USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 397 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 134 CYS SG : rot 80:sc= 0.976 USER MOD Set 1.2: A 137 CYS SG : rot -67:sc= -0.43 USER MOD Set 1.3: A 150 HIS : no HD1:sc= 0.774 K(o=-2,f=-14!) USER MOD Set 1.4: A 155 HIS : no HE2:sc= -3.37 X(o=-2,f=-2.1) USER MOD Set 2.1: A 106 CYS SG : rot 110:sc= -0.0573 USER MOD Set 2.2: A 109 CYS SG : rot 159:sc= -0.583 USER MOD Set 2.3: A 122 HIS : no HD1:sc= -0.921 K(o=-2.8,f=-19!) USER MOD Set 2.4: A 126 HIS : no HD1:sc= -1.29 K(o=-2.8,f=-17!) USER MOD Single : A 110 THR OG1 : rot 4:sc= 0.353 USER MOD Single : A 116 GLN : amide:sc= -0.011 X(o=-0.011,f=-0.43) USER MOD Single : A 118 HIS : no HD1:sc= -0.936 K(o=-0.94,f=-2!) 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 180:sc= 0.025 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 USER MOD Single : A 152 GLN : amide:sc= -0.0238 K(o=-0.024,f=-1.1) USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 36 N PHE A 104 -29.350 9.921 35.472 1.00 0.00 N ATOM 37 CA PHE A 104 -28.092 9.606 34.737 1.00 0.00 C ATOM 38 C PHE A 104 -27.720 10.793 33.848 1.00 0.00 C ATOM 39 O PHE A 104 -27.749 10.718 32.633 1.00 0.00 O ATOM 40 CB PHE A 104 -28.292 8.358 33.879 1.00 0.00 C ATOM 41 CG PHE A 104 -28.574 7.172 34.771 1.00 0.00 C ATOM 42 CD1 PHE A 104 -29.873 6.941 35.240 1.00 0.00 C ATOM 43 CD2 PHE A 104 -27.535 6.305 35.131 1.00 0.00 C ATOM 44 CE1 PHE A 104 -30.132 5.843 36.068 1.00 0.00 C ATOM 45 CE2 PHE A 104 -27.795 5.208 35.959 1.00 0.00 C ATOM 46 CZ PHE A 104 -29.094 4.976 36.428 1.00 0.00 C ATOM 0 HA PHE A 104 -27.289 9.419 35.450 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -29.119 8.509 33.185 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -27.402 8.171 33.278 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -30.674 7.610 34.963 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -26.533 6.483 34.769 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -31.134 5.664 36.430 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -26.994 4.540 36.237 1.00 0.00 H new ATOM 0 HZ PHE A 104 -29.295 4.129 37.067 1.00 0.00 H new ATOM 56 N VAL A 105 -27.372 11.889 34.458 1.00 0.00 N ATOM 57 CA VAL A 105 -26.991 13.109 33.683 1.00 0.00 C ATOM 58 C VAL A 105 -25.587 12.912 33.101 1.00 0.00 C ATOM 59 O VAL A 105 -24.667 12.515 33.790 1.00 0.00 O ATOM 60 CB VAL A 105 -27.032 14.351 34.609 1.00 0.00 C ATOM 61 CG1 VAL A 105 -26.306 14.054 35.924 1.00 0.00 C ATOM 62 CG2 VAL A 105 -26.369 15.563 33.933 1.00 0.00 C ATOM 0 H VAL A 105 -27.334 11.997 35.472 1.00 0.00 H new ATOM 0 HA VAL A 105 -27.695 13.268 32.866 1.00 0.00 H new ATOM 0 HB VAL A 105 -28.078 14.584 34.809 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -26.342 14.934 36.566 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -26.792 13.218 36.427 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -25.267 13.798 35.716 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -26.411 16.421 34.603 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -25.329 15.329 33.707 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -26.897 15.798 33.009 1.00 0.00 H new ATOM 72 N CYS A 106 -25.427 13.200 31.836 1.00 0.00 N ATOM 73 CA CYS A 106 -24.091 13.047 31.192 1.00 0.00 C ATOM 74 C CYS A 106 -23.119 14.043 31.826 1.00 0.00 C ATOM 75 O CYS A 106 -23.488 15.153 32.160 1.00 0.00 O ATOM 76 CB CYS A 106 -24.212 13.332 29.694 1.00 0.00 C ATOM 77 SG CYS A 106 -22.646 12.941 28.876 1.00 0.00 S ATOM 0 H CYS A 106 -26.167 13.536 31.220 1.00 0.00 H new ATOM 0 HA CYS A 106 -23.724 12.031 31.336 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -25.018 12.737 29.264 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -24.468 14.379 29.532 1.00 0.00 H new ATOM 0 HG CYS A 106 -22.795 11.882 28.137 1.00 0.00 H new ATOM 82 N GLU A 107 -21.881 13.654 31.997 1.00 0.00 N ATOM 83 CA GLU A 107 -20.878 14.575 32.614 1.00 0.00 C ATOM 84 C GLU A 107 -20.159 15.387 31.528 1.00 0.00 C ATOM 85 O GLU A 107 -18.982 15.675 31.645 1.00 0.00 O ATOM 86 CB GLU A 107 -19.853 13.754 33.397 1.00 0.00 C ATOM 87 CG GLU A 107 -20.514 13.174 34.649 1.00 0.00 C ATOM 88 CD GLU A 107 -19.447 12.894 35.708 1.00 0.00 C ATOM 89 OE1 GLU A 107 -19.147 13.798 36.471 1.00 0.00 O ATOM 90 OE2 GLU A 107 -18.947 11.782 35.738 1.00 0.00 O ATOM 0 H GLU A 107 -21.521 12.736 31.735 1.00 0.00 H new ATOM 0 HA GLU A 107 -21.394 15.263 33.284 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -19.462 12.950 32.773 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -19.006 14.381 33.677 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -21.254 13.873 35.039 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -21.044 12.255 34.400 1.00 0.00 H new ATOM 97 N VAL A 108 -20.850 15.758 30.477 1.00 0.00 N ATOM 98 CA VAL A 108 -20.198 16.549 29.393 1.00 0.00 C ATOM 99 C VAL A 108 -21.112 17.702 28.975 1.00 0.00 C ATOM 100 O VAL A 108 -20.682 18.835 28.871 1.00 0.00 O ATOM 101 CB VAL A 108 -19.933 15.645 28.186 1.00 0.00 C ATOM 102 CG1 VAL A 108 -19.087 16.397 27.157 1.00 0.00 C ATOM 103 CG2 VAL A 108 -19.183 14.391 28.641 1.00 0.00 C ATOM 0 H VAL A 108 -21.836 15.546 30.326 1.00 0.00 H new ATOM 0 HA VAL A 108 -19.254 16.951 29.760 1.00 0.00 H new ATOM 0 HB VAL A 108 -20.883 15.358 27.735 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -18.900 15.752 26.299 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -19.620 17.290 26.830 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -18.138 16.686 27.608 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -18.995 13.748 27.781 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -18.234 14.679 29.094 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -19.785 13.852 29.372 1.00 0.00 H new ATOM 113 N CYS A 109 -22.368 17.421 28.739 1.00 0.00 N ATOM 114 CA CYS A 109 -23.313 18.501 28.328 1.00 0.00 C ATOM 115 C CYS A 109 -24.375 18.726 29.413 1.00 0.00 C ATOM 116 O CYS A 109 -25.371 19.379 29.175 1.00 0.00 O ATOM 117 CB CYS A 109 -23.997 18.114 27.013 1.00 0.00 C ATOM 118 SG CYS A 109 -24.796 16.499 27.189 1.00 0.00 S ATOM 0 H CYS A 109 -22.779 16.491 28.813 1.00 0.00 H new ATOM 0 HA CYS A 109 -22.750 19.424 28.190 