 122 HIS : no HD1:sc= 1.13! C(o=-3.5!,f=-18!) USER MOD Set 2.4: A 126 HIS : no HD1:sc= -3.03! C(o=-3.5!,f=-12!) USER MOD Single : A 110 THR OG1 : rot 1:sc= 0.439 USER MOD Single : A 116 GLN : amide:sc= -2.38 K(o=-2.4,f=-4.3!) USER MOD Single : A 118 HIS : no HD1:sc= -0.334 X(o=-0.33,f=-0.1) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 TYR OH : rot 180:sc=-0.00533 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 142 THR OG1 : rot 180:sc= 0.00131 USER MOD Single : A 152 GLN : amide:sc= -0.0586 X(o=-0.059,f=0) USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 36 N PHE A 104 -35.365 15.207 6.793 1.00 0.00 N ATOM 37 CA PHE A 104 -34.163 14.783 7.566 1.00 0.00 C ATOM 38 C PHE A 104 -34.283 13.297 7.909 1.00 0.00 C ATOM 39 O PHE A 104 -34.665 12.932 9.005 1.00 0.00 O ATOM 40 CB PHE A 104 -34.064 15.603 8.855 1.00 0.00 C ATOM 41 CG PHE A 104 -34.077 17.075 8.519 1.00 0.00 C ATOM 42 CD1 PHE A 104 -35.295 17.753 8.388 1.00 0.00 C ATOM 43 CD2 PHE A 104 -32.870 17.762 8.339 1.00 0.00 C ATOM 44 CE1 PHE A 104 -35.305 19.118 8.078 1.00 0.00 C ATOM 45 CE2 PHE A 104 -32.881 19.127 8.028 1.00 0.00 C ATOM 46 CZ PHE A 104 -34.099 19.805 7.898 1.00 0.00 C ATOM 0 HA PHE A 104 -33.267 14.948 6.968 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -34.897 15.363 9.516 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -33.149 15.350 9.390 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -36.226 17.223 8.526 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -31.931 17.239 8.440 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -36.244 19.642 7.978 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -31.950 19.657 7.888 1.00 0.00 H new ATOM 0 HZ PHE A 104 -34.108 20.858 7.659 1.00 0.00 H new ATOM 56 N VAL A 105 -33.956 12.441 6.976 1.00 0.00 N ATOM 57 CA VAL A 105 -34.042 10.970 7.235 1.00 0.00 C ATOM 58 C VAL A 105 -32.671 10.465 7.692 1.00 0.00 C ATOM 59 O VAL A 105 -31.644 10.857 7.171 1.00 0.00 O ATOM 60 CB VAL A 105 -34.518 10.220 5.959 1.00 0.00 C ATOM 61 CG1 VAL A 105 -33.799 10.764 4.720 1.00 0.00 C ATOM 62 CG2 VAL A 105 -34.254 8.704 6.069 1.00 0.00 C ATOM 0 H VAL A 105 -33.632 12.697 6.043 1.00 0.00 H new ATOM 0 HA VAL A 105 -34.773 10.777 8.020 1.00 0.00 H new ATOM 0 HB VAL A 105 -35.591 10.385 5.864 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -34.143 10.229 3.835 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -34.018 11.826 4.609 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -32.724 10.625 4.833 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -34.598 8.208 5.161 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -33.186 8.529 6.196 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -34.792 8.302 6.928 1.00 0.00 H new ATOM 72 N CYS A 106 -32.664 9.587 8.659 1.00 0.00 N ATOM 73 CA CYS A 106 -31.377 9.031 9.161 1.00 0.00 C ATOM 74 C CYS A 106 -30.778 8.121 8.089 1.00 0.00 C ATOM 75 O CYS A 106 -31.488 7.405 7.407 1.00 0.00 O ATOM 76 CB CYS A 106 -31.631 8.225 10.437 1.00 0.00 C ATOM 77 SG CYS A 106 -30.050 7.721 11.160 1.00 0.00 S ATOM 0 H CYS A 106 -33.499 9.230 9.124 1.00 0.00 H new ATOM 0 HA CYS A 106 -30.685 9.843 9.383 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -32.195 8.824 11.152 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -32.235 7.347 10.210 1.00 0.00 H new ATOM 0 HG CYS A 106 -29.746 8.521 12.138 1.00 0.00 H new ATOM 82 N GLU A 107 -29.479 8.145 7.932 1.00 0.00 N ATOM 83 CA GLU A 107 -28.827 7.284 6.898 1.00 0.00 C ATOM 84 C GLU A 107 -28.429 5.932 7.503 1.00 0.00 C ATOM 85 O GLU A 107 -27.512 5.287 7.028 1.00 0.00 O ATOM 86 CB GLU A 107 -27.578 7.991 6.367 1.00 0.00 C ATOM 87 CG GLU A 107 -27.993 9.192 5.516 1.00 0.00 C ATOM 88 CD GLU A 107 -26.971 9.403 4.398 1.00 0.00 C ATOM 89 OE1 GLU A 107 -27.021 8.664 3.429 1.00 0.00 O ATOM 90 OE2 GLU A 107 -26.156 10.302 4.529 1.00 0.00 O ATOM 0 H GLU A 107 -28.840 8.725 8.476 1.00 0.00 H new ATOM 0 HA GLU A 107 -29.531 7.112 6.084 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -26.953 8.319 7.197 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -26.981 7.300 5.772 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -28.983 9.026 5.091 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -28.058 10.086 6.137 1.00 0.00 H new ATOM 97 N VAL A 108 -29.103 5.496 8.540 1.00 0.00 N ATOM 98 CA VAL A 108 -28.755 4.187 9.165 1.00 0.00 C ATOM 99 C VAL A 108 -30.003 3.307 9.238 1.00 0.00 C ATOM 100 O VAL A 108 -29.982 2.156 8.845 1.00 0.00 O ATOM 101 CB VAL A 108 -28.207 4.421 10.576 1.00 0.00 C ATOM 102 CG1 VAL A 108 -27.720 3.094 11.164 1.00 0.00 C ATOM 103 CG2 VAL A 108 -27.037 5.413 10.520 1.00 0.00 C ATOM 0 H VAL A 108 -29.879 5.992 8.979 1.00 0.00 H new ATOM 0 HA VAL A 108 -27.996 3.688 8.562 1.00 0.00 H new ATOM 0 HB VAL A 108 -28.998 4.830 11.204 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -27.330 3.262 12.168 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -28.551 2.390 11.210 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -26.932 2.684 10.533 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -26.650 5.577 11.526 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -26.246 5.008 9.889 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -27.383 6.360 10.106 1.00 0.00 H new ATOM 113 N CYS A 109 -31.089 3.842 9.734 1.00 0.00 N ATOM 114 CA CYS A 109 -32.345 3.039 9.830 1.00 0.00 C ATOM 115 C CYS A 109 -33.414 3.603 8.885 1.00 0.00 C ATOM 116 O CYS A 109 -34.572 3.244 8.975 1.00 0.00 O ATOM 117 CB CYS A 109 -32.864 3.065 11.271 1.00 0.00 C ATOM 118 SG CYS A 109 -33.070 4.779 11.819 1.00 0.00 S ATOM 0 H CYS A 109 -31.160 4.800 10.077 1.00 0.00 H new ATOM 0 HA CYS A 109 -32.128 2.011 9.540 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -33.815 2.537 11.334 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -32.167 2.545 11.928 1.00 0.00 H new ATOM 0 HG CYS A 109 -32.606 4.907 13.027 1.00 0.00 H new ATOM 123 N THR A 110 -33.040 4.478 7.974 1.00 0.00 N ATOM 124 CA THR A 110 -34.034 5.062 7.008 1.00 0.00 C ATOM 125 C THR A 110 -35.277 5.581 7.752 1.00 0.00 C ATOM 126 O THR A 110 -36.400 5.275 7.394 1.00 0.00 O ATOM 127 CB THR A 110 -34.452 3.997 5.983 1.00 0.00 C ATOM 128 OG1 THR A 110 -35.261 3.016 6.618 1.00 0.00 O ATOM 129 CG2 THR A 110 -33.208 3.330 5.391 1.00 0.00 C ATOM 0 H THR A 110 -32.084 4.814 7.858 1.00 0.00 H new ATOM 0 HA THR A 110 -33.563 5.899 6.493 1.00 0.00 H new ATOM 0 HB THR A 110 -35.019 4.473 5.183 1.00 0.00 H new ATOM 0 HG1 THR A 110 -35.374 3.248 7.563 1.00 0.00 H new ATOM 0 HG21 THR A 110 -33.510 2.576 4.665 1.00 0.00 H new ATOM 0 HG22 THR A 110 -32.592 4.082 4.898 1.00 0.00 H new ATOM 0 HG23 THR A 110 -32.635 2.857 6.188 1.00 0.00 H new ATOM 137 N ARG A 111 -35.079 6.369 8.777 1.00 0.00 N ATOM 138 CA ARG A 111 -36.238 6.918 9.543 1.00 0.00 C ATOM 139 C ARG A 111 -36.636 8.260 8.935 1.00 0.00 C ATOM 140 O ARG A 111 -35.845 8.895 8.271 1.00 0.00 O ATOM 141 CB ARG A 111 -35.844 7.112 11.010 1.00 0.00 C ATOM 142 CG ARG A 111 -37.104 7.135 11.884 1.00 0.00 C ATOM 143 CD ARG A 111 -37.816 5.778 11.816 1.00 0.00 C ATOM 144 NE ARG A 111 -39.149 5.949 11.170 1.00 0.00 N ATOM 145 CZ ARG A 111 -40.141 6.461 11.846 1.00 0.00 C ATOM 146 NH1 ARG A 111 -40.824 5.713 12.669 1.00 0.00 N ATOM 147 NH2 ARG A 111 -40.450 7.719 11.699 1.00 0.00 N ATOM 0 H ARG A 111 -34.162 6.657 9.118 1.00 0.00 H new ATOM 0 HA ARG A 111 -37.077 6.224 9.492 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -35.183 6.306 11.329 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -35.291 8.044 11.128 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -36.836 7.363 12.916 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -37.776 7.924 11.547 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -37.214 5.067 11.250 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -37.936 5.367 12.819 1.00 0.00 H new ATOM 0 HE ARG A 111 -39.286 5.666 10.200 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -40.582 4.729 12.784 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -41.599 6.113 13.198 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -39.916 8.303 11.055 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -41.225 8.119 12.227 1.00 0.00 H new ATOM 161 N ALA A 112 -37.849 8.697 9.149 1.00 0.00 N ATOM 162 CA ALA A 112 -38.279 10.000 8.567 1.00 0.00 C ATOM 163 C ALA A 112 -38.523 11.018 9.683 1.00 0.00 C ATOM 164 O ALA A 112 -39.581 11.056 10.283 1.00 0.00 O ATOM 165 CB ALA A 112 -39.567 9.803 7.766 1.00 0.00 C ATOM 0 H ALA A 112 -38.557 8.210 9.699 1.00 0.00 H new ATOM 0 HA ALA A 112 -37.493 10.372 7.910 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -39.881 10.756 7.341 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -39.390 9.088 6.962 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -40.350 9.424 8.423 1.00 0.00 H new ATOM 171 N PHE A 113 -37.551 11.851 9.955 1.00 0.00 N ATOM 172 CA PHE A 113 -37.713 12.882 11.021 1.00 0.00 C ATOM 173 C PHE A 113 -37.839 14.259 10.369 1.00 0.00 C ATOM 174 O PHE A 113 -37.016 14.646 9.561 1.00 0.00 O ATOM 175 CB PHE A 113 -36.488 12.868 11.939 1.00 0.00 C ATOM 176 CG PHE A 113 -36.531 11.643 12.818 1.00 0.00 C ATOM 177 CD1 PHE A 113 -37.490 11.542 13.832 1.00 0.00 C ATOM 178 CD2 PHE A 113 -35.608 10.611 12.621 1.00 0.00 C ATOM 179 CE1 PHE A 113 -37.527 10.406 14.650 1.00 0.00 C ATOM 180 CE2 PHE A 113 -35.643 9.474 13.438 1.00 0.00 C ATOM 181 CZ PHE A 113 -36.604 9.372 14.452 1.00 0.00 C ATOM 0 H PHE A 113 -36.648 11.860 9.481 1.00 0.00 H new ATOM 0 HA PHE A 113 -38.607 12.665 11.606 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -35.575 12.870 11.344 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -36.470 13.769 12.553 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -38.202 12.340 13.984 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -34.868 10.691 11.839 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -38.267 10.328 15.433 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -34.930 8.677 13.286 1.00 0.00 H new ATOM 0 HZ PHE A 113 -36.633 8.495 15.082 1.00 0.00 H new ATOM 191 N ALA A 114 -38.861 15.001 10.712 1.00 0.00 N ATOM 192 CA ALA A 114 -39.040 16.356 10.112 1.00 0.00 C ATOM 193 C ALA A 114 -38.433 17.423 11.034 1.00 0.00 C ATOM 194 O ALA A 114 -38.756 18.591 10.931 1.00 0.00 O ATOM 195 CB ALA A 114 -40.532 16.635 9.924 1.00 0.00 C ATOM 0 H ALA A 114 -39.579 14.726 11.382 1.00 0.00 H new ATOM 0 HA ALA A 114 -38.535 16.389 9.147 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -40.665 17.624 9.486 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -40.962 15.884 9.261 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -41.034 16.596 10.891 1.00 0.00 H new ATOM 201 N ARG A 115 -37.555 17.033 11.930 1.00 0.00 N ATOM 202 CA ARG A 115 -36.927 18.025 12.852 1.00 0.00 C ATOM 203 C ARG A 115 -35.451 17.672 13.048 1.00 0.00 C ATOM 204 O ARG A 115 -35.117 16.574 13.456 1.00 0.00 O ATOM 205 CB ARG A 115 -37.637 17.993 14.211 1.00 0.00 C ATOM 206 CG ARG A 115 -39.146 18.168 14.017 1.00 0.00 C ATOM 207 CD ARG A 115 -39.444 19.598 13.559 1.00 0.00 C ATOM 208 NE ARG A 115 -39.277 20.532 14.706 1.00 0.00 N ATOM 209 CZ ARG A 115 -38.706 21.692 14.526 1.00 0.00 C ATOM 210 NH1 ARG A 115 -37.476 21.754 14.094 1.00 0.00 N ATOM 211 NH2 ARG A 115 -39.365 22.790 14.775 1.00 0.00 N ATOM 0 H ARG A 115 -37.248 16.069 12.060 1.00 0.00 H new ATOM 0 HA ARG A 115 -37.015 19.022 12.420 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -37.434 17.048 14.715 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -37.250 18.785 14.852 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -39.513 17.455 13.278 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -39.669 17.958 14.950 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -38.773 19.878 12.747 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -40.460 19.662 13.169 1.00 0.00 H new ATOM 0 HE ARG A 115 -39.609 20.265 15.633 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -36.961 20.896 13.897 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -37.030 22.660 13.953 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -40.327 22.742 15.111 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -38.918 23.696 14.634 1.00 0.00 H new ATOM 225 N GLN A 116 -34.567 18.592 12.761 1.00 0.00 N ATOM 