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 70:sc= 0.0956 USER MOD Set 1.2: A 137 CYS SG : rot -55:sc= -1.14 USER MOD Set 1.3: A 150 HIS : no HD1:sc= -0.851 K(o=-4.7,f=-18!) USER MOD Set 1.4: A 155 HIS : no HD1:sc= -2.78 K(o=-4.7,f=-7.4) USER MOD Set 2.1: A 106 CYS SG : rot 33:sc= -0.646 USER MOD Set 2.2: A 109 CYS SG : rot 180:sc= -1 USER MOD Set 2.3: A 122 HIS : no HE2:sc= 0.146 K(o=-4.4,f=-16!) USER MOD Set 2.4: A 126 HIS : no HD1:sc= -2.9 K(o=-4.4,f=-19!) USER MOD Single : A 110 THR OG1 : rot -2:sc= 0.481 USER MOD Single : A 116 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 118 HIS : no HD1:sc= -0.267 K(o=-0.27,f=-0.77) 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 USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 ASN : amide:sc= 0 X(o=0,f=0.41) USER MOD Single : A 142 THR OG1 : rot 180:sc= 0 USER MOD Single : A 152 GLN : amide:sc= -8.39! C(o=-8.4!,f=-14!) USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 36 N PHE A 104 -37.989 17.368 14.916 1.00 0.00 N ATOM 37 CA PHE A 104 -36.776 16.502 14.912 1.00 0.00 C ATOM 38 C PHE A 104 -35.824 16.979 13.816 1.00 0.00 C ATOM 39 O PHE A 104 -35.679 16.356 12.780 1.00 0.00 O ATOM 40 CB PHE A 104 -37.176 15.049 14.653 1.00 0.00 C ATOM 41 CG PHE A 104 -38.056 14.559 15.778 1.00 0.00 C ATOM 42 CD1 PHE A 104 -39.444 14.719 15.702 1.00 0.00 C ATOM 43 CD2 PHE A 104 -37.483 13.945 16.898 1.00 0.00 C ATOM 44 CE1 PHE A 104 -40.260 14.266 16.746 1.00 0.00 C ATOM 45 CE2 PHE A 104 -38.298 13.492 17.942 1.00 0.00 C ATOM 46 CZ PHE A 104 -39.687 13.652 17.866 1.00 0.00 C ATOM 0 HA PHE A 104 -36.280 16.564 15.881 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -37.705 14.970 13.703 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -36.286 14.424 14.575 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -39.886 15.192 14.838 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -36.412 13.821 16.957 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -41.331 14.390 16.687 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -37.855 13.019 18.806 1.00 0.00 H new ATOM 0 HZ PHE A 104 -40.316 13.302 18.671 1.00 0.00 H new ATOM 56 N VAL A 105 -35.176 18.087 14.048 1.00 0.00 N ATOM 57 CA VAL A 105 -34.218 18.636 13.040 1.00 0.00 C ATOM 58 C VAL A 105 -32.854 17.969 13.239 1.00 0.00 C ATOM 59 O VAL A 105 -32.379 17.823 14.349 1.00 0.00 O ATOM 60 CB VAL A 105 -34.108 20.169 13.210 1.00 0.00 C ATOM 61 CG1 VAL A 105 -33.861 20.516 14.681 1.00 0.00 C ATOM 62 CG2 VAL A 105 -32.957 20.731 12.358 1.00 0.00 C ATOM 0 H VAL A 105 -35.268 18.642 14.899 1.00 0.00 H new ATOM 0 HA VAL A 105 -34.573 18.428 12.031 1.00 0.00 H new ATOM 0 HB VAL A 105 -35.045 20.616 12.878 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -33.785 21.598 14.792 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -34.689 20.147 15.286 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -32.933 20.051 15.014 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -32.898 21.811 12.493 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -32.017 20.275 12.669 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -33.139 20.506 11.307 1.00 