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -24.736 18.868 26.741 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -23.264 18.081 26.207 1.00 0.00 H new ATOM 0 HG CYS A 109 -25.718 16.370 26.282 1.00 0.00 H new ATOM 123 N THR A 110 -24.171 18.196 30.602 1.00 0.00 N ATOM 124 CA THR A 110 -25.168 18.385 31.712 1.00 0.00 C ATOM 125 C THR A 110 -26.587 18.049 31.219 1.00 0.00 C ATOM 126 O THR A 110 -27.512 18.825 31.377 1.00 0.00 O ATOM 127 CB THR A 110 -25.126 19.837 32.212 1.00 0.00 C ATOM 128 OG1 THR A 110 -25.701 20.695 31.237 1.00 0.00 O ATOM 129 CG2 THR A 110 -23.676 20.255 32.472 1.00 0.00 C ATOM 0 H THR A 110 -23.354 17.639 30.851 1.00 0.00 H new ATOM 0 HA THR A 110 -24.909 17.713 32.531 1.00 0.00 H new ATOM 0 HB THR A 110 -25.693 19.912 33.140 1.00 0.00 H new ATOM 0 HG1 THR A 110 -26.054 20.159 30.497 1.00 0.00 H new ATOM 0 HG21 THR A 110 -23.652 21.286 32.826 1.00 0.00 H new ATOM 0 HG22 THR A 110 -23.239 19.602 33.227 1.00 0.00 H new ATOM 0 HG23 THR A 110 -23.103 20.176 31.548 1.00 0.00 H new ATOM 137 N ARG A 111 -26.756 16.898 30.620 1.00 0.00 N ATOM 138 CA ARG A 111 -28.101 16.503 30.106 1.00 0.00 C ATOM 139 C ARG A 111 -28.900 15.844 31.232 1.00 0.00 C ATOM 140 O ARG A 111 -28.572 15.981 32.394 1.00 0.00 O ATOM 141 CB ARG A 111 -27.932 15.515 28.945 1.00 0.00 C ATOM 142 CG ARG A 111 -28.978 15.807 27.865 1.00 0.00 C ATOM 143 CD ARG A 111 -28.416 16.825 26.872 1.00 0.00 C ATOM 144 NE ARG A 111 -29.519 17.691 26.369 1.00 0.00 N ATOM 145 CZ ARG A 111 -29.255 18.686 25.567 1.00 0.00 C ATOM 146 NH1 ARG A 111 -28.411 19.611 25.931 1.00 0.00 N ATOM 147 NH2 ARG A 111 -29.835 18.754 24.400 1.00 0.00 N ATOM 0 H ARG A 111 -26.017 16.212 30.464 1.00 0.00 H new ATOM 0 HA ARG A 111 -28.634 17.386 29.754 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -26.929 15.599 28.526 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -28.043 14.492 29.306 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -29.247 14.887 27.346 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -29.889 16.193 28.321 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -27.652 17.435 27.354 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -27.936 16.310 26.040 1.00 0.00 H new ATOM 0 HE ARG A 111 -30.481 17.506 26.652 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -27.957 19.557 26.843 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -28.205 20.389 25.304 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -30.494 18.030 24.115 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -29.629 19.531 23.773 1.00 0.00 H new ATOM 161 N ALA A 112 -29.948 15.135 30.899 1.00 0.00 N ATOM 162 CA ALA A 112 -30.765 14.468 31.952 1.00 0.00 C ATOM 163 C ALA A 112 -31.405 13.201 31.382 1.00 0.00 C ATOM 164 O ALA A 112 -32.434 13.253 30.736 1.00 0.00 O ATOM 165 CB ALA A 112 -31.860 15.423 32.433 1.00 0.00 C ATOM 0 H ALA A 112 -30.272 14.990 29.943 1.00 0.00 H new ATOM 0 HA ALA A 112 -30.123 14.201 32.791 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -32.457 14.934 33.203 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -31.403 16.323 32.845 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -32.501 15.693 31.594 1.00 0.00 H new ATOM 171 N PHE A 113 -30.805 12.063 31.624 1.00 0.00 N ATOM 172 CA PHE A 113 -31.374 10.785 31.105 1.00 0.00 C ATOM 173 C PHE A 113 -31.828 9.922 32.284 1.00 0.00 C ATOM 174 O PHE A 113 -31.623 10.269 33.431 1.00 0.00 O ATOM 175 CB PHE A 113 -30.305 10.036 30.306 1.00 0.00 C ATOM 176 CG PHE A 113 -29.901 10.864 29.109 1.00 0.00 C ATOM 177 CD1 PHE A 113 -30.751 10.953 28.001 1.00 0.00 C ATOM 178 CD2 PHE A 113 -28.677 11.543 29.110 1.00 0.00 C ATOM 179 CE1 PHE A 113 -30.378 11.722 26.892 1.00 0.00 C ATOM 180 CE2 PHE A 113 -28.303 12.310 28.001 1.00 0.00 C ATOM 181 CZ PHE A 113 -29.153 12.401 26.893 1.00 0.00 C ATOM 0 H PHE A 113 -29.943 11.965 32.160 1.00 0.00 H new ATOM 0 HA PHE A 113 -32.224 10.999 30.457 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -29.437 9.838 30.935 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -30.689 9.069 29.980 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -31.695 10.428 28.001 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -28.022 11.475 29.966 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -31.034 11.792 26.037 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -27.358 12.832 28.000 1.00 0.00 H new ATOM 0 HZ PHE A 113 -28.864 12.995 26.038 1.00 0.00 H new ATOM 191 N ALA A 114 -32.444 8.801 32.007 1.00 0.00 N ATOM 192 CA ALA A 114 -32.912 7.909 33.109 1.00 0.00 C ATOM 193 C ALA A 114 -32.677 6.442 32.728 1.00 0.00 C ATOM 194 O ALA A 114 -33.330 5.550 33.238 1.00 0.00 O ATOM 195 CB ALA A 114 -34.405 8.139 33.347 1.00 0.00 C ATOM 0 H ALA A 114 -32.643 8.465 31.065 1.00 0.00 H new ATOM 0 HA ALA A 114 -32.355 8.137 34.018 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -34.750 7.489 34.151 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -34.573 9.180 33.624 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -34.958 7.913 32.435 1.00 0.00 H new ATOM 201 N ARG A 115 -31.746 6.188 31.842 1.00 0.00 N ATOM 202 CA ARG A 115 -31.459 4.784 31.427 1.00 0.00 C ATOM 203 C ARG A 115 -29.975 4.660 31.073 1.00 0.00 C ATOM 204 O ARG A 115 -29.405 5.537 30.451 1.00 0.00 O ATOM 205 CB ARG A 115 -32.304 4.426 30.202 1.00 0.00 C ATOM 206 CG ARG A 115 -33.763 4.218 30.622 1.00 0.00 C ATOM 207 CD ARG A 115 -33.886 2.952 31.477 1.00 0.00 C ATOM 208 NE ARG A 115 -34.592 1.895 30.698 1.00 0.00 N ATOM 209 CZ ARG A 115 -35.558 1.213 31.250 1.00 0.00 C ATOM 210 NH1 ARG A 115 -36.552 1.835 31.822 1.00 0.00 N ATOM 211 NH2 ARG A 115 -35.531 -0.092 31.228 1.00 0.00 N ATOM 0 H ARG A 115 -31.171 6.897 31.387 1.00 0.00 H new ATOM 0 HA ARG A 115 -31.703 4.105 32.244 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -32.239 5.221 29.459 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -31.918 3.520 29.734 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -34.115 5.083 31.185 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -34.396 4.133 29.739 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -32.897 2.602 31.773 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -34.434 