226 CA GLN A 116 -33.109 18.318 12.928 1.00 0.00 C ATOM 227 C GLN A 116 -32.774 18.193 14.418 1.00 0.00 C ATOM 228 O GLN A 116 -31.840 17.511 14.794 1.00 0.00 O ATOM 229 CB GLN A 116 -32.300 19.466 12.319 1.00 0.00 C ATOM 230 CG GLN A 116 -30.848 19.024 12.129 1.00 0.00 C ATOM 231 CD GLN A 116 -30.707 18.292 10.793 1.00 0.00 C ATOM 232 OE1 GLN A 116 -30.699 18.909 9.746 1.00 0.00 O ATOM 233 NE2 GLN A 116 -30.594 16.992 10.783 1.00 0.00 N ATOM 0 H GLN A 116 -34.793 19.525 12.417 1.00 0.00 H new ATOM 0 HA GLN A 116 -32.858 17.386 12.422 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -32.730 19.760 11.361 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -32.343 20.340 12.969 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -30.187 19.890 12.152 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -30.546 18.370 12.947 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -30.601 16.473 11.661 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -30.499 16.495 9.897 1.00 0.00 H new ATOM 242 N GLU A 117 -33.529 18.848 15.263 1.00 0.00 N ATOM 243 CA GLU A 117 -33.259 18.775 16.730 1.00 0.00 C ATOM 244 C GLU A 117 -33.455 17.337 17.218 1.00 0.00 C ATOM 245 O GLU A 117 -32.742 16.864 18.083 1.00 0.00 O ATOM 246 CB GLU A 117 -34.227 19.701 17.471 1.00 0.00 C ATOM 247 CG GLU A 117 -33.860 19.743 18.957 1.00 0.00 C ATOM 248 CD GLU A 117 -32.962 20.952 19.228 1.00 0.00 C ATOM 249 OE1 GLU A 117 -33.343 22.046 18.845 1.00 0.00 O ATOM 250 OE2 GLU A 117 -31.909 20.763 19.814 1.00 0.00 O ATOM 0 H GLU A 117 -34.323 19.432 14.999 1.00 0.00 H new ATOM 0 HA GLU A 117 -32.233 19.086 16.926 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -34.184 20.704 17.047 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -35.251 19.347 17.349 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -34.763 19.805 19.564 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -33.347 18.825 19.242 1.00 0.00 H new ATOM 257 N HIS A 118 -34.421 16.641 16.672 1.00 0.00 N ATOM 258 CA HIS A 118 -34.674 15.235 17.102 1.00 0.00 C ATOM 259 C HIS A 118 -33.648 14.304 16.451 1.00 0.00 C ATOM 260 O HIS A 118 -33.194 13.350 17.053 1.00 0.00 O ATOM 261 CB HIS A 118 -36.082 14.817 16.674 1.00 0.00 C ATOM 262 CG HIS A 118 -37.059 15.151 17.767 1.00 0.00 C ATOM 263 ND1 HIS A 118 -38.348 15.583 17.501 1.00 0.00 N ATOM 264 CD2 HIS A 118 -36.948 15.121 19.136 1.00 0.00 C ATOM 265 CE1 HIS A 118 -38.957 15.794 18.682 1.00 0.00 C ATOM 266 NE2 HIS A 118 -38.149 15.527 19.711 1.00 0.00 N ATOM 0 H HIS A 118 -35.046 16.989 15.945 1.00 0.00 H new ATOM 0 HA HIS A 118 -34.586 15.168 18.186 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -36.361 15.330 15.753 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -36.107 13.748 16.464 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -36.064 14.827 19.683 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -39.976 16.138 18.785 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -38.365 15.604 20.705 1.00 0.00 H new ATOM 274 N LEU A 119 -33.284 14.575 15.223 1.00 0.00 N ATOM 275 CA LEU A 119 -32.293 13.716 14.519 1.00 0.00 C ATOM 276 C LEU A 119 -30.911 13.863 15.168 1.00 0.00 C ATOM 277 O LEU A 119 -30.066 12.999 15.037 1.00 0.00 O ATOM 278 CB LEU A 119 -32.210 14.149 13.051 1.00 0.00 C ATOM 279 CG LEU A 119 -32.045 12.923 12.146 1.00 0.00 C ATOM 280 CD1 LEU A 119 -31.922 13.384 10.695 1.00 0.00 C ATOM 281 CD2 LEU A 119 -30.781 12.154 12.536 1.00 0.00 C ATOM 0 H LEU A 119 -33.636 15.361 14.677 1.00 0.00 H new ATOM 0 HA LEU A 119 -32.608 12.675 14.586 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -33.111 14.696 12.774 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -31.369 14.829 12.912 1.00 0.00 H new ATOM 0 HG LEU A 119 -32.912 12.273 12.260 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -31.804 12.516 10.046 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -32.820 13.931 10.410 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -31.053 14.034 10.592 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -30.670 11.284 11.889 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -29.912 12.802 12.425 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -30.859 11.827 13.573 1.00 0.00 H new ATOM 293 N LYS A 120 -30.669 14.953 15.854 1.00 0.00 N ATOM 294 CA LYS A 120 -29.336 15.159 16.497 1.00 0.00 C ATOM 295 C LYS A 120 -29.068 14.043 17.517 1.00 0.00 C ATOM 296 O LYS A 120 -27.963 13.546 17.624 1.00 0.00 O ATOM 297 CB LYS A 120 -29.321 16.523 17.204 1.00 0.00 C ATOM 298 CG LYS A 120 -28.369 17.477 16.475 1.00 0.00 C ATOM 299 CD LYS A 120 -27.000 17.457 17.157 1.00 0.00 C ATOM 300 CE LYS A 120 -26.210 18.704 16.756 1.00 0.00 C ATOM 301 NZ LYS A 120 -25.351 18.390 15.580 1.00 0.00 N ATOM 0 H LYS A 120 -31.338 15.709 15.996 1.00 0.00 H new ATOM 0 HA LYS A 120 -28.558 15.134 15.734 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -30.327 16.943 17.224 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -29.006 16.402 18.240 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -28.271 17.181 15.431 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -28.775 18.488 16.482 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -27.122 17.424 18.240 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -26.452 16.559 16.870 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -26.893 19.518 16.514 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -25.594 19.042 17.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -24.813 19.237 15.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -24.690 17.626 15.