0.00 H new ATOM 72 N CYS A 106 -32.223 17.573 12.163 1.00 0.00 N ATOM 73 CA CYS A 106 -30.885 16.923 12.270 1.00 0.00 C ATOM 74 C CYS A 106 -29.891 17.919 12.872 1.00 0.00 C ATOM 75 O CYS A 106 -29.967 19.107 12.624 1.00 0.00 O ATOM 76 CB CYS A 106 -30.410 16.499 10.878 1.00 0.00 C ATOM 77 SG CYS A 106 -28.886 15.533 11.024 1.00 0.00 S ATOM 0 H CYS A 106 -32.579 17.673 11.213 1.00 0.00 H new ATOM 0 HA CYS A 106 -30.953 16.043 12.909 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -31.181 15.908 10.384 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -30.237 17.379 10.258 1.00 0.00 H new ATOM 0 HG CYS A 106 -28.911 14.848 12.128 1.00 0.00 H new ATOM 82 N GLU A 107 -28.962 17.442 13.665 1.00 0.00 N ATOM 83 CA GLU A 107 -27.963 18.360 14.292 1.00 0.00 C ATOM 84 C GLU A 107 -26.721 18.490 13.401 1.00 0.00 C ATOM 85 O GLU A 107 -25.647 18.809 13.877 1.00 0.00 O ATOM 86 CB GLU A 107 -27.552 17.805 15.657 1.00 0.00 C ATOM 87 CG GLU A 107 -28.704 17.980 16.646 1.00 0.00 C ATOM 88 CD GLU A 107 -28.144 18.151 18.059 1.00 0.00 C ATOM 89 OE1 GLU A 107 -27.311 19.024 18.243 1.00 0.00 O ATOM 90 OE2 GLU A 107 -28.557 17.408 18.933 1.00 0.00 O ATOM 0 H GLU A 107 -28.853 16.456 13.904 1.00 0.00 H new ATOM 0 HA GLU A 107 -28.415 19.345 14.411 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -27.291 16.750 15.569 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -26.665 18.324 16.020 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -29.302 18.849 16.373 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -29.365 17.114 16.608 1.00 0.00 H new ATOM 97 N VAL A 108 -26.850 18.245 12.118 1.00 0.00 N ATOM 98 CA VAL A 108 -25.669 18.358 11.213 1.00 0.00 C ATOM 99 C VAL A 108 -26.048 19.163 9.970 1.00 0.00 C ATOM 100 O VAL A 108 -25.312 20.031 9.537 1.00 0.00 O ATOM 101 CB VAL A 108 -25.205 16.959 10.795 1.00 0.00 C ATOM 102 CG1 VAL A 108 -23.875 17.064 10.046 1.00 0.00 C ATOM 103 CG2 VAL A 108 -25.016 16.089 12.041 1.00 0.00 C ATOM 0 H VAL A 108 -27.721 17.973 11.663 1.00 0.00 H new ATOM 0 HA VAL A 108 -24.861 18.865 11.739 1.00 0.00 H new ATOM 0 HB VAL A 108 -25.956 16.509 10.145 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -23.545 16.069 9.749 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -24.005 17.683 9.158 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -23.126 17.515 10.696 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -24.686 15.094 11.743 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -24.266 16.541 12.690 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -25.961 16.012 12.578 1.00 0.00 H new ATOM 113 N CYS A 109 -27.190 18.886 9.394 1.00 0.00 N ATOM 114 CA CYS A 109 -27.618 19.639 8.177 1.00 0.00 C ATOM 115 C CYS A 109 -28.846 20.507 8.484 1.00 0.00 C ATOM 116 O CYS A 109 -29.449 21.061 7.587 1.00 0.00 O ATOM 117 CB CYS A 109 -27.955 18.652 7.054 1.00 0.00 C ATOM 118 SG CYS A 109 -29.207 17.475 7.625 1.00 0.00 S ATOM 0 H CYS A 109 -27.844 18.171 9.714 1.00 0.00 H new ATOM 0 HA CYS A 109 -26.801 20.288 7.863 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -28.322 19.192 6.181 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -27.056 