3.171 32.394 1.00 0.00 H new ATOM 0 HE ARG A 115 -34.320 1.705 29.734 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -36.574 2.855 31.838 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -37.307 1.302 32.253 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -34.755 -0.579 30.779 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -36.286 -0.625 31.659 1.00 0.00 H new ATOM 225 N GLN A 116 -29.347 3.580 31.464 1.00 0.00 N ATOM 226 CA GLN A 116 -27.899 3.397 31.150 1.00 0.00 C ATOM 227 C GLN A 116 -27.744 2.995 29.683 1.00 0.00 C ATOM 228 O GLN A 116 -26.785 3.362 29.030 1.00 0.00 O ATOM 229 CB GLN A 116 -27.315 2.301 32.046 1.00 0.00 C ATOM 230 CG GLN A 116 -25.823 2.558 32.258 1.00 0.00 C ATOM 231 CD GLN A 116 -25.619 3.376 33.534 1.00 0.00 C ATOM 232 OE1 GLN A 116 -25.522 4.586 33.485 1.00 0.00 O ATOM 233 NE2 GLN A 116 -25.550 2.762 34.684 1.00 0.00 N ATOM 0 H GLN A 116 -29.776 2.817 31.988 1.00 0.00 H new ATOM 0 HA GLN A 116 -27.367 4.331 31.329 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -27.832 2.286 33.005 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -27.465 1.323 31.588 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -25.288 1.611 32.331 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -25.411 3.092 31.402 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -25.631 1.746 34.725 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -25.415 3.298 35.541 1.00 0.00 H new ATOM 242 N GLU A 117 -28.680 2.243 29.163 1.00 0.00 N ATOM 243 CA GLU A 117 -28.596 1.810 27.737 1.00 0.00 C ATOM 244 C GLU A 117 -28.748 3.027 26.820 1.00 0.00 C ATOM 245 O GLU A 117 -28.195 3.071 25.738 1.00 0.00 O ATOM 246 CB GLU A 117 -29.710 0.800 27.442 1.00 0.00 C ATOM 247 CG GLU A 117 -31.075 1.414 27.781 1.00 0.00 C ATOM 248 CD GLU A 117 -31.955 0.368 28.470 1.00 0.00 C ATOM 249 OE1 GLU A 117 -31.492 -0.226 29.429 1.00 0.00 O ATOM 250 OE2 GLU A 117 -33.076 0.181 28.027 1.00 0.00 O ATOM 0 H GLU A 117 -29.502 1.909 29.667 1.00 0.00 H new ATOM 0 HA GLU A 117 -27.628 1.343 27.557 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -29.682 0.511 26.391 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -29.554 -0.107 28.026 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -30.944 2.279 28.432 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -31.560 1.770 26.872 1.00 0.00 H new ATOM 257 N HIS A 118 -29.495 4.014 27.249 1.00 0.00 N ATOM 258 CA HIS A 118 -29.688 5.233 26.408 1.00 0.00 C ATOM 259 C HIS A 118 -28.460 6.136 26.531 1.00 0.00 C ATOM 260 O HIS A 118 -27.979 6.679 25.554 1.00 0.00 O ATOM 261 CB HIS A 118 -30.929 5.991 26.886 1.00 0.00 C ATOM 262 CG HIS A 118 -32.157 5.170 26.605 1.00 0.00 C ATOM 263 ND1 HIS A 118 -33.338 5.339 27.312 1.00 0.00 N ATOM 264 CD2 HIS A 118 -32.405 4.170 25.697 1.00 0.00 C ATOM 265 CE1 HIS A 118 -34.233 4.462 26.822 1.00 0.00 C ATOM 266 NE2 HIS A 118 -33.717 3.725 25.836 1.00 0.00 N ATOM 0 H HIS A 118 -29.980 4.027 28.146 1.00 0.00 H new ATOM 0 HA HIS A 118 -29.820 4.939 25.367 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -30.853 6.198 27.954 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -30.998 6.953 26.379 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -31.691 3.787 24.983 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -35.246 4.366 27.183 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -34.183 2.993 25.300 1.00 0.00 H new ATOM 274 N LEU A 119 -27.951 6.298 27.725 1.00 0.00 N ATOM 275 CA LEU A 119 -26.755 7.159 27.928 1.00 0.00 C ATOM 276 C LEU A 119 -25.556 6.563 27.184 1.00 0.00 C ATOM 277 O LEU A 119 -24.642 7.268 26.806 1.00 0.00 O ATOM 278 CB LEU A 119 -26.439 7.234 29.425 1.00 0.00 C ATOM 279 CG LEU A 119 -25.902 8.622 29.778 1.00 0.00 C ATOM 280 CD1 LEU A 119 -25.614 8.689 31.277 1.00 0.00 C ATOM 281 CD2 LEU A 119 -24.609 8.884 29.005 1.00 0.00 C ATOM 0 H LEU A 119 -28.318 5.866 28.573 1.00 0.00 H new ATOM 0 HA LEU A 119 -26.956 8.158 27.542 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -27.337 7.024 30.006 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -25.704 6.473 29.688 1.00 0.00 H new ATOM 0 HG LEU A 119 -26.644 9.374 29.512 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -25.231 9.678 31.530 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -26.533 8.502 31.833 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -24.872 7.935 31.539 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -24.228 9.873 29.258 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -23.867 8.131 29.271 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -24.809 8.835 27.935 1.00 0.00 H new ATOM 293 N LYS A 120 -25.549 5.268 26.978 1.00 0.00 N ATOM 294 CA LYS A 120 -24.404 4.621 26.265 1.00 0.00 C ATOM 295 C LYS A 120 -24.242 5.234 24.869 1.00 0.00 C ATOM 296 O LYS A 120 -23.138 5.420 24.392 1.00 0.00 O ATOM 297 CB LYS A 120 -24.670 3.118 26.139 1.00 0.00 C ATOM 298 CG LYS A 120 -23.954 2.371 27.268 1.00 0.00 C ATOM 299 CD LYS A 120 -22.607 1.844 26.762 1.00 0.00 C ATOM 300 CE LYS A 120 -21.566 1.932 27.881 1.00 0.00 C ATOM 301 NZ LYS A 120 -20.763 3.177 27.715 1.00 0.00 N ATOM 0 H LYS A 120 -26.288 4.631 27.274 1.00 0.00 H new ATOM 0 HA LYS A 120 -23.488 4.785 26.832 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -25.742 2.924 26.184 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -24.320 2.757 25.172 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -23.800 3.036 28.117 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -24.571 1.544 27.619 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -22.711 0.811 26.429 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -22.279 2.425 25.900 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -22.060 1.932 28.853 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -20.913 1.059 27.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -20.055 3.238 28.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -20.281 3.159 26.