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -25.949 18.088 14.784 1.00 0.00 H new ATOM 315 N ARG A 121 -30.068 13.655 18.267 1.00 0.00 N ATOM 316 CA ARG A 121 -29.873 12.579 19.286 1.00 0.00 C ATOM 317 C ARG A 121 -30.113 11.208 18.648 1.00 0.00 C ATOM 318 O ARG A 121 -29.484 10.230 19.006 1.00 0.00 O ATOM 319 CB ARG A 121 -30.859 12.784 20.437 1.00 0.00 C ATOM 320 CG ARG A 121 -30.649 14.170 21.049 1.00 0.00 C ATOM 321 CD ARG A 121 -29.668 14.069 22.218 1.00 0.00 C ATOM 322 NE ARG A 121 -30.001 15.102 23.238 1.00 0.00 N ATOM 323 CZ ARG A 121 -29.047 15.767 23.829 1.00 0.00 C ATOM 324 NH1 ARG A 121 -28.517 16.807 23.244 1.00 0.00 N ATOM 325 NH2 ARG A 121 -28.621 15.392 25.005 1.00 0.00 N ATOM 0 H ARG A 121 -31.012 14.037 18.218 1.00 0.00 H new ATOM 0 HA ARG A 121 -28.852 12.624 19.665 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -31.882 12.686 20.075 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -30.714 12.014 21.195 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -30.264 14.857 20.296 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -31.601 14.575 21.393 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -29.717 13.075 22.663 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -28.647 14.209 21.863 1.00 0.00 H new ATOM 0 HE ARG A 121 -30.975 15.290 23.474 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -28.849 17.099 22.325 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -27.771 17.327 23.706 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -29.034 14.579 25.462 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -27.875 15.912 25.467 1.00 0.00 H new ATOM 339 N HIS A 122 -31.020 11.132 17.709 1.00 0.00 N ATOM 340 CA HIS A 122 -31.312 9.828 17.042 1.00 0.00 C ATOM 341 C HIS A 122 -30.055 9.350 16.292 1.00 0.00 C ATOM 342 O HIS A 122 -29.882 8.169 16.052 1.00 0.00 O ATOM 343 CB HIS A 122 -32.487 10.023 16.064 1.00 0.00 C ATOM 344 CG HIS A 122 -32.699 8.788 15.222 1.00 0.00 C ATOM 345 ND1 HIS A 122 -33.328 7.656 15.716 1.00 0.00 N ATOM 346 CD2 HIS A 122 -32.371 8.497 13.922 1.00 0.00 C ATOM 347 CE1 HIS A 122 -33.359 6.745 14.726 1.00 0.00 C ATOM 348 NE2 HIS A 122 -32.789 7.206 13.611 1.00 0.00 N ATOM 0 H HIS A 122 -31.573 11.921 17.374 1.00 0.00 H new ATOM 0 HA HIS A 122 -31.585 9.074 17.780 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -33.396 10.248 16.622 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -32.289 10.879 15.418 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -31.865 9.168 13.243 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -33.792 5.761 14.822 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -32.682 6.718 12.722 1.00 0.00 H new ATOM 356 N TYR A 123 -29.183 10.255 15.921 1.00 0.00 N ATOM 357 CA TYR A 123 -27.945 9.857 15.187 1.00 0.00 C ATOM 358 C TYR A 123 -26.896 9.360 16.186 1.00 0.00 C ATOM 359 O TYR A 123 -26.063 8.535 15.861 1.00 0.00 O ATOM 360 CB TYR A 123 -27.399 11.070 14.420 1.00 0.00 C ATOM 361 CG TYR A 123 -26.988 10.654 13.025 1.00 0.00 C ATOM 362 CD1 TYR A 123 -26.105 9.582 12.843 1.00 0.00 C ATOM 363 CD2 TYR A 123 -27.492 11.341 11.915 1.00 0.00 C ATOM 364 CE1 TYR A 123 -25.728 9.198 11.550 1.00 0.00 C ATOM 365 CE2 TYR A 123 -27.113 10.958 10.622 1.00 0.00 C ATOM 366 CZ TYR A 123 -26.232 9.886 10.440 1.00 0.00 C ATOM 367 OH TYR A 123 -25.859 9.507 9.167 1.00 0.00 O ATOM 0 H TYR A 123 -29.277 11.255 16.096 1.00 0.00 H new ATOM 0 HA TYR A 123 -28.176 9.057 14.483 1.00 0.00 H new ATOM 0 HB2 TYR A 123 -28.159 11.850 14.367 1.00 0.00 H new ATOM 0 HB3 TYR A 123 -26.545 11.492 14.950 1.00 0.00 H new ATOM 0 HD1 TYR A 123 -25.715 9.052 13.699 1.00 0.00 H new ATOM 0 HD2 TYR A 123 -28.174 12.167 12.055 1.00 0.00 H new ATOM 0 HE1 TYR A 123 -25.048 8.371 11.409 1.00 0.00 H new ATOM 0 HE2 TYR A 123 -27.501 11.490 9.766 1.00 0.00 H new ATOM 0 HH TYR A 123 -26.299 10.087 8.511 1.00 0.00 H new ATOM 377 N ARG A 124 -26.933 9.856 17.398 1.00 0.00 N ATOM 378 CA ARG A 124 -25.941 9.418 18.426 1.00 0.00 C ATOM 379 C ARG A 124 -26.069 7.908 18.662 1.00 0.00 C ATOM 380 O ARG A 124 -25.125 7.256 19.069 1.00 0.00 O ATOM 381 CB ARG A 124 -26.205 10.165 19.738 1.00 0.00 C ATOM 382 CG ARG A 124 -25.244 11.351 19.858 1.00 0.00 C ATOM 383 CD ARG A 124 -25.417 12.018 21.225 1.00 0.00 C ATOM 384 NE ARG A 124 -24.083 12.426 21.749 1.00 0.00 N ATOM 385 CZ ARG A 124 -23.820 12.310 23.022 1.00 0.00 C ATOM 386 NH1 ARG A 124 -23.777 11.128 23.574 1.00 0.00 N ATOM 387 NH2 ARG A 124 -23.599 13.374 23.743 1.00 0.00 N ATOM 0 H ARG A 124 -27.610 10.548 17.720 1.00 0.00 H new ATOM 0 HA ARG A 124 -24.934 9.641 18.074 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -27.237 10.516 19.767 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -26.074 9.491 20.584 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -24.215 11.012 19.735 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -25.439 12.071 19.064 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -26.067 12.888 21.138 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -25.898 11.329 21.920 1.00 0.00 H new ATOM 0 HE ARG A 124 -23.376 12.796 21.113 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -23.949 10.295 23.010 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -23.571 11.037 24.569 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -23.632 14.298 23.312 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -23.394 13.282 24.738 1.00 0.00 H new ATOM 401 N SER A 125 -27.228 7.348 18.411 1.00 0.00 N ATOM 402 CA SER A 125 -27.418 5.882 18.621 1.00 0.00 C ATOM 403 C SER A 125 -27.240 5.145 17.292 1.00 0.00 C ATOM 404 O SER A 125 -27.913 4.168 17.021 1.00 0.00 O ATOM 405 CB SER A 125 -28.825 5.625 19.161 1.00 0.00 C ATOM 406 OG SER A 125 -29.782 6.026 18.190 1.00 0.00 O ATOM 0 H SER A 125 -28.050 7.845 18.069 1.00 0.00 H new ATOM 0 HA SER A 125 -26.680 5.520 19.337 1.00 0.00 H new ATOM 0 HB2 SER A 125 -28.949 4.568 19.396 1.00 0.00 H new ATOM 0 HB3 SER A 125 -28.977 6.177 20.088 1.00 0.00 H new ATOM 0 HG SER A 125 -30.685 5.861 18.533 1.00 0.00 H new ATOM 412 N HIS A 126 -26.335 5.604 16.464 1.00 0.00 N ATOM 413 CA HIS A 126 -26.104 4.934 15.150 1.00 0.00 C ATOM 414 C HIS A 126 -24.600 4.817 14.894 1.00 0.00 C ATOM 415 O HIS A 126 -24.030 3.745 14.976 1.00 0.00 O ATOM 416 CB HIS A 126 -26.745 5.762 14.036 1.00 0.00 C ATOM 417 CG HIS A 126 -28.230 5.527 14.021 1.00 0.00 C ATOM 418 ND1 HIS A 126 -28.780 4.256 14.080 1.00 0.00 N ATOM 419 CD2 HIS A 126 -29.293 6.392 13.949 1.00 0.00 C ATOM 420 CE1 HIS A 126 -30.118 4.391 14.041 1.00 0.00 C ATOM 421 NE2 HIS A 126 -30.485 5.673 13.962 1.00 0.00 N ATOM 0 H HIS A 126 -25.745 6.417 16.643 1.00 0.00 H new ATOM 0 HA HIS A 126 -26.549 3.939 15.167 