18.119 6.744 1.00 0.00 H new ATOM 0 HG CYS A 109 -29.489 16.642 6.667 1.00 0.00 H new ATOM 123 N THR A 110 -29.222 20.636 9.742 1.00 0.00 N ATOM 124 CA THR A 110 -30.414 21.477 10.108 1.00 0.00 C ATOM 125 C THR A 110 -31.622 21.109 9.231 1.00 0.00 C ATOM 126 O THR A 110 -32.252 21.960 8.629 1.00 0.00 O ATOM 127 CB THR A 110 -30.077 22.965 9.929 1.00 0.00 C ATOM 128 OG1 THR A 110 -29.984 23.271 8.545 1.00 0.00 O ATOM 129 CG2 THR A 110 -28.746 23.284 10.615 1.00 0.00 C ATOM 0 H THR A 110 -28.752 20.193 10.532 1.00 0.00 H new ATOM 0 HA THR A 110 -30.668 21.286 11.151 1.00 0.00 H new ATOM 0 HB THR A 110 -30.866 23.566 10.381 1.00 0.00 H new ATOM 0 HG1 THR A 110 -30.121 22.455 8.020 1.00 0.00 H new ATOM 0 HG21 THR A 110 -28.513 24.341 10.484 1.00 0.00 H new ATOM 0 HG22 THR A 110 -28.822 23.058 11.679 1.00 0.00 H new ATOM 0 HG23 THR A 110 -27.954 22.680 10.171 1.00 0.00 H new ATOM 137 N ARG A 111 -31.940 19.842 9.152 1.00 0.00 N ATOM 138 CA ARG A 111 -33.096 19.402 8.314 1.00 0.00 C ATOM 139 C ARG A 111 -34.391 19.549 9.115 1.00 0.00 C ATOM 140 O ARG A 111 -34.431 20.234 10.118 1.00 0.00 O ATOM 141 CB ARG A 111 -32.902 17.935 7.910 1.00 0.00 C ATOM 142 CG ARG A 111 -33.397 17.726 6.477 1.00 0.00 C ATOM 143 CD ARG A 111 -32.254 17.985 5.497 1.00 0.00 C ATOM 144 NE ARG A 111 -32.809 18.473 4.203 1.00 0.00 N ATOM 145 CZ ARG A 111 -32.027 18.618 3.170 1.00 0.00 C ATOM 146 NH1 ARG A 111 -30.913 19.289 3.284 1.00 0.00 N ATOM 147 NH2 ARG A 111 -32.357 18.091 2.022 1.00 0.00 N ATOM 0 H ARG A 111 -31.447 19.090 9.634 1.00 0.00 H new ATOM 0 HA ARG A 111 -33.155 20.020 7.418 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -31.849 17.663 7.985 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -33.449 17.284 8.593 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -33.770 16.709 6.355 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -34.229 18.398 6.267 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -31.566 18.722 5.911 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -31.683 17.070 5.338 1.00 0.00 H new ATOM 0 HE ARG A 111 -33.802 18.694 4.125 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -30.655 19.700 4.181 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -30.301 19.403 2.476 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -33.227 17.566 1.933 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -31.745 18.205 1.214 1.00 0.00 H new ATOM 161 N ALA A 112 -35.450 18.913 8.680 1.00 0.00 N ATOM 162 CA ALA A 112 -36.741 19.018 9.419 1.00 0.00 C ATOM 163 C ALA A 112 -37.552 17.736 9.221 1.00 0.00 C ATOM 164 O ALA A 112 -38.245 17.578 8.233 1.00 0.00 O ATOM 165 CB ALA A 112 -37.538 20.212 8.893 1.00 0.00 C ATOM 0 H ALA A 112 -35.474 18.327 7.846 1.00 0.00 H new ATOM 0 HA ALA A 112 -36.538 19.158 10.481 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -38.481 20.287 9.434 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -36.962 21.126 9.039 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -37.739 20.075 7.831 1.00 0.00 H new ATOM 171 N PHE A 113 -37.475 16.826 10.157 1.00 0.00 N ATOM 172 CA PHE A 113 -38.243 15.552 10.035 1.00 0.00 