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -21.392 4.004 27.761 1.00 0.00 H new ATOM 315 N ARG A 121 -25.332 5.546 24.216 1.00 0.00 N ATOM 316 CA ARG A 121 -25.246 6.147 22.850 1.00 0.00 C ATOM 317 C ARG A 121 -25.066 7.663 22.964 1.00 0.00 C ATOM 318 O ARG A 121 -24.482 8.293 22.102 1.00 0.00 O ATOM 319 CB ARG A 121 -26.533 5.844 22.078 1.00 0.00 C ATOM 320 CG ARG A 121 -26.380 6.309 20.628 1.00 0.00 C ATOM 321 CD ARG A 121 -27.753 6.342 19.953 1.00 0.00 C ATOM 322 NE ARG A 121 -27.739 7.339 18.846 1.00 0.00 N ATOM 323 CZ ARG A 121 -28.260 8.522 19.027 1.00 0.00 C ATOM 324 NH1 ARG A 121 -27.707 9.357 19.865 1.00 0.00 N ATOM 325 NH2 ARG A 121 -29.333 8.870 18.372 1.00 0.00 N ATOM 0 H ARG A 121 -26.279 5.411 24.570 1.00 0.00 H new ATOM 0 HA ARG A 121 -24.393 5.721 22.321 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -26.744 4.775 22.108 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -27.378 6.349 22.546 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -25.925 7.299 20.599 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -25.714 5.636 20.088 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -28.003 5.355 19.564 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -28.522 6.602 20.681 1.00 0.00 H new ATOM 0 HE ARG A 121 -27.322 7.097 17.947 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -26.868 9.085 20.378 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -28.114 10.282 20.007 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -29.765 8.218 17.718 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -29.740 9.795 18.514 1.00 0.00 H new ATOM 339 N HIS A 122 -25.566 8.252 24.021 1.00 0.00 N ATOM 340 CA HIS A 122 -25.433 9.728 24.201 1.00 0.00 C ATOM 341 C HIS A 122 -23.950 10.079 24.429 1.00 0.00 C ATOM 342 O HIS A 122 -23.520 11.183 24.150 1.00 0.00 O ATOM 343 CB HIS A 122 -26.284 10.156 25.412 1.00 0.00 C ATOM 344 CG HIS A 122 -26.036 11.604 25.761 1.00 0.00 C ATOM 345 ND1 HIS A 122 -26.599 12.645 25.039 1.00 0.00 N ATOM 346 CD2 HIS A 122 -25.295 12.194 26.754 1.00 0.00 C ATOM 347 CE1 HIS A 122 -26.191 13.796 25.603 1.00 0.00 C ATOM 348 NE2 HIS A 122 -25.395 13.578 26.652 1.00 0.00 N ATOM 0 H HIS A 122 -26.063 7.770 24.770 1.00 0.00 H new ATOM 0 HA HIS A 122 -25.783 10.255 23.314 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -27.341 10.007 25.190 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -26.047 9.526 26.269 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -24.722 11.665 27.501 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -26.473 14.777 25.250 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -24.954 14.276 27.251 1.00 0.00 H new ATOM 356 N TYR A 123 -23.175 9.153 24.936 1.00 0.00 N ATOM 357 CA TYR A 123 -21.730 9.431 25.187 1.00 0.00 C ATOM 358 C TYR A 123 -20.912 9.154 23.919 1.00 0.00 C ATOM 359 O TYR A 123 -19.823 9.670 23.755 1.00 0.00 O ATOM 360 CB TYR A 123 -21.230 8.534 26.322 1.00 0.00 C ATOM 361 CG TYR A 123 -19.910 9.056 26.836 1.00 0.00 C ATOM 362 CD1 TYR A 123 -19.882 10.154 27.704 1.00 0.00 C ATOM 363 CD2 TYR A 123 -18.714 8.442 26.446 1.00 0.00 C ATOM 364 CE1 TYR A 123 -18.659 10.639 28.182 1.00 0.00 C ATOM 365 CE2 TYR A 123 -17.490 8.926 26.923 1.00 0.00 C ATOM 366 CZ TYR A 123 -17.463 10.024 27.791 1.00 0.00 C ATOM 367 OH TYR A 123 -16.256 10.501 28.263 1.00 0.00 O ATOM 0 H TYR A 123 -23.483 8.214 25.187 1.00 0.00 H new ATOM 0 HA TYR A 123 -21.611 10.478 25.465 1.00 0.00 H new ATOM 0 HB2 TYR A 123 -21.962 8.510 27.129 1.00 0.00 H new ATOM 0 HB3 TYR A 123 -21.114 7.510 25.966 1.00 0.00 H new ATOM 0 HD1 TYR A 123 -20.805 10.627 28.005 1.00 0.00 H new ATOM 0 HD2 TYR A 123 -18.736 7.595 25.777 1.00 0.00 H new ATOM 0 HE1 TYR A 123 -18.638 11.486 28.851 1.00 0.00 H new ATOM 0 HE2 TYR A 123 -16.567 8.453 26.622 1.00 0.00 H new ATOM 0 HH TYR A 123 -15.525 9.961 27.896 1.00 0.00 H new ATOM 377 N ARG A 124 -21.426 8.344 23.024 1.00 0.00 N ATOM 378 CA ARG A 124 -20.676 8.035 21.770 1.00 0.00 C ATOM 379 C ARG A 124 -20.518 9.308 20.933 1.00 0.00 C ATOM 380 O ARG A 124 -19.577 9.444 20.173 1.00 0.00 O ATOM 381 CB ARG A 124 -21.447 6.989 20.961 1.00 0.00 C ATOM 382 CG ARG A 124 -20.955 5.589 21.332 1.00 0.00 C ATOM 383 CD ARG A 124 -21.996 4.553 20.906 1.00 0.00 C ATOM 384 NE ARG A 124 -21.358 3.208 20.836 1.00 0.00 N ATOM 385 CZ ARG A 124 -21.724 2.267 21.665 1.00 0.00 C ATOM 386 NH1 ARG A 124 -22.760 1.523 21.391 1.00 0.00 N ATOM 387 NH2 ARG A 124 -21.053 2.073 22.767 1.00 0.00 N ATOM 0 H ARG A 124 -22.333 7.885 23.110 1.00 0.00 H new ATOM 0 HA ARG A 124 -19.690 7.648 22.027 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -22.515 7.075 21.161 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -21.307 7.164 19.894 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -20.002 5.385 20.843 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -20.782 5.526 22.406 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -22.823 4.539 21.616 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -22.414 4.820 19.936 1.00 0.00 H new ATOM 0 HE ARG A 124 -20.635 3.022 20.141 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -23.284 1.676 20.530 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -23.046 0.788 22.038 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -20.244 2.656 22.981 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -21.338 1.339 23.415 1.00 0.00 H new ATOM 401 N SER A 125 -21.433 10.237 21.061 1.00 0.00 N ATOM 402 CA SER A 125 -21.342 11.500 20.268 1.00 0.00 C ATOM 403 C SER A 125 -20.763 12.620 21.137 1.00 0.00 C ATOM 404 O SER A 125 -21.047 13.784 20.928 1.00 0.00 O ATOM 405 CB SER A 125 -22.736 11.899 19.788 1.00 0.00 C ATOM 406 OG SER A 125 -23.676 11.665 20.828 1.00 0.00 O ATOM 0 H SER A 125 -22.240 10.174 21.682 1.00 0.00 H new ATOM 0 HA SER A 125 -20.690 11.339 19.410 1.00 0.00 H new ATOM 0 HB2 SER A 125 -22.747 12.951 19.502 1.00 0.00 H new ATOM 0 HB3 SER A 125 -23.006 11.325 18.902 1.00 0.00 H new ATOM 0 HG SER A 125 -24.571 11.922 20.524 1.00 0.00 H new ATOM 412 N HIS A 126 -19.956 12.277 22.109 1.00 0.00 N ATOM 413 CA HIS A 126 -19.357 13.321 22.995 1.00 0.00 C ATOM 414 C HIS A 126 -17.832 13.340 22.835 1.00 0.00 C ATOM 415 O HIS A 126 -17.188 14.330 23.131 1.00 0.00 O ATOM 416 CB HIS A 126 -19.713 13.021 24.453 1.00 0.00 C ATOM 417 CG HIS A 126 -21.003 13.711 24.804 1.00 0.00 C ATOM 418 ND1 HIS A 126 -21.257 15.026 24.449 1.00 0.00 N ATOM 419 CD2 HIS A 126 -22.119 13.283 