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -26.536 6.821 14.190 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -26.314 5.489 13.073 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -29.216 7.468 13.891 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -30.811 3.563 14.070 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -31.434 6.045 13.920 1.00 0.00 H new ATOM 508 N TYR A 132 -12.510 6.463 12.783 1.00 0.00 N ATOM 509 CA TYR A 132 -11.408 5.609 12.246 1.00 0.00 C ATOM 510 C TYR A 132 -11.303 4.321 13.092 1.00 0.00 C ATOM 511 O TYR A 132 -10.348 4.149 13.826 1.00 0.00 O ATOM 512 CB TYR A 132 -10.084 6.382 12.308 1.00 0.00 C ATOM 513 CG TYR A 132 -10.245 7.724 11.633 1.00 0.00 C ATOM 514 CD1 TYR A 132 -10.390 7.797 10.242 1.00 0.00 C ATOM 515 CD2 TYR A 132 -10.248 8.896 12.399 1.00 0.00 C ATOM 516 CE1 TYR A 132 -10.538 9.041 9.617 1.00 0.00 C ATOM 517 CE2 TYR A 132 -10.396 10.141 11.774 1.00 0.00 C ATOM 518 CZ TYR A 132 -10.541 10.213 10.384 1.00 0.00 C ATOM 519 OH TYR A 132 -10.687 11.439 9.768 1.00 0.00 O ATOM 0 HA TYR A 132 -11.619 5.345 11.210 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -9.781 6.520 13.346 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -9.295 5.811 11.819 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -10.388 6.893 9.651 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -10.136 8.840 13.472 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -10.650 9.097 8.544 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -10.398 11.045 12.365 1.00 0.00 H new ATOM 0 HH TYR A 132 -10.669 12.149 10.444 1.00 0.00 H new ATOM 529 N PRO A 133 -12.291 3.446 12.979 1.00 0.00 N ATOM 530 CA PRO A 133 -12.304 2.184 13.742 1.00 0.00 C ATOM 531 C PRO A 133 -11.373 1.150 13.100 1.00 0.00 C ATOM 532 O PRO A 133 -11.189 1.127 11.898 1.00 0.00 O ATOM 533 CB PRO A 133 -13.761 1.723 13.659 1.00 0.00 C ATOM 534 CG PRO A 133 -14.367 2.407 12.412 1.00 0.00 C ATOM 535 CD PRO A 133 -13.474 3.621 12.097 1.00 0.00 C ATOM 0 HA PRO A 133 -11.957 2.309 14.768 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -13.820 0.638 13.574 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -14.308 2.002 14.559 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -14.396 1.718 11.568 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -15.393 2.720 12.603 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -13.187 3.641 11.046 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -13.990 4.559 12.305 1.00 0.00 H new ATOM 543 N CYS A 134 -10.791 0.292 13.900 1.00 0.00 N ATOM 544 CA CYS A 134 -9.873 -0.751 13.356 1.00 0.00 C ATOM 545 C CYS A 134 -10.659 -1.701 12.450 1.00 0.00 C ATOM 546 O CYS A 134 -11.809 -2.007 12.708 1.00 0.00 O ATOM 547 CB CYS A 134 -9.264 -1.545 14.515 1.00 0.00 C ATOM 548 SG CYS A 134 -7.974 -2.648 13.885 1.00 0.00 S ATOM 0 H CYS A 134 -10.914 0.271 14.912 1.00 0.00 H new ATOM 0 HA CYS A 134 -9.080 -0.273 12.782 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -8.844 -0.863 15.255 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -10.038 -2.124 15.018 1.00 0.00 H new ATOM 0 HG CYS A 134 -6.830 -2.030 13.898 1.00 0.00 H new ATOM 553 N GLY A 135 -10.045 -2.171 11.392 1.00 0.00 N ATOM 554 CA GLY A 135 -10.751 -3.106 10.466 1.00 0.00 C ATOM 555 C GLY A 135 -10.349 -4.549 10.781 1.00 0.00 C ATOM 556 O GLY A 135 -10.423 -5.419 9.934 1.00 0.00 O ATOM 0 H GLY A 135 -9.085 -1.947 11.131 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -11.830 -2.989 10.569 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -10.501 -2.867 9.432 1.00 0.00 H new ATOM 560 N LEU A 136 -9.927 -4.812 11.995 1.00 0.00 N ATOM 561 CA LEU A 136 -9.519 -6.199 12.369 1.00 0.00 C ATOM 562 C LEU A 136 -10.243 -6.607 13.654 1.00 0.00 C ATOM 563 O LEU A 136 -10.765 -7.701 13.763 1.00 0.00 O ATOM 564 CB LEU A 136 -8.002 -6.251 12.602 1.00 0.00 C ATOM 565 CG LEU A 136 -7.265 -5.554 11.450 1.00 0.00 C ATOM 566 CD1 LEU A 136 -5.761 -5.542 11.740 1.00 0.00 C ATOM 567 CD2 LEU A 136 -7.529 -6.303 10.137 1.00 0.00 C ATOM 0 H LEU A 136 -9.848 -4.123 12.743 1.00 0.00 H new ATOM 0 HA LEU A 136 -9.782 -6.883 11.562 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -7.755 -5.767 13.547 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -7.674 -7.288 12.679 1.00 0.00 H new ATOM 0 HG LEU A 136 -7.626 -4.530 11.358 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -5.237 -5.047 10.922 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -5.574 -5.004 12.669 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -5.401 -6.566 11.835 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -7.004 -5.805 9.322 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -7.172 -7.329 10.225 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -8.599 -6.308 9.930 1.00 0.00 H new ATOM 579 N CYS A 137 -10.275 -5.731 14.625 1.00 0.00 N ATOM 580 CA CYS A 137 -10.961 -6.049 15.913 1.00 0.00 C ATOM 581 C CYS A 137 -12.142 -5.091 16.145 1.00 0.00 C ATOM 582 O CYS A 137 -12.924 -5.277 17.056 1.00 0.00 O ATOM 583 CB CYS A 137 -9.959 -5.907 17.060 1.00 0.00 C ATOM 584 SG CYS A 137 -9.243 -4.242 17.054 1.00 0.00 S ATOM 0 H CYS A 137 -9.853 -4.804 14.581 1.00 0.00 H new ATOM 0 HA CYS A 137 -11.342 -7.069 15.871 1.00 0.00 H new ATOM 0 HB2 CYS A 137 -10.455 -6.095 18.012 1.00 0.00 H new ATOM 0 HB3 CYS A 137 -9.170 -6.652 16.959 1.00 0.00 H new ATOM 0 HG CYS A 137 -8.769 -3.978 15.873 1.00 0.00 H new ATOM 589 N ASN A 138 -12.269 -4.066 15.332 1.00 0.00 N ATOM 590 CA ASN A 138 -13.389 -3.081 15.496 1.00 0.00 C ATOM 591 C ASN A 138 -13.126 -2.213 16.730 1.00 0.00 C ATOM 592 O ASN A 138 -13.793 -2.329 17.741 1.00 0.00 O ATOM 593 CB ASN A 138 -14.735 -3.806 15.645 1.00 0.00 C ATOM 594 CG ASN A 138 -15.844 -2.960 15.015 1.00 0.00 C ATOM 595 OD1 ASN A 138 -16.515 -2.212 15.697 1.00 0.00 O ATOM 596 ND2 ASN A 138 -16.066 -3.047 13.732 1.00 0.00 N ATOM 0 H ASN A 138 -11.639 -3.868 14.555 1.00 0.00 H new ATOM 0 HA ASN A 138 -13.436 -2.452 14.607 1.00 0.00 H new ATOM 0 HB2 ASN A 138 -14.689 -4.782 15.163 1.00 0.00 H new ATOM 0 HB3 ASN A 138 -14.951 -3.981 16.699 1.00 0.00 H new ATOM 0 HD21 ASN A 138 -16.803 -2.487 