C ATOM 173 C PHE A 113 -39.364 15.536 11.074 1.00 0.00 C ATOM 174 O PHE A 113 -39.151 15.845 12.232 1.00 0.00 O ATOM 175 CB PHE A 113 -37.311 14.363 10.273 1.00 0.00 C ATOM 176 CG PHE A 113 -36.346 14.238 9.120 1.00 0.00 C ATOM 177 CD1 PHE A 113 -35.136 14.943 9.138 1.00 0.00 C ATOM 178 CD2 PHE A 113 -36.661 13.416 8.031 1.00 0.00 C ATOM 179 CE1 PHE A 113 -34.242 14.826 8.068 1.00 0.00 C ATOM 180 CE2 PHE A 113 -35.765 13.299 6.961 1.00 0.00 C ATOM 181 CZ PHE A 113 -34.557 14.004 6.979 1.00 0.00 C ATOM 0 H PHE A 113 -36.912 16.911 11.003 1.00 0.00 H new ATOM 0 HA PHE A 113 -38.669 15.480 9.034 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -36.763 14.498 11.206 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -37.893 13.447 10.375 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -34.893 15.577 9.978 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -37.594 12.873 8.016 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -33.309 15.370 8.082 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -36.007 12.664 6.121 1.00 0.00 H new ATOM 0 HZ PHE A 113 -33.867 13.914 6.153 1.00 0.00 H new ATOM 191 N ALA A 114 -40.555 15.178 10.670 1.00 0.00 N ATOM 192 CA ALA A 114 -41.696 15.138 11.629 1.00 0.00 C ATOM 193 C ALA A 114 -41.652 13.833 12.431 1.00 0.00 C ATOM 194 O ALA A 114 -42.162 13.759 13.533 1.00 0.00 O ATOM 195 CB ALA A 114 -43.014 15.216 10.856 1.00 0.00 C ATOM 0 H ALA A 114 -40.786 14.911 9.713 1.00 0.00 H new ATOM 0 HA ALA A 114 -41.622 15.984 12.312 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -43.849 15.187 11.556 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -43.049 16.146 10.289 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -43.085 14.371 10.172 1.00 0.00 H new ATOM 201 N ARG A 115 -41.045 12.804 11.889 1.00 0.00 N ATOM 202 CA ARG A 115 -40.966 11.506 12.619 1.00 0.00 C ATOM 203 C ARG A 115 -39.510 11.209 12.981 1.00 0.00 C ATOM 204 O ARG A 115 -38.598 11.550 12.253 1.00 0.00 O ATOM 205 CB ARG A 115 -41.511 10.386 11.729 1.00 0.00 C ATOM 206 CG ARG A 115 -42.933 10.735 11.280 1.00 0.00 C ATOM 207 CD ARG A 115 -42.891 11.388 9.896 1.00 0.00 C ATOM 208 NE ARG A 115 -43.195 10.365 8.854 1.00 0.00 N ATOM 209 CZ ARG A 115 -44.291 10.454 8.152 1.00 0.00 C ATOM 210 NH1 ARG A 115 -45.447 10.243 8.720 1.00 0.00 N ATOM 211 NH2 ARG A 115 -44.232 10.752 6.883 1.00 0.00 N ATOM 0 H ARG A 115 -40.601 12.811 10.971 1.00 0.00 H new ATOM 0 HA ARG A 115 -41.560 11.567 13.531 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -40.867 10.252 10.860 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -41.512 9.442 12.274 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -43.546 9.835 11.249 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -43.396 11.412 11.998 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -43.614 12.202 9.844 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -41.908 11.824 9.717 1.00 0.00 H new ATOM 0 HE ARG A 115 -42.546 9.596 8.690 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -45.493 10.009 9.712 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -46.305 10.312 8.172 