25.479 1.00 0.00 C ATOM 420 CE1 HIS A 126 -22.482 15.341 24.907 1.00 0.00 C ATOM 421 NE2 HIS A 126 -23.052 14.315 25.543 1.00 0.00 N ATOM 0 H HIS A 126 -19.686 11.318 22.327 1.00 0.00 H new ATOM 0 HA HIS A 126 -19.756 14.295 22.713 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -19.811 11.946 24.601 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -18.914 13.362 25.112 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -22.253 12.296 25.897 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -22.948 16.307 24.776 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -23.973 14.292 25.981 1.00 0.00 H new ATOM 508 N TYR A 132 -12.050 6.782 12.694 1.00 0.00 N ATOM 509 CA TYR A 132 -10.963 5.822 12.335 1.00 0.00 C ATOM 510 C TYR A 132 -11.156 4.503 13.110 1.00 0.00 C ATOM 511 O TYR A 132 -10.417 4.224 14.035 1.00 0.00 O ATOM 512 CB TYR A 132 -9.604 6.437 12.687 1.00 0.00 C ATOM 513 CG TYR A 132 -9.454 7.763 11.980 1.00 0.00 C ATOM 514 CD1 TYR A 132 -9.190 7.796 10.605 1.00 0.00 C ATOM 515 CD2 TYR A 132 -9.578 8.958 12.698 1.00 0.00 C ATOM 516 CE1 TYR A 132 -9.049 9.025 9.949 1.00 0.00 C ATOM 517 CE2 TYR A 132 -9.437 10.187 12.042 1.00 0.00 C ATOM 518 CZ TYR A 132 -9.173 10.220 10.667 1.00 0.00 C ATOM 519 OH TYR A 132 -9.034 11.431 10.020 1.00 0.00 O ATOM 0 HA TYR A 132 -11.000 5.615 11.266 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -9.524 6.576 13.765 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -8.800 5.762 12.392 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -9.095 6.874 10.051 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -9.782 8.932 13.758 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -8.845 9.051 8.889 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -9.532 11.109 12.596 1.00 0.00 H new ATOM 0 HH TYR A 132 -9.150 12.161 10.663 1.00 0.00 H new ATOM 529 N PRO A 133 -12.144 3.714 12.716 1.00 0.00 N ATOM 530 CA PRO A 133 -12.424 2.426 13.377 1.00 0.00 C ATOM 531 C PRO A 133 -11.438 1.354 12.900 1.00 0.00 C ATOM 532 O PRO A 133 -11.019 1.349 11.758 1.00 0.00 O ATOM 533 CB PRO A 133 -13.849 2.090 12.929 1.00 0.00 C ATOM 534 CG PRO A 133 -14.092 2.873 11.617 1.00 0.00 C ATOM 535 CD PRO A 133 -13.068 4.023 11.595 1.00 0.00 C ATOM 0 HA PRO A 133 -12.324 2.473 14.461 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -13.963 1.018 12.768 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -14.573 2.376 13.692 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -13.965 2.225 10.750 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -15.110 3.260 11.580 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -12.538 4.066 10.643 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -13.552 4.990 11.734 1.00 0.00 H new ATOM 543 N CYS A 134 -11.070 0.447 13.769 1.00 0.00 N ATOM 544 CA CYS A 134 -10.114 -0.632 13.378 1.00 0.00 C ATOM 545 C CYS A 134 -10.870 -1.730 12.625 1.00 0.00 C ATOM 546 O CYS A 134 -11.956 -2.123 13.010 1.00 0.00 O ATOM 547 CB CYS A 134 -9.469 -1.222 14.638 1.00 0.00 C ATOM 548 SG CYS A 134 -8.200 -2.431 14.174 1.00 0.00 S ATOM 0 H CYS A 134 -11.392 0.408 14.736 1.00 0.00 H new ATOM 0 HA CYS A 134 -9.338 -0.219 12.734 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -9.024 -0.426 15.236 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -10.229 -1.699 15.257 1.00 0.00 H new ATOM 0 HG CYS A 134 -7.108 -1.808 13.841 1.00 0.00 H new ATOM 553 N GLY A 135 -10.299 -2.228 11.558 1.00 0.00 N ATOM 554 CA GLY A 135 -10.972 -3.305 10.773 1.00 0.00 C ATOM 555 C GLY A 135 -10.390 -4.662 11.169 1.00 0.00 C ATOM 556 O GLY A 135 -10.335 -5.580 10.373 1.00 0.00 O ATOM 0 H GLY A 135 -9.392 -1.933 11.196 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -12.046 -3.289 10.960 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -10.831 -3.134 9.706 1.00 0.00 H new ATOM 560 N LEU A 136 -9.953 -4.793 12.397 1.00 0.00 N ATOM 561 CA LEU A 136 -9.369 -6.087 12.858 1.00 0.00 C ATOM 562 C LEU A 136 -9.954 -6.440 14.227 1.00 0.00 C ATOM 563 O LEU A 136 -10.375 -7.556 14.465 1.00 0.00 O ATOM 564 CB LEU A 136 -7.845 -5.956 12.979 1.00 0.00 C ATOM 565 CG LEU A 136 -7.271 -5.296 11.719 1.00 0.00 C ATOM 566 CD1 LEU A 136 -5.772 -5.055 11.911 1.00 0.00 C ATOM 567 CD2 LEU A 136 -7.500 -6.208 10.502 1.00 0.00 C ATOM 0 H LEU A 136 -9.976 -4.056 13.101 1.00 0.00 H new ATOM 0 HA LEU A 136 -9.607 -6.869 12.137 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -7.592 -5.362 13.857 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -7.398 -6.940 13.120 1.00 0.00 H new ATOM 0 HG LEU A 136 -7.773 -4.344 11.548 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -5.361 -4.586 11.017 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -5.616 -4.401 12.768 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -5.270 -6.007 12.085 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -7.090 -5.734 9.610 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -7.003 -7.164 10.665 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -8.569 -6.373 10.367 1.00 0.00 H new ATOM 579 N CYS A 137 -9.982 -5.489 15.124 1.00 0.00 N ATOM 580 CA CYS A 137 -10.539 -5.746 16.487 1.00 0.00 C ATOM 581 C CYS A 137 -11.937 -5.122 16.621 1.00 0.00 C ATOM 582 O CYS A 137 -12.643 -5.374 17.580 1.00 0.00 O ATOM 583 CB CYS A 137 -9.602 -5.139 17.537 1.00 0.00 C ATOM 584 SG CYS A 137 -9.410 -3.358 17.253 1.00 0.00 S ATOM 0 H CYS A 137 -9.641 -4.540 14.971 1.00 0.00 H new ATOM 0 HA CYS A 137 -10.621 -6.822 16.641 1.00 0.00 H new ATOM 0 HB2 CYS A 137 -10.002 -5.314 18.536 1.00 0.00 H new ATOM 0 HB3 CYS A 137 -8.629 -5.628 17.493 1.00 0.00 H new ATOM 0 HG CYS A 137 -8.772 -3.163 16.137 1.00 0.00 H new ATOM 589 N ASN A 138 -12.339 -4.302 15.676 1.00 0.00 N ATOM 590 CA ASN A 138 -13.687 -3.648 15.742 1.00 0.00 C ATOM 591 C ASN A 138 -13.681 -2.588 16.848 1.00 0.00 C ATOM 592 O ASN A 138 -14.590 -2.505 17.652 1.00 0.00 O ATOM 593 CB ASN A 138 -14.781 -4.688 16.023 1.00 0.00 C ATOM 594 CG ASN A 138 -16.077 -4.267 15.326 1.00 0.00 C ATOM 595 OD1 ASN A 138 -16.955 -3.700 15.945 1.00 0.00 O ATOM 596 ND2 ASN A 138 -16.233 -4.522 14.056 1.00 0.00 N ATOM 0 H ASN A 138 -11.786 -4.056 14.855 1.00 0.00 H new ATOM 0 HA ASN A 138 -13.899 -3.178 