13.303 1.00 0.00 H new ATOM 0 HD22 ASN A 138 -15.503 -3.675 13.158 1.00 0.00 H new ATOM 603 N ARG A 139 -12.155 -1.340 16.643 1.00 0.00 N ATOM 604 CA ARG A 139 -11.830 -0.447 17.793 1.00 0.00 C ATOM 605 C ARG A 139 -12.270 0.981 17.460 1.00 0.00 C ATOM 606 O ARG A 139 -12.933 1.214 16.467 1.00 0.00 O ATOM 607 CB ARG A 139 -10.321 -0.481 18.046 1.00 0.00 C ATOM 608 CG ARG A 139 -9.996 -1.594 19.043 1.00 0.00 C ATOM 609 CD ARG A 139 -10.146 -1.062 20.469 1.00 0.00 C ATOM 610 NE ARG A 139 -9.360 -1.916 21.404 1.00 0.00 N ATOM 611 CZ ARG A 139 -8.609 -1.363 22.319 1.00 0.00 C ATOM 612 NH1 ARG A 139 -7.495 -0.775 21.981 1.00 0.00 N ATOM 613 NH2 ARG A 139 -8.976 -1.399 23.571 1.00 0.00 N ATOM 0 H ARG A 139 -11.570 -1.208 15.818 1.00 0.00 H new ATOM 0 HA ARG A 139 -12.352 -0.786 18.688 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -9.788 -0.650 17.110 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -9.985 0.480 18.435 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -10.663 -2.442 18.888 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -8.980 -1.955 18.883 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -9.798 -0.030 20.522 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -11.197 -1.059 20.759 1.00 0.00 H new ATOM 0 HE ARG A 139 -9.408 -2.932 21.330 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -7.210 -0.747 21.002 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -6.909 -0.343 22.696 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -9.848 -1.858 23.834 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -8.391 -0.968 24.287 1.00 0.00 H new ATOM 627 N ALA A 140 -11.912 1.938 18.282 1.00 0.00 N ATOM 628 CA ALA A 140 -12.318 3.349 18.012 1.00 0.00 C ATOM 629 C ALA A 140 -11.121 4.285 18.212 1.00 0.00 C ATOM 630 O ALA A 140 -10.498 4.296 19.257 1.00 0.00 O ATOM 631 CB ALA A 140 -13.445 3.744 18.972 1.00 0.00 C ATOM 0 H ALA A 140 -11.357 1.801 19.127 1.00 0.00 H new ATOM 0 HA ALA A 140 -12.666 3.433 16.983 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -13.744 4.774 18.778 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -14.299 3.084 18.822 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -13.095 3.656 20.000 1.00 0.00 H new ATOM 637 N PHE A 141 -10.805 5.076 17.218 1.00 0.00 N ATOM 638 CA PHE A 141 -9.657 6.025 17.337 1.00 0.00 C ATOM 639 C PHE A 141 -10.046 7.367 16.713 1.00 0.00 C ATOM 640 O PHE A 141 -10.683 7.416 15.678 1.00 0.00 O ATOM 641 CB PHE A 141 -8.438 5.460 16.604 1.00 0.00 C ATOM 642 CG PHE A 141 -8.149 4.065 17.102 1.00 0.00 C ATOM 643 CD1 PHE A 141 -7.393 3.880 18.265 1.00 0.00 C ATOM 644 CD2 PHE A 141 -8.636 2.957 16.398 1.00 0.00 C ATOM 645 CE1 PHE A 141 -7.124 2.585 18.726 1.00 0.00 C ATOM 646 CE2 PHE A 141 -8.367 1.664 16.860 1.00 0.00 C ATOM 647 CZ PHE A 141 -7.611 1.477 18.023 1.00 0.00 C ATOM 0 H PHE A 141 -11.296 5.105 16.324 1.00 0.00 H new ATOM 0 HA PHE A 141 -9.411 6.164 18.390 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -8.623 5.442 15.530 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -7.573 6.102 16.768 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -7.017 4.735 18.807 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -9.218 3.100 15.500 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -6.541 2.441 19.624 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -8.743 0.809 16.318 1.00 0.00 H new ATOM 0 HZ PHE A 141 -7.404 0.478 18.378 1.00 0.00 H new ATOM 657 N THR A 142 -9.672 8.454 17.339 1.00 0.00 N ATOM 658 CA THR A 142 -10.023 9.798 16.791 1.00 0.00 C ATOM 659 C THR A 142 -8.923 10.274 15.838 1.00 0.00 C ATOM 660 O THR A 142 -9.177 11.030 14.917 1.00 0.00 O ATOM 661 CB THR A 142 -10.163 10.797 17.943 1.00 0.00 C ATOM 662 OG1 THR A 142 -10.563 10.109 19.121 1.00 0.00 O ATOM 663 CG2 THR A 142 -11.214 11.849 17.583 1.00 0.00 C ATOM 0 H THR A 142 -9.138 8.468 18.208 1.00 0.00 H new ATOM 0 HA THR A 142 -10.965 9.729 16.248 1.00 0.00 H new ATOM 0 HB THR A 142 -9.205 11.287 18.117 1.00 0.00 H new ATOM 0 HG1 THR A 142 -10.651 10.748 19.859 1.00 0.00 H new ATOM 0 HG21 THR A 142 -11.313 12.560 18.403 1.00 0.00 H new ATOM 0 HG22 THR A 142 -10.906 12.377 16.681 1.00 0.00 H new ATOM 0 HG23 THR A 142 -12.173 11.361 17.408 1.00 0.00 H new ATOM 671 N ARG A 143 -7.707 9.844 16.054 1.00 0.00 N ATOM 672 CA ARG A 143 -6.587 10.275 15.164 1.00 0.00 C ATOM 673 C ARG A 143 -6.292 9.183 14.135 1.00 0.00 C ATOM 674 O ARG A 143 -6.404 8.004 14.416 1.00 0.00 O ATOM 675 CB ARG A 143 -5.335 10.528 16.008 1.00 0.00 C ATOM 676 CG ARG A 143 -5.581 11.711 16.946 1.00 0.00 C ATOM 677 CD ARG A 143 -4.260 12.430 17.218 1.00 0.00 C ATOM 678 NE ARG A 143 -4.057 13.498 16.201 1.00 0.00 N ATOM 679 CZ ARG A 143 -3.437 14.600 16.526 1.00 0.00 C ATOM 680 NH1 ARG A 143 -3.918 15.365 17.468 1.00 0.00 N ATOM 681 NH2 ARG A 143 -2.336 14.936 15.911 1.00 0.00 N ATOM 0 H ARG A 143 -7.441 9.212 16.809 1.00 0.00 H new ATOM 0 HA ARG A 143 -6.872 11.190 14.646 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -5.087 9.638 16.586 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -4.483 10.735 15.360 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -6.297 12.400 16.499 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -6.017 11.362 17.882 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -4.269 12.863 18.218 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -3.434 11.720 17.185 1.00 0.00 H new ATOM 0 HE ARG A 143 -4.402 13.369 15.250 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -4.778 15.102 17.950 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -3.434 16.226 17.722 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -1.959 14.337 15.176 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -1.852 15.797 16.165 1.00 0.00 H new ATOM 695 N ARG A 144 -5.910 9.570 12.943 1.00 0.00 N ATOM 696 CA ARG A 144 -5.599 8.566 11.886 1.00 0.00 C ATOM 697 C ARG A 144 -4.291 7.854 12.238 1.00 0.00 C ATOM 698 O ARG A 144 -4.173 6.651 12.100 1.00 0.00 O ATOM 699 CB ARG A 144 -5.449 9.275 10.537 1.00 0.00 C ATOM 700 CG ARG A 144 -5.284 8.235 9.427 1.00 0.00 C ATOM 701 CD ARG A 144 -4.352 8.787 8.347 1.00 0.00 C ATOM 