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -43.328 10.916 6.439 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -45.089 10.821 6.335 1.00 0.00 H new ATOM 225 N GLN A 116 -39.289 10.576 14.106 1.00 0.00 N ATOM 226 CA GLN A 116 -37.896 10.250 14.531 1.00 0.00 C ATOM 227 C GLN A 116 -37.456 8.917 13.913 1.00 0.00 C ATOM 228 O GLN A 116 -36.276 8.644 13.801 1.00 0.00 O ATOM 229 CB GLN A 116 -37.844 10.145 16.056 1.00 0.00 C ATOM 230 CG GLN A 116 -36.388 10.041 16.513 1.00 0.00 C ATOM 231 CD GLN A 116 -36.311 10.259 18.025 1.00 0.00 C ATOM 232 OE1 GLN A 116 -37.263 10.006 18.737 1.00 0.00 O ATOM 233 NE2 GLN A 116 -35.208 10.719 18.550 1.00 0.00 N ATOM 0 H GLN A 116 -40.018 10.270 14.750 1.00 0.00 H new ATOM 0 HA GLN A 116 -37.224 11.039 14.192 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -38.316 11.018 16.507 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -38.404 9.271 16.390 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -35.984 9.062 16.255 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -35.780 10.783 15.996 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -34.409 10.931 17.953 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -35.145 10.866 19.557 1.00 0.00 H new ATOM 242 N GLU A 117 -38.390 8.087 13.517 1.00 0.00 N ATOM 243 CA GLU A 117 -38.023 6.773 12.912 1.00 0.00 C ATOM 244 C GLU A 117 -37.253 7.003 11.610 1.00 0.00 C ATOM 245 O GLU A 117 -36.199 6.435 11.393 1.00 0.00 O ATOM 246 CB GLU A 117 -39.294 5.976 12.611 1.00 0.00 C ATOM 247 CG GLU A 117 -40.119 5.821 13.891 1.00 0.00 C ATOM 248 CD GLU A 117 -39.798 4.479 14.550 1.00 0.00 C ATOM 249 OE1 GLU A 117 -40.060 3.460 13.931 1.00 0.00 O ATOM 250 OE2 GLU A 117 -39.295 4.492 15.661 1.00 0.00 O ATOM 0 H GLU A 117 -39.392 8.265 13.588 1.00 0.00 H new ATOM 0 HA GLU A 117 -37.398 6.218 13.612 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -39.882 6.485 11.847 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -39.034 4.995 12.213 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -39.898 6.637 14.579 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -41.183 5.878 13.659 1.00 0.00 H new ATOM 257 N HIS A 118 -37.776 7.831 10.741 1.00 0.00 N ATOM 258 CA HIS A 118 -37.087 8.103 9.446 1.00 0.00 C ATOM 259 C HIS A 118 -35.783 8.864 9.704 1.00 0.00 C ATOM 260 O HIS A 118 -34.794 8.661 9.026 1.00 0.00 O ATOM 261 CB HIS A 118 -38.000 8.945 8.551 1.00 0.00 C ATOM 262 CG HIS A 118 -39.200 8.130 8.153 1.00 0.00 C ATOM 263 ND1 HIS A 118 -40.447 8.700 7.953 1.00 0.00 N ATOM 264 CD2 HIS A 118 -39.356 6.788 7.912 1.00 0.00 C ATOM 265 CE1 HIS A 118 -41.293 7.711 7.609 1.00 0.00 C ATOM 266 NE2 HIS A 118 -40.679 6.525 7.569 1.00 0.00 N ATOM 0 H HIS A 118 -38.655 8.332 10.875 1.00 0.00 H new ATOM 0 HA HIS A 118 -36.861 7.158 8.952 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -38.317 9.844 9.079 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -37.458 9.271 7.664 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -38.572 6.049 7.978 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -42.341 7.858 7.392 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -41.091 5.621 7.337 1.00 0.00 H new ATOM 