14.782 1.00 0.00 H new ATOM 0 HB2 ASN A 138 -14.466 -5.669 15.666 1.00 0.00 H new ATOM 0 HB3 ASN A 138 -14.946 -4.777 17.097 1.00 0.00 H new ATOM 0 HD21 ASN A 138 -17.093 -4.245 13.582 1.00 0.00 H new ATOM 0 HD22 ASN A 138 -15.495 -4.998 13.537 1.00 0.00 H new ATOM 603 N ARG A 139 -12.657 -1.773 16.883 1.00 0.00 N ATOM 604 CA ARG A 139 -12.571 -0.707 17.922 1.00 0.00 C ATOM 605 C ARG A 139 -12.806 0.655 17.261 1.00 0.00 C ATOM 606 O ARG A 139 -13.146 0.733 16.096 1.00 0.00 O ATOM 607 CB ARG A 139 -11.183 -0.737 18.566 1.00 0.00 C ATOM 608 CG ARG A 139 -11.130 -1.853 19.611 1.00 0.00 C ATOM 609 CD ARG A 139 -9.746 -1.882 20.261 1.00 0.00 C ATOM 610 NE ARG A 139 -9.561 -3.174 20.981 1.00 0.00 N ATOM 611 CZ ARG A 139 -8.359 -3.606 21.249 1.00 0.00 C ATOM 612 NH1 ARG A 139 -7.728 -3.168 22.305 1.00 0.00 N ATOM 613 NH2 ARG A 139 -7.788 -4.476 20.462 1.00 0.00 N ATOM 0 H ARG A 139 -11.873 -1.802 16.231 1.00 0.00 H new ATOM 0 HA ARG A 139 -13.326 -0.875 18.690 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -10.420 -0.901 17.805 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -10.966 0.224 19.033 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -11.896 -1.691 20.370 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -11.343 -2.814 19.143 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -8.973 -1.763 19.501 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -9.641 -1.048 20.955 1.00 0.00 H new ATOM 0 HE ARG A 139 -10.374 -3.721 21.264 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -8.175 -2.488 22.921 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -6.789 -3.506 22.514 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -8.281 -4.818 19.637 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -6.849 -4.814 20.671 1.00 0.00 H new ATOM 627 N ALA A 140 -12.630 1.726 17.995 1.00 0.00 N ATOM 628 CA ALA A 140 -12.847 3.082 17.407 1.00 0.00 C ATOM 629 C ALA A 140 -11.744 4.035 17.876 1.00 0.00 C ATOM 630 O ALA A 140 -11.263 3.942 18.990 1.00 0.00 O ATOM 631 CB ALA A 140 -14.207 3.616 17.857 1.00 0.00 C ATOM 0 H ALA A 140 -12.346 1.719 18.975 1.00 0.00 H new ATOM 0 HA ALA A 140 -12.821 3.012 16.320 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -14.369 4.606 17.430 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -14.993 2.941 17.518 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -14.230 3.682 18.945 1.00 0.00 H new ATOM 637 N PHE A 141 -11.346 4.952 17.031 1.00 0.00 N ATOM 638 CA PHE A 141 -10.279 5.923 17.413 1.00 0.00 C ATOM 639 C PHE A 141 -10.627 7.304 16.853 1.00 0.00 C ATOM 640 O PHE A 141 -11.579 7.457 16.110 1.00 0.00 O ATOM 641 CB PHE A 141 -8.937 5.463 16.836 1.00 0.00 C ATOM 642 CG PHE A 141 -8.583 4.110 17.404 1.00 0.00 C ATOM 643 CD1 PHE A 141 -9.010 2.945 16.755 1.00 0.00 C ATOM 644 CD2 PHE A 141 -7.828 4.020 18.580 1.00 0.00 C ATOM 645 CE1 PHE A 141 -8.683 1.691 17.283 1.00 0.00 C ATOM 646 CE2 PHE A 141 -7.502 2.765 19.107 1.00 0.00 C ATOM 647 CZ PHE A 141 -7.928 1.600 18.459 1.00 0.00 C ATOM 0 H PHE A 141 -11.717 5.069 16.088 1.00 0.00 H new ATOM 0 HA PHE A 141 -10.207 5.976 18.499 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -8.996 5.409 15.749 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -8.158 6.186 17.078 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -9.591 3.014 15.847 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -7.497 4.918 19.080 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -9.013 0.792 16.783 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -6.921 2.696 20.015 1.00 0.00 H new ATOM 0 HZ PHE A 141 -7.675 0.632 18.865 1.00 0.00 H new ATOM 657 N THR A 142 -9.867 8.310 17.208 1.00 0.00 N ATOM 658 CA THR A 142 -10.155 9.686 16.702 1.00 0.00 C ATOM 659 C THR A 142 -8.997 10.170 15.822 1.00 0.00 C ATOM 660 O THR A 142 -9.197 10.914 14.881 1.00 0.00 O ATOM 661 CB THR A 142 -10.326 10.638 17.887 1.00 0.00 C ATOM 662 OG1 THR A 142 -9.160 10.596 18.698 1.00 0.00 O ATOM 663 CG2 THR A 142 -11.541 10.214 18.714 1.00 0.00 C ATOM 0 H THR A 142 -9.059 8.237 17.827 1.00 0.00 H new ATOM 0 HA THR A 142 -11.071 9.667 16.111 1.00 0.00 H new ATOM 0 HB THR A 142 -10.477 11.653 17.519 1.00 0.00 H new ATOM 0 HG1 THR A 142 -9.267 11.207 19.457 1.00 0.00 H new ATOM 0 HG21 THR A 142 -11.662 10.893 19.558 1.00 0.00 H new ATOM 0 HG22 THR A 142 -12.435 10.247 18.091 1.00 0.00 H new ATOM 0 HG23 THR A 142 -11.394 9.199 19.083 1.00 0.00 H new ATOM 671 N ARG A 143 -7.792 9.756 16.123 1.00 0.00 N ATOM 672 CA ARG A 143 -6.620 10.195 15.309 1.00 0.00 C ATOM 673 C ARG A 143 -6.246 9.098 14.309 1.00 0.00 C ATOM 674 O ARG A 143 -6.302 7.922 14.615 1.00 0.00 O ATOM 675 CB ARG A 143 -5.430 10.464 16.233 1.00 0.00 C ATOM 676 CG ARG A 143 -5.725 11.687 17.105 1.00 0.00 C ATOM 677 CD ARG A 143 -4.752 11.721 18.285 1.00 0.00 C ATOM 678 NE ARG A 143 -3.569 12.556 17.929 1.00 0.00 N ATOM 679 CZ ARG A 143 -3.635 13.855 18.025 1.00 0.00 C ATOM 680 NH1 ARG A 143 -3.638 14.424 19.200 1.00 0.00 N ATOM 681 NH2 ARG A 143 -3.699 14.586 16.945 1.00 0.00 N ATOM 0 H ARG A 143 -7.570 9.132 16.899 1.00 0.00 H new ATOM 0 HA ARG A 143 -6.878 11.106 14.768 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -5.240 9.594 16.861 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -4.529 10.634 15.643 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -5.629 12.599 16.515 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -6.752 11.648 17.468 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -5.247 12.129 19.167 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -4.434 10.709 18.537 1.00 0.00 H new ATOM 0 HE ARG A 143 -2.708 12.111 17.610 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -3.589 13.853 20.043 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -3.690 15.440 19.275 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -3.697 14.141 16.027 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -3.751 15.602 17.019 1.00 0.00 H new ATOM 695 N ARG A 144 -5.863 9.479 13.116 1.00 0.00 N ATOM 696 CA ARG A 144 -5.478 8.468 12.087 1.00 0.00 C ATOM 697 C ARG A 144 -4.163 7.804 12.500 1.00 0.00 C ATOM 698 O ARG A 144 -4.000 6.605 12.383 1.00 0.00 O ATOM 699 CB ARG A 144 -5.298 9.160 