702 NE ARG A 144 -2.968 8.885 8.889 1.00 0.00 N ATOM 703 CZ ARG A 144 -2.127 9.741 8.378 1.00 0.00 C ATOM 704 NH1 ARG A 144 -2.489 10.981 8.191 1.00 0.00 N ATOM 705 NH2 ARG A 144 -0.922 9.358 8.054 1.00 0.00 N ATOM 0 H ARG A 144 -5.801 10.543 12.658 1.00 0.00 H new ATOM 0 HA ARG A 144 -6.407 7.837 11.823 1.00 0.00 H new ATOM 0 HB2 ARG A 144 -6.324 9.895 10.341 1.00 0.00 H new ATOM 0 HB3 ARG A 144 -4.585 9.940 10.558 1.00 0.00 H new ATOM 0 HG2 ARG A 144 -4.876 7.311 9.837 1.00 0.00 H new ATOM 0 HG3 ARG A 144 -6.255 7.991 8.995 1.00 0.00 H new ATOM 0 HD2 ARG A 144 -4.366 8.137 7.472 1.00 0.00 H new ATOM 0 HD3 ARG A 144 -4.697 9.768 8.021 1.00 0.00 H new ATOM 0 HE ARG A 144 -2.678 8.283 9.660 1.00 0.00 H new ATOM 0 HH11 ARG A 144 -3.430 11.281 8.445 1.00 0.00 H new ATOM 0 HH12 ARG A 144 -1.831 11.650 7.791 1.00 0.00 H new ATOM 0 HH21 ARG A 144 -0.638 8.389 8.200 1.00 0.00 H new ATOM 0 HH22 ARG A 144 -0.264 10.027 7.654 1.00 0.00 H new ATOM 719 N ASP A 145 -3.312 8.592 12.699 1.00 0.00 N ATOM 720 CA ASP A 145 -2.007 7.969 13.073 1.00 0.00 C ATOM 721 C ASP A 145 -2.227 6.981 14.221 1.00 0.00 C ATOM 722 O ASP A 145 -1.516 6.005 14.356 1.00 0.00 O ATOM 723 CB ASP A 145 -1.029 9.059 13.517 1.00 0.00 C ATOM 724 CG ASP A 145 -1.666 9.897 14.628 1.00 0.00 C ATOM 725 OD1 ASP A 145 -1.705 9.423 15.751 1.00 0.00 O ATOM 726 OD2 ASP A 145 -2.105 10.997 14.335 1.00 0.00 O ATOM 0 H ASP A 145 -3.362 9.602 12.832 1.00 0.00 H new ATOM 0 HA ASP A 145 -1.595 7.442 12.213 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -0.103 8.608 13.873 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -0.769 9.695 12.671 1.00 0.00 H new ATOM 731 N LEU A 146 -3.211 7.232 15.048 1.00 0.00 N ATOM 732 CA LEU A 146 -3.493 6.315 16.192 1.00 0.00 C ATOM 733 C LEU A 146 -3.879 4.935 15.661 1.00 0.00 C ATOM 734 O LEU A 146 -3.335 3.927 16.070 1.00 0.00 O ATOM 735 CB LEU A 146 -4.653 6.876 17.015 1.00 0.00 C ATOM 736 CG LEU A 146 -4.114 7.790 18.116 1.00 0.00 C ATOM 737 CD1 LEU A 146 -5.286 8.445 18.849 1.00 0.00 C ATOM 738 CD2 LEU A 146 -3.292 6.964 19.109 1.00 0.00 C ATOM 0 H LEU A 146 -3.833 8.037 14.978 1.00 0.00 H new ATOM 0 HA LEU A 146 -2.603 6.230 16.815 1.00 0.00 H new ATOM 0 HB2 LEU A 146 -5.333 7.431 16.370 1.00 0.00 H new ATOM 0 HB3 LEU A 146 -5.226 6.060 17.455 1.00 0.00 H new ATOM 0 HG LEU A 146 -3.482 8.560 17.673 1.00 0.00 H new ATOM 0 HD11 LEU A 146 -4.905 9.097 19.635 1.00 0.00 H new ATOM 0 HD12 LEU A 146 -5.874 9.032 18.143 1.00 0.00 H new ATOM 0 HD13 LEU A 146 -5.915 7.673 19.292 1.00 0.00 H new ATOM 0 HD21 LEU A 146 -2.908 7.616 19.894 1.00 0.00 H new ATOM 0 HD22 LEU A 146 -3.924 6.195 19.553 1.00 0.00 H new ATOM 0 HD23 LEU A 146 -2.458 6.493 18.588 1.00 0.00 H new ATOM 750 N LEU A 147 -4.824 4.885 14.756 1.00 0.00 N ATOM 751 CA LEU A 147 -5.271 3.576 14.191 1.00 0.00 C ATOM 752 C LEU A 147 -4.084 2.838 13.561 1.00 0.00 C ATOM 753 O LEU A 147 -3.994 1.626 13.631 1.00 0.00 O ATOM 754 CB LEU A 147 -6.342 3.823 13.124 1.00 0.00 C ATOM 755 CG LEU A 147 -7.264 2.606 13.033 1.00 0.00 C ATOM 756 CD1 LEU A 147 -8.436 2.921 12.102 1.00 0.00 C ATOM 757 CD2 LEU A 147 -6.483 1.413 12.477 1.00 0.00 C ATOM 0 H LEU A 147 -5.308 5.701 14.382 1.00 0.00 H new ATOM 0 HA LEU A 147 -5.683 2.964 14.994 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -6.920 4.713 13.374 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -5.872 4.009 12.158 1.00 0.00 H new ATOM 0 HG LEU A 147 -7.642 2.364 14.026 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -9.093 2.053 12.037 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -8.995 3.771 12.495 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -8.057 3.164 11.109 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -7.140 0.546 12.412 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -6.105 1.657 11.484 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -5.647 1.186 13.138 1.00 0.00 H new ATOM 769 N ILE A 148 -3.175 3.556 12.947 1.00 0.00 N ATOM 770 CA ILE A 148 -1.998 2.890 12.315 1.00 0.00 C ATOM 771 C ILE A 148 -1.114 2.280 13.405 1.00 0.00 C ATOM 772 O ILE A 148 -0.545 1.223 13.227 1.00 0.00 O ATOM 773 CB ILE A 148 -1.189 3.910 11.509 1.00 0.00 C ATOM 774 CG1 ILE A 148 -2.104 4.595 10.490 1.00 0.00 C ATOM 775 CG2 ILE A 148 -0.056 3.191 10.770 1.00 0.00 C ATOM 776 CD1 ILE A 148 -1.336 5.715 9.785 1.00 0.00 C ATOM 0 H ILE A 148 -3.199 4.572 12.857 1.00 0.00 H new ATOM 0 HA ILE A 148 -2.347 2.105 11.645 1.00 0.00 H new ATOM 0 HB ILE A 148 -0.770 4.657 12.183 1.00 0.00 H new ATOM 0 HG12 ILE A 148 -2.460 3.869 9.760 1.00 0.00 H new ATOM 0 HG13 ILE A 148 -2.983 5.002 10.990 1.00 0.00 H new ATOM 0 HG21 ILE A 148 0.521 3.916 10.196 1.00 0.00 H new ATOM 0 HG22 ILE A 148 0.595 2.699 11.493 1.00 0.00 H new ATOM 0 HG23 ILE A 148 -0.477 2.446 10.095 1.00 0.00 H new ATOM 0 HD11 ILE A 148 -1.988 6.202 9.060 1.00 0.00 H new ATOM 0 HD12 ILE A 148 -1.002 6.446 10.521 1.00 0.00 H new ATOM 0 HD13 ILE A 148 -0.471 5.296 9.271 1.00 0.00 H new ATOM 788 N ARG A 149 -0.998 2.938 14.529 1.00 0.00 N ATOM 789 CA ARG A 149 -0.155 2.396 15.636 1.00 0.00 C ATOM 790 C ARG A 149 -0.885 1.233 16.324 1.00 0.00 C ATOM 791 O ARG A 149 -0.274 0.414 16.983 1.00 0.00 O ATOM 792 CB ARG A 149 0.115 3.508 16.655 1.00 0.00 C ATOM 793 CG ARG A 149 1.078 3.000 17.735 1.00 0.00 C ATOM 794 CD ARG A 149 0.286 2.609 18.987 1.00 0.00 C ATOM 795 NE ARG A 149 1.168 2.706 20.183 1.00 0.00 N ATOM 796 CZ ARG A 149 0.666 3.045 21.339 1.00 0.00 C ATOM 797 NH1 ARG A 149 -0.120 4.084 21.429 1.00 0.00 N ATOM 798 NH2 ARG A 149 0.948 2.346 22.403 1.00 0.00 N ATOM 0 H ARG A 149 -1.452 3.829 14.728 1.00 0.00 H new ATOM 0 HA ARG A 149 0.789 2.034 15.230 1.00 0.00 H new ATOM 0 HB2 ARG A 149 0.541 4.377 16.154 1.00 0.00 H new ATOM 0 HB3 ARG A 149 -0.821 3.831 17.112 1.00 0.00 H new ATOM 0 HG2 ARG A 149 1.637 2.141 17.363 1.00 0.00 H new ATOM 0 HG3 ARG A 149 1.806 3.773 17.980 1.00 0.00 H new ATOM 0 HD2 ARG A 149 -0.577 3.265 19.104 1.00 0.00 H new ATOM 0 HD3 ARG A 149 -0.097 1.594 18.886 1.00 0.00 H new ATOM 0 HE ARG A 149 2.165 2.507 20.099 1.00 0.00 H new ATOM 0 HH11 ARG A 149 -0.341 4.630 20.596 1.00 0.00 H new ATOM 0 HH12 