274 N LEU A 119 -35.780 9.737 10.678 1.00 0.00 N ATOM 275 CA LEU A 119 -34.554 10.519 10.990 1.00 0.00 C ATOM 276 C LEU A 119 -33.459 9.591 11.524 1.00 0.00 C ATOM 277 O LEU A 119 -32.284 9.886 11.421 1.00 0.00 O ATOM 278 CB LEU A 119 -34.890 11.571 12.053 1.00 0.00 C ATOM 279 CG LEU A 119 -34.110 12.858 11.778 1.00 0.00 C ATOM 280 CD1 LEU A 119 -34.470 13.898 12.838 1.00 0.00 C ATOM 281 CD2 LEU A 119 -32.609 12.575 11.841 1.00 0.00 C ATOM 0 H LEU A 119 -36.583 9.941 11.273 1.00 0.00 H new ATOM 0 HA LEU A 119 -34.196 11.005 10.082 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -35.960 11.776 12.048 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -34.643 11.191 13.044 1.00 0.00 H new ATOM 0 HG LEU A 119 -34.366 13.233 10.787 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -33.917 14.818 12.648 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -35.540 14.103 12.798 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -34.210 13.516 13.825 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -32.057 13.494 11.645 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -32.351 12.201 12.832 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -32.348 11.828 11.092 1.00 0.00 H new ATOM 293 N LYS A 120 -33.835 8.476 12.102 1.00 0.00 N ATOM 294 CA LYS A 120 -32.815 7.532 12.655 1.00 0.00 C ATOM 295 C LYS A 120 -31.892 7.048 11.532 1.00 0.00 C ATOM 296 O LYS A 120 -30.683 7.092 11.654 1.00 0.00 O ATOM 297 CB LYS A 120 -33.521 6.331 13.288 1.00 0.00 C ATOM 298 CG LYS A 120 -33.740 6.594 14.779 1.00 0.00 C ATOM 299 CD LYS A 120 -34.845 5.676 15.303 1.00 0.00 C ATOM 300 CE LYS A 120 -34.299 4.256 15.459 1.00 0.00 C ATOM 301 NZ LYS A 120 -35.428 3.283 15.439 1.00 0.00 N ATOM 0 H LYS A 120 -34.804 8.179 12.215 1.00 0.00 H new ATOM 0 HA LYS A 120 -32.222 8.047 13.411 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -34.477 6.156 12.795 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -32.922 5.430 13.151 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -32.816 6.419 15.329 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -34.013 7.637 14.939 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -35.213 6.043 16.261 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -35.691 5.678 14.615 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -33.599 4.034 14.653 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -33.746 4.168 16.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -35.056 2.318 15.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -36.080 3.491 16.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -35.937 3.360 14.535 1.00 0.00 H new ATOM 315 N ARG A 121 -32.454 6.586 10.444 1.00 0.00 N ATOM 316 CA ARG A 121 -31.614 6.097 9.310 1.00 0.00 C ATOM 317 C ARG A 121 -30.834 7.270 8.714 1.00 0.00 C ATOM 318 O ARG A 121 -29.710 7.121 8.273 1.00 0.00 O ATOM 319 CB ARG A 121 -32.515 5.484 8.236 1.00 0.00 C ATOM 320 CG ARG A 121 -31.669 4.638 7.282 1.00 0.00 C ATOM 321 CD ARG A 121 -32.571 3.655 6.535 1.00 0.00 C ATOM 322 NE ARG A 121 -31.799 3.009 5.436 1.00 0.00 N ATOM 323 CZ ARG A 121 -31.394 3.719 4.418 1.00 0.00 C ATOM 324 NH1 ARG A 