10.734 1.00 0.00 C ATOM 700 CG ARG A 144 -5.520 8.147 9.610 1.00 0.00 C ATOM 701 CD ARG A 144 -4.931 8.694 8.308 1.00 0.00 C ATOM 702 NE ARG A 144 -3.462 8.444 8.285 1.00 0.00 N ATOM 703 CZ ARG A 144 -2.633 9.436 8.110 1.00 0.00 C ATOM 704 NH1 ARG A 144 -2.356 9.851 6.905 1.00 0.00 N ATOM 705 NH2 ARG A 144 -2.081 10.014 9.143 1.00 0.00 N ATOM 0 H ARG A 144 -5.801 10.450 12.811 1.00 0.00 H new ATOM 0 HA ARG A 144 -6.259 7.713 12.006 1.00 0.00 H new ATOM 0 HB2 ARG A 144 -6.004 9.985 10.639 1.00 0.00 H new ATOM 0 HB3 ARG A 144 -4.297 9.586 10.662 1.00 0.00 H new ATOM 0 HG2 ARG A 144 -5.050 7.197 9.864 1.00 0.00 H new ATOM 0 HG3 ARG A 144 -6.585 7.952 9.486 1.00 0.00 H new ATOM 0 HD2 ARG A 144 -5.406 8.215 7.452 1.00 0.00 H new ATOM 0 HD3 ARG A 144 -5.130 9.763 8.227 1.00 0.00 H new ATOM 0 HE ARG A 144 -3.104 7.496 8.406 1.00 0.00 H new ATOM 0 HH11 ARG A 144 -2.788 9.400 6.098 1.00 0.00 H new ATOM 0 HH12 ARG A 144 -1.708 10.627 6.769 1.00 0.00 H new ATOM 0 HH21 ARG A 144 -2.298 9.690 10.085 1.00 0.00 H new ATOM 0 HH22 ARG A 144 -1.433 10.790 9.007 1.00 0.00 H new ATOM 719 N ASP A 145 -3.227 8.579 12.990 1.00 0.00 N ATOM 720 CA ASP A 145 -1.917 8.003 13.422 1.00 0.00 C ATOM 721 C ASP A 145 -2.148 6.968 14.531 1.00 0.00 C ATOM 722 O ASP A 145 -1.337 6.086 14.742 1.00 0.00 O ATOM 723 CB ASP A 145 -1.016 9.122 13.949 1.00 0.00 C ATOM 724 CG ASP A 145 -1.752 9.897 15.043 1.00 0.00 C ATOM 725 OD1 ASP A 145 -1.803 9.405 16.159 1.00 0.00 O ATOM 726 OD2 ASP A 145 -2.252 10.970 14.747 1.00 0.00 O ATOM 0 H ASP A 145 -3.315 9.588 13.109 1.00 0.00 H new ATOM 0 HA ASP A 145 -1.438 7.519 12.571 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -0.091 8.703 14.345 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -0.739 9.794 13.136 1.00 0.00 H new ATOM 731 N LEU A 146 -3.248 7.070 15.237 1.00 0.00 N ATOM 732 CA LEU A 146 -3.539 6.096 16.328 1.00 0.00 C ATOM 733 C LEU A 146 -3.905 4.740 15.724 1.00 0.00 C ATOM 734 O LEU A 146 -3.384 3.715 16.115 1.00 0.00 O ATOM 735 CB LEU A 146 -4.716 6.607 17.160 1.00 0.00 C ATOM 736 CG LEU A 146 -4.197 7.455 18.321 1.00 0.00 C ATOM 737 CD1 LEU A 146 -5.377 8.088 19.059 1.00 0.00 C ATOM 738 CD2 LEU A 146 -3.409 6.567 19.287 1.00 0.00 C ATOM 0 H LEU A 146 -3.958 7.790 15.102 1.00 0.00 H new ATOM 0 HA LEU A 146 -2.657 5.987 16.959 1.00 0.00 H new ATOM 0 HB2 LEU A 146 -5.385 7.199 16.536 1.00 0.00 H new ATOM 0 HB3 LEU A 146 -5.296 5.767 17.542 1.00 0.00 H new ATOM 0 HG LEU A 146 -3.547 8.240 17.935 1.00 0.00 H new ATOM 0 HD11 LEU A 146 -5.006 8.693 19.887 1.00 0.00 H new ATOM 0 HD12 LEU A 146 -5.939 8.720 18.372 1.00 0.00 H new ATOM 0 HD13 LEU A 146 -6.028 7.303 19.446 1.00 0.00 H new ATOM 0 HD21 LEU A 146 -3.038 7.170 20.116 1.00 0.00 H new ATOM 0 HD22 LEU A 146 -4.060 5.782 19.672 1.00 0.00 H new ATOM 0 HD23 LEU A 146 -2.567 6.115 18.762 1.00 0.00 H new ATOM 750 N LEU A 147 -4.811 4.734 14.780 1.00 0.00 N ATOM 751 CA LEU A 147 -5.240 3.452 14.140 1.00 0.00 C ATOM 752 C LEU A 147 -4.030 2.711 13.555 1.00 0.00 C ATOM 753 O LEU A 147 -3.892 1.514 13.721 1.00 0.00 O ATOM 754 CB LEU A 147 -6.239 3.755 13.019 1.00 0.00 C ATOM 755 CG LEU A 147 -7.274 2.628 12.927 1.00 0.00 C ATOM 756 CD1 LEU A 147 -8.319 2.967 11.855 1.00 0.00 C ATOM 757 CD2 LEU A 147 -6.575 1.316 12.557 1.00 0.00 C ATOM 0 H LEU A 147 -5.276 5.568 14.422 1.00 0.00 H new ATOM 0 HA LEU A 147 -5.707 2.821 14.896 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -6.738 4.705 13.211 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -5.714 3.857 12.069 1.00 0.00 H new ATOM 0 HG LEU A 147 -7.768 2.519 13.892 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -9.052 2.163 11.794 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -8.822 3.897 12.119 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -7.826 3.082 10.890 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -7.313 0.516 12.492 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -6.076 1.428 11.594 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -5.838 1.068 13.321 1.00 0.00 H new ATOM 769 N ILE A 148 -3.158 3.410 12.870 1.00 0.00 N ATOM 770 CA ILE A 148 -1.963 2.738 12.273 1.00 0.00 C ATOM 771 C ILE A 148 -1.080 2.179 13.392 1.00 0.00 C ATOM 772 O ILE A 148 -0.669 1.037 13.352 1.00 0.00 O ATOM 773 CB ILE A 148 -1.161 3.744 11.441 1.00 0.00 C ATOM 774 CG1 ILE A 148 -2.073 4.385 10.392 1.00 0.00 C ATOM 775 CG2 ILE A 148 -0.009 3.020 10.738 1.00 0.00 C ATOM 776 CD1 ILE A 148 -1.648 5.837 10.164 1.00 0.00 C ATOM 0 H ILE A 148 -3.222 4.414 12.699 1.00 0.00 H new ATOM 0 HA ILE A 148 -2.294 1.924 11.628 1.00 0.00 H new ATOM 0 HB ILE A 148 -0.761 4.518 12.096 1.00 0.00 H new ATOM 0 HG12 ILE A 148 -2.017 3.828 9.457 1.00 0.00 H new ATOM 0 HG13 ILE A 148 -3.110 4.347 10.724 1.00 0.00 H new ATOM 0 HG21 ILE A 148 0.562 3.735 10.146 1.00 0.00 H new ATOM 0 HG22 ILE A 148 0.642 2.563 11.483 1.00 0.00 H new ATOM 0 HG23 ILE A 148 -0.411 2.246 10.084 1.00 0.00 H new ATOM 0 HD11 ILE A 148 -2.298 6.293 9.417 1.00 0.00 H new ATOM 0 HD12 ILE A 148 -1.727 6.390 11.100 1.00 0.00 H new ATOM 0 HD13 ILE A 148 -0.617 5.863 9.813 1.00 0.00 H new ATOM 788 N ARG A 149 -0.790 2.975 14.387 1.00 0.00 N ATOM 789 CA ARG A 149 0.063 2.495 15.515 1.00 0.00 C ATOM 790 C ARG A 149 -0.653 1.370 16.278 1.00 0.00 C ATOM 791 O ARG A 149 -0.043 0.649 17.045 1.00 0.00 O ATOM 792 CB ARG A 149 0.346 3.659 16.468 1.00 0.00 C ATOM 793 CG ARG A 149 1.344 3.216 17.541 1.00 0.00 C ATOM 794 CD ARG A 149 0.589 2.804 18.807 1.00 0.00 C ATOM 795 NE ARG A 149 0.474 3.976 19.719 1.00 0.00 N ATOM 796 CZ ARG A 149 0.175 3.798 20.976 1.00 0.00 C ATOM 797 NH1 ARG A 149 -1.015 3.382 21.312 1.00 0.00 N ATOM 798 NH2 ARG A 149 1.067 4.036 21.899 1.00 0.00 N ATOM 0 H ARG A 149 -1.108 3.941 14.468 1.00 0.00 H new ATOM 0 HA ARG A 149 1.001 2.110 15.115 1.00 0.00 H new ATOM 0 HB2 ARG A 149 0.747 4.507 15.913 1.00 0.00 H new ATOM 0 HB3 ARG A 149 -0.581 3.993 16.935 1.00 0.00 H new ATOM 0 HG2 ARG A 149 1.941 2.381 17.174 1.00 0.00 H new ATOM 0 HG3 ARG A 149 2.035 4.028 17.766 1.00 0.00 H new ATOM 0 HD2 ARG A 149 -0.402 2.433 18.548 1.00 0.00 H new ATOM 0 HD3 ARG A 149 1.113 1.990 19.308 1.00 0.00 H new ATOM 0 HE ARG A 149 0.629 4.918 19.360 1.00 0.00 