ARG A 149 -0.513 4.350 22.332 1.00 0.00 H new ATOM 0 HH21 ARG A 149 1.561 1.534 22.332 1.00 0.00 H new ATOM 0 HH22 ARG A 149 0.555 2.611 23.306 1.00 0.00 H new ATOM 812 N HIS A 150 -2.185 1.160 16.177 1.00 0.00 N ATOM 813 CA HIS A 150 -2.963 0.061 16.819 1.00 0.00 C ATOM 814 C HIS A 150 -2.685 -1.266 16.090 1.00 0.00 C ATOM 815 O HIS A 150 -2.439 -2.281 16.714 1.00 0.00 O ATOM 816 CB HIS A 150 -4.460 0.421 16.746 1.00 0.00 C ATOM 817 CG HIS A 150 -5.323 -0.748 17.158 1.00 0.00 C ATOM 818 ND1 HIS A 150 -5.070 -1.496 18.297 1.00 0.00 N ATOM 819 CD2 HIS A 150 -6.429 -1.311 16.576 1.00 0.00 C ATOM 820 CE1 HIS A 150 -6.006 -2.462 18.361 1.00 0.00 C ATOM 821 NE2 HIS A 150 -6.860 -2.395 17.336 1.00 0.00 N ATOM 0 H HIS A 150 -2.742 1.821 15.635 1.00 0.00 H new ATOM 0 HA HIS A 150 -2.668 -0.058 17.862 1.00 0.00 H new ATOM 0 HB2 HIS A 150 -4.664 1.273 17.394 1.00 0.00 H new ATOM 0 HB3 HIS A 150 -4.715 0.725 15.731 1.00 0.00 H new ATOM 0 HD2 HIS A 150 -6.896 -0.966 15.665 1.00 0.00 H new ATOM 0 HE1 HIS A 150 -6.060 -3.202 19.146 1.00 0.00 H new ATOM 0 HE2 HIS A 150 -7.656 -3.006 17.150 1.00 0.00 H new ATOM 829 N ALA A 151 -2.741 -1.267 14.782 1.00 0.00 N ATOM 830 CA ALA A 151 -2.499 -2.530 14.019 1.00 0.00 C ATOM 831 C ALA A 151 -1.000 -2.839 13.966 1.00 0.00 C ATOM 832 O ALA A 151 -0.596 -3.982 14.034 1.00 0.00 O ATOM 833 CB ALA A 151 -3.040 -2.379 12.595 1.00 0.00 C ATOM 0 H ALA A 151 -2.944 -0.448 14.209 1.00 0.00 H new ATOM 0 HA ALA A 151 -3.012 -3.350 14.522 1.00 0.00 H new ATOM 0 HB1 ALA A 151 -2.863 -3.300 12.039 1.00 0.00 H new ATOM 0 HB2 ALA A 151 -4.110 -2.177 12.632 1.00 0.00 H new ATOM 0 HB3 ALA A 151 -2.532 -1.552 12.098 1.00 0.00 H new ATOM 839 N GLN A 152 -0.177 -1.831 13.834 1.00 0.00 N ATOM 840 CA GLN A 152 1.297 -2.062 13.763 1.00 0.00 C ATOM 841 C GLN A 152 1.847 -2.491 15.132 1.00 0.00 C ATOM 842 O GLN A 152 2.951 -2.995 15.224 1.00 0.00 O ATOM 843 CB GLN A 152 1.990 -0.769 13.330 1.00 0.00 C ATOM 844 CG GLN A 152 1.393 -0.275 12.008 1.00 0.00 C ATOM 845 CD GLN A 152 2.307 -0.675 10.848 1.00 0.00 C ATOM 846 OE1 GLN A 152 1.917 -1.437 9.986 1.00 0.00 O ATOM 847 NE2 GLN A 152 3.517 -0.188 10.789 1.00 0.00 N ATOM 0 H GLN A 152 -0.464 -0.854 13.772 1.00 0.00 H new ATOM 0 HA GLN A 152 1.491 -2.856 13.041 1.00 0.00 H new ATOM 0 HB2 GLN A 152 1.871 -0.007 14.100 1.00 0.00 H new ATOM 0 HB3 GLN A 152 3.060 -0.941 13.214 1.00 0.00 H new ATOM 0 HG2 GLN A 152 0.400 -0.701 11.865 1.00 0.00 H new ATOM 0 HG3 GLN A 152 1.275 0.808 12.034 1.00 0.00 H new ATOM 0 HE21 GLN A 152 3.845 0.452 11.512 1.00 0.00 H new ATOM 0 HE22 GLN A 152 4.134 -0.447 10.019 1.00 0.00 H new ATOM 856 N LYS A 153 1.104 -2.285 16.194 1.00 0.00 N ATOM 857 CA LYS A 153 1.608 -2.669 17.548 1.00 0.00 C ATOM 858 C LYS A 153 1.077 -4.050 17.946 1.00 0.00 C ATOM 859 O LYS A 153 1.804 -4.868 18.478 1.00 0.00 O ATOM 860 CB LYS A 153 1.144 -1.634 18.574 1.00 0.00 C ATOM 861 CG LYS A 153 2.040 -0.398 18.493 1.00 0.00 C ATOM 862 CD LYS A 153 3.368 -0.683 19.197 1.00 0.00 C ATOM 863 CE LYS A 153 4.376 0.414 18.851 1.00 0.00 C ATOM 864 NZ LYS A 153 5.343 0.573 19.974 1.00 0.00 N ATOM 0 H LYS A 153 0.173 -1.869 16.180 1.00 0.00 H new ATOM 0 HA LYS A 153 2.697 -2.705 17.521 1.00 0.00 H new ATOM 0 HB2 LYS A 153 0.107 -1.357 18.384 1.00 0.00 H new ATOM 0 HB3 LYS A 153 1.182 -2.059 19.577 1.00 0.00 H new ATOM 0 HG2 LYS A 153 2.218 -0.133 17.451 1.00 0.00 H new ATOM 0 HG3 LYS A 153 1.545 0.454 18.959 1.00 0.00 H new ATOM 0 HD2 LYS A 153 3.218 -0.726 20.276 1.00 0.00 H new ATOM 0 HD3 LYS A 153 3.753 -1.655 18.890 1.00 0.00 H new ATOM 0 HE2 LYS A 153 4.907 0.159 17.934 1.00 0.00 H new ATOM 0 HE3 LYS A 153 3.857 1.355 18.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 6.028 1.319 19.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 4.830 0.835 20.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 5.847 -0.324 20.128 1.00 0.00 H new ATOM 878 N ILE A 154 -0.183 -4.308 17.709 1.00 0.00 N ATOM 879 CA ILE A 154 -0.763 -5.632 18.091 1.00 0.00 C ATOM 880 C ILE A 154 -0.948 -6.505 16.847 1.00 0.00 C ATOM 881 O ILE A 154 -0.503 -7.637 16.806 1.00 0.00 O ATOM 882 CB ILE A 154 -2.119 -5.414 18.766 1.00 0.00 C ATOM 883 CG1 ILE A 154 -1.958 -4.430 19.929 1.00 0.00 C ATOM 884 CG2 ILE A 154 -2.647 -6.747 19.301 1.00 0.00 C ATOM 885 CD1 ILE A 154 -2.236 -3.007 19.438 1.00 0.00 C ATOM 0 H ILE A 154 -0.836 -3.660 17.268 1.00 0.00 H new ATOM 0 HA ILE A 154 -0.083 -6.135 18.779 1.00 0.00 H new ATOM 0 HB ILE A 154 -2.823 -5.010 18.039 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -2.645 -4.688 20.735 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -0.949 -4.495 20.337 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -3.613 -6.589 19.781 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -2.762 -7.450 18.476 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -1.942 -7.152 20.027 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -2.121 -2.307 20.266 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -1.532 -2.751 18.647 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -3.253 -2.948 19.051 1.00 0.00 H new ATOM 897 N HIS A 155 -1.609 -5.992 15.842 1.00 0.00 N ATOM 898 CA HIS A 155 -1.839 -6.791 14.602 1.00 0.00 C ATOM 899 C HIS A 155 -0.527 -6.978 13.820 1.00 0.00 C ATOM 900 O HIS A 155 -0.480 -7.732 12.867 1.00 0.00 O ATOM 901 CB HIS A 155 -2.859 -6.069 13.720 1.00 0.00 C ATOM 902 CG HIS A 155 -4.156 -5.934 14.470 1.00 0.00 C ATOM 903 ND1 HIS A 155 -4.704 -6.984 15.192 1.00 0.00 N ATOM 904 CD2 HIS A 155 -5.025 -4.882 14.622 1.00 0.00 C ATOM 905 CE1 HIS A 155 -5.850 -6.543 15.741 1.00 0.00 C ATOM 906 NE2 HIS A 155 -6.093 -5.269 15.425 1.00 0.00 N ATOM 0 H HIS A 155 -2.001 -5.050 15.827 1.00 0.00 H new ATOM 0 HA HIS A 155 -2.216 -7.774 14.884 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -2.483 -5.085 13.440 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -3.016 -6.625 12.796 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -4.899 -3.903 14.185 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -6.495 -7.146 16.362 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -6.891 -4.701 15.711 1.00 0.00 H new