121 -32.245 4.083 3.498 1.00 0.00 N ATOM 325 NH2 ARG A 121 -30.139 4.063 4.321 1.00 0.00 N ATOM 0 H ARG A 121 -33.461 6.526 10.292 1.00 0.00 H new ATOM 0 HA ARG A 121 -30.916 5.342 9.672 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -33.285 4.868 8.700 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -33.028 6.271 7.683 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -31.149 5.282 6.573 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -30.906 4.096 7.840 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -32.949 2.898 7.222 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -33.437 4.177 6.128 1.00 0.00 H new ATOM 0 HE ARG A 121 -31.587 2.012 5.479 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -33.226 3.813 3.575 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -31.930 4.638 2.702 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -29.475 3.777 5.040 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -29.822 4.618 3.526 1.00 0.00 H new ATOM 339 N HIS A 122 -31.427 8.436 8.697 1.00 0.00 N ATOM 340 CA HIS A 122 -30.736 9.633 8.134 1.00 0.00 C ATOM 341 C HIS A 122 -29.591 10.051 9.078 1.00 0.00 C ATOM 342 O HIS A 122 -28.685 10.759 8.681 1.00 0.00 O ATOM 343 CB HIS A 122 -31.763 10.772 7.985 1.00 0.00 C ATOM 344 CG HIS A 122 -31.083 12.067 7.609 1.00 0.00 C ATOM 345 ND1 HIS A 122 -30.730 12.366 6.302 1.00 0.00 N ATOM 346 CD2 HIS A 122 -30.688 13.147 8.361 1.00 0.00 C ATOM 347 CE1 HIS A 122 -30.152 13.581 6.307 1.00 0.00 C ATOM 348 NE2 HIS A 122 -30.101 14.101 7.536 1.00 0.00 N ATOM 0 H HIS A 122 -32.367 8.611 9.052 1.00 0.00 H new ATOM 0 HA HIS A 122 -30.312 9.405 7.156 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -32.497 10.508 7.223 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -32.307 10.901 8.921 1.00 0.00 H new ATOM 0 HD1 HIS A 122 -30.881 11.773 5.486 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -30.814 13.241 9.430 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -29.775 14.076 5.424 1.00 0.00 H new ATOM 356 N TYR A 123 -29.630 9.626 10.321 1.00 0.00 N ATOM 357 CA TYR A 123 -28.550 10.005 11.281 1.00 0.00 C ATOM 358 C TYR A 123 -27.519 8.877 11.371 1.00 0.00 C ATOM 359 O TYR A 123 -26.924 8.654 12.409 1.00 0.00 O ATOM 360 CB TYR A 123 -29.165 10.243 12.662 1.00 0.00 C ATOM 361 CG TYR A 123 -28.385 11.314 13.387 1.00 0.00 C ATOM 362 CD1 TYR A 123 -28.268 12.593 12.831 1.00 0.00 C ATOM 363 CD2 TYR A 123 -27.780 11.026 14.616 1.00 0.00 C ATOM 364 CE1 TYR A 123 -27.546 13.585 13.505 1.00 0.00 C ATOM 365 CE2 TYR A 123 -27.059 12.018 15.290 1.00 0.00 C ATOM 366 CZ TYR A 123 -26.941 13.298 14.735 1.00 0.00 C ATOM 367 OH TYR A 123 -26.229 14.275 15.398 1.00 0.00 O ATOM 0 H TYR A 123 -30.364 9.033 10.709 1.00 0.00 H new ATOM 0 HA TYR A 123 -28.059 10.914 10.934 1.00 0.00 H new ATOM 0 HB2 TYR A 123 -30.207 10.545 12.560 1.00 0.00 H new ATOM 0 HB3 TYR A 123 -29.156 9.319 13.239 1.00 0.00 H new ATOM 0 HD1 TYR A 123 -28.734 12.815 11.882 1.00 0.00 H new ATOM 0 HD2 TYR A 123 -27.870 10.038 15.044 1.00 0.00 H new ATOM 0 HE1 TYR A 123 -27.455 14.572 13.076 1.00 0.00 H new ATOM 0 HE2 TYR A 123 -26.593 11.796 16.239 