H new ATOM 0 HH11 ARG A 149 -1.712 3.196 20.591 1.00 0.00 H new ATOM 0 HH12 ARG A 149 -1.248 3.243 22.295 1.00 0.00 H new ATOM 0 HH21 ARG A 149 1.998 4.361 21.637 1.00 0.00 H new ATOM 0 HH22 ARG A 149 0.833 3.897 22.882 1.00 0.00 H new ATOM 812 N HIS A 150 -1.942 1.218 16.081 1.00 0.00 N ATOM 813 CA HIS A 150 -2.700 0.148 16.793 1.00 0.00 C ATOM 814 C HIS A 150 -2.457 -1.202 16.097 1.00 0.00 C ATOM 815 O HIS A 150 -2.264 -2.213 16.744 1.00 0.00 O ATOM 816 CB HIS A 150 -4.197 0.522 16.769 1.00 0.00 C ATOM 817 CG HIS A 150 -5.058 -0.629 17.229 1.00 0.00 C ATOM 818 ND1 HIS A 150 -4.833 -1.301 18.418 1.00 0.00 N ATOM 819 CD2 HIS A 150 -6.142 -1.239 16.651 1.00 0.00 C ATOM 820 CE1 HIS A 150 -5.763 -2.271 18.518 1.00 0.00 C ATOM 821 NE2 HIS A 150 -6.587 -2.277 17.465 1.00 0.00 N ATOM 0 H HIS A 150 -2.502 1.795 15.453 1.00 0.00 H new ATOM 0 HA HIS A 150 -2.367 0.059 17.827 1.00 0.00 H new ATOM 0 HB2 HIS A 150 -4.368 1.386 17.411 1.00 0.00 H new ATOM 0 HB3 HIS A 150 -4.485 0.813 15.759 1.00 0.00 H new ATOM 0 HD2 HIS A 150 -6.584 -0.957 15.707 1.00 0.00 H new ATOM 0 HE1 HIS A 150 -5.834 -2.959 19.347 1.00 0.00 H new ATOM 0 HE2 HIS A 150 -7.372 -2.906 17.295 1.00 0.00 H new ATOM 829 N ALA A 151 -2.480 -1.227 14.788 1.00 0.00 N ATOM 830 CA ALA A 151 -2.265 -2.511 14.057 1.00 0.00 C ATOM 831 C ALA A 151 -0.772 -2.854 14.017 1.00 0.00 C ATOM 832 O ALA A 151 -0.357 -3.911 14.453 1.00 0.00 O ATOM 833 CB ALA A 151 -2.795 -2.378 12.627 1.00 0.00 C ATOM 0 H ALA A 151 -2.639 -0.413 14.195 1.00 0.00 H new ATOM 0 HA ALA A 151 -2.798 -3.308 14.576 1.00 0.00 H new ATOM 0 HB1 ALA A 151 -2.639 -3.315 12.092 1.00 0.00 H new ATOM 0 HB2 ALA A 151 -3.860 -2.149 12.654 1.00 0.00 H new ATOM 0 HB3 ALA A 151 -2.264 -1.575 12.115 1.00 0.00 H new ATOM 839 N GLN A 152 0.037 -1.972 13.488 1.00 0.00 N ATOM 840 CA GLN A 152 1.508 -2.235 13.397 1.00 0.00 C ATOM 841 C GLN A 152 2.087 -2.622 14.768 1.00 0.00 C ATOM 842 O GLN A 152 3.129 -3.243 14.849 1.00 0.00 O ATOM 843 CB GLN A 152 2.212 -0.972 12.896 1.00 0.00 C ATOM 844 CG GLN A 152 1.648 -0.574 11.529 1.00 0.00 C ATOM 845 CD GLN A 152 2.545 -1.132 10.422 1.00 0.00 C ATOM 846 OE1 GLN A 152 3.146 -2.177 10.580 1.00 0.00 O ATOM 847 NE2 GLN A 152 2.664 -0.476 9.300 1.00 0.00 N ATOM 0 H GLN A 152 -0.260 -1.072 13.111 1.00 0.00 H new ATOM 0 HA GLN A 152 1.669 -3.063 12.707 1.00 0.00 H new ATOM 0 HB2 GLN A 152 2.072 -0.159 13.609 1.00 0.00 H new ATOM 0 HB3 GLN A 152 3.285 -1.148 12.820 1.00 0.00 H new ATOM 0 HG2 GLN A 152 0.634 -0.957 11.417 1.00 0.00 H new ATOM 0 HG3 GLN A 152 1.589 0.512 11.451 1.00 0.00 H new ATOM 0 HE21 GLN A 152 2.160 0.401 9.166 1.00 0.00 H new ATOM 0 HE22 GLN A 152 3.261 -0.840 8.557 1.00 0.00 H new ATOM 856 N LYS A 153 1.431 -2.250 15.841 1.00 0.00 N ATOM 857 CA LYS A 153 1.960 -2.591 17.197 1.00 0.00 C ATOM 858 C LYS A 153 1.285 -3.856 17.736 1.00 0.00 C ATOM 859 O LYS A 153 1.852 -4.564 18.548 1.00 0.00 O ATOM 860 CB LYS A 153 1.691 -1.428 18.154 1.00 0.00 C ATOM 861 CG LYS A 153 2.510 -0.208 17.723 1.00 0.00 C ATOM 862 CD LYS A 153 3.972 -0.404 18.129 1.00 0.00 C ATOM 863 CE LYS A 153 4.870 0.455 17.238 1.00 0.00 C ATOM 864 NZ LYS A 153 6.114 0.809 17.979 1.00 0.00 N ATOM 0 H LYS A 153 0.555 -1.727 15.836 1.00 0.00 H new ATOM 0 HA LYS A 153 3.032 -2.770 17.119 1.00 0.00 H new ATOM 0 HB2 LYS A 153 0.629 -1.183 18.156 1.00 0.00 H new ATOM 0 HB3 LYS A 153 1.954 -1.714 19.173 1.00 0.00 H new ATOM 0 HG2 LYS A 153 2.437 -0.070 16.644 1.00 0.00 H new ATOM 0 HG3 LYS A 153 2.111 0.694 18.187 1.00 0.00 H new ATOM 0 HD2 LYS A 153 4.110 -0.129 19.175 1.00 0.00 H new ATOM 0 HD3 LYS A 153 4.248 -1.454 18.037 1.00 0.00 H new ATOM 0 HE2 LYS A 153 5.119 -0.086 16.325 1.00 0.00 H new ATOM 0 HE3 LYS A 153 4.343 1.361 16.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 6.725 1.393 17.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 5.867 1.341 18.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 6.619 -0.060 18.244 1.00 0.00 H new ATOM 878 N ILE A 154 0.078 -4.144 17.306 1.00 0.00 N ATOM 879 CA ILE A 154 -0.625 -5.362 17.816 1.00 0.00 C ATOM 880 C ILE A 154 -1.028 -6.277 16.649 1.00 0.00 C ATOM 881 O ILE A 154 -0.711 -7.452 16.647 1.00 0.00 O ATOM 882 CB ILE A 154 -1.870 -4.934 18.605 1.00 0.00 C ATOM 883 CG1 ILE A 154 -1.446 -4.037 19.773 1.00 0.00 C ATOM 884 CG2 ILE A 154 -2.589 -6.170 19.159 1.00 0.00 C ATOM 885 CD1 ILE A 154 -1.552 -2.570 19.360 1.00 0.00 C ATOM 0 H ILE A 154 -0.447 -3.591 16.628 1.00 0.00 H new ATOM 0 HA ILE A 154 0.048 -5.917 18.470 1.00 0.00 H new ATOM 0 HB ILE A 154 -2.543 -4.391 17.942 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -2.080 -4.228 20.639 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -0.423 -4.268 20.069 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -3.471 -5.858 19.718 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -2.891 -6.815 18.334 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -1.916 -6.717 19.820 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -1.250 -1.935 20.193 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -0.900 -2.384 18.507 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -2.582 -2.343 19.086 1.00 0.00 H new ATOM 897 N HIS A 155 -1.730 -5.759 15.670 1.00 0.00 N ATOM 898 CA HIS A 155 -2.156 -6.616 14.523 1.00 0.00 C ATOM 899 C HIS A 155 -0.965 -6.862 13.591 1.00 0.00 C ATOM 900 O HIS A 155 -0.347 -7.910 13.631 1.00 0.00 O ATOM 901 CB HIS A 155 -3.288 -5.923 13.756 1.00 0.00 C ATOM 902 CG HIS A 155 -4.498 -5.812 14.643 1.00 0.00 C ATOM 903 ND1 HIS A 155 -5.237 -6.920 15.030 1.00 0.00 N ATOM 904 CD2 HIS A 155 -5.111 -4.731 15.226 1.00 0.00 C ATOM 905 CE1 HIS A 155 -6.242 -6.485 15.811 1.00 0.00 C ATOM 906 NE2 HIS A 155 -6.212 -5.158 15.963 1.00 0.00 N ATOM 0 H HIS A 155 -2.025 -4.784 15.617 1.00 0.00 H new ATOM 0 HA HIS A 155 -2.515 -7.574 14.900 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -2.969 -4.932 13.432 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -3.533 -6.489 12.857 1.00 0.00 H new ATOM 0 HD1 HIS A 155 -5.052 -7.889 14.770 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -4.788 -3.705 15.128 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -6.983 -7.130 16.260 1.00 0.00 H new