1.00 0.00 H new ATOM 0 HH TYR A 123 -25.876 13.910 16.236 1.00 0.00 H new ATOM 377 N ARG A 124 -27.304 8.166 10.294 1.00 0.00 N ATOM 378 CA ARG A 124 -26.312 7.051 10.311 1.00 0.00 C ATOM 379 C ARG A 124 -25.031 7.493 9.599 1.00 0.00 C ATOM 380 O ARG A 124 -23.949 7.033 9.911 1.00 0.00 O ATOM 381 CB ARG A 124 -26.900 5.833 9.594 1.00 0.00 C ATOM 382 CG ARG A 124 -26.284 4.555 10.166 1.00 0.00 C ATOM 383 CD ARG A 124 -27.155 4.034 11.310 1.00 0.00 C ATOM 384 NE ARG A 124 -28.414 3.464 10.756 1.00 0.00 N ATOM 385 CZ ARG A 124 -28.585 2.170 10.718 1.00 0.00 C ATOM 386 NH1 ARG A 124 -27.952 1.456 9.828 1.00 0.00 N ATOM 387 NH2 ARG A 124 -29.386 1.592 11.569 1.00 0.00 N ATOM 0 H ARG A 124 -27.775 8.311 9.401 1.00 0.00 H new ATOM 0 HA ARG A 124 -26.080 6.789 11.343 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -27.983 5.814 9.717 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -26.702 5.897 8.524 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -26.200 3.799 9.386 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -25.275 4.755 10.526 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -26.616 3.273 11.874 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -27.384 4.843 12.004 1.00 0.00 H new ATOM 0 HE ARG A 124 -29.144 4.085 10.406 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -27.325 1.909 9.163 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -28.084 0.445 9.797 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -29.880 2.151 12.265 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -29.519 0.581 11.539 1.00 0.00 H new ATOM 401 N SER A 125 -25.147 8.382 8.646 1.00 0.00 N ATOM 402 CA SER A 125 -23.941 8.862 7.907 1.00 0.00 C ATOM 403 C SER A 125 -23.471 10.201 8.489 1.00 0.00 C ATOM 404 O SER A 125 -22.324 10.577 8.339 1.00 0.00 O ATOM 405 CB SER A 125 -24.290 9.044 6.430 1.00 0.00 C ATOM 406 OG SER A 125 -25.230 10.101 6.295 1.00 0.00 O ATOM 0 H SER A 125 -26.029 8.798 8.347 1.00 0.00 H new ATOM 0 HA SER A 125 -23.142 8.127 8.008 1.00 0.00 H new ATOM 0 HB2 SER A 125 -23.390 9.267 5.857 1.00 0.00 H new ATOM 0 HB3 SER A 125 -24.704 8.120 6.026 1.00 0.00 H new ATOM 0 HG SER A 125 -25.454 10.221 5.348 1.00 0.00 H new ATOM 412 N HIS A 126 -24.346 10.925 9.147 1.00 0.00 N ATOM 413 CA HIS A 126 -23.950 12.240 9.736 1.00 0.00 C ATOM 414 C HIS A 126 -22.828 12.034 10.756 1.00 0.00 C ATOM 415 O HIS A 126 -21.715 12.487 10.566 1.00 0.00 O ATOM 416 CB HIS A 126 -25.158 12.867 10.434 1.00 0.00 C ATOM 417 CG HIS A 126 -25.948 13.677 9.445 1.00 0.00 C ATOM 418 ND1 HIS A 126 -25.383 14.709 8.711 1.00 0.00 N ATOM 419 CD2 HIS A 126 -27.265 13.622 9.061 1.00 0.00 C ATOM 420 CE1 HIS A 126 -26.349 15.228 7.933 1.00 0.00 C ATOM 421 NE2 HIS A 126 -27.516 14.603 8.107 1.00 0.00 N ATOM 0 H HIS A 126 -25.319 10.659 9.301 1.00 0.00 H new ATOM 0 HA HIS A 126 -23.600 12.899 8.942 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -25.786 12.088 10.865 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -24.827 13.501 11.256 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -27.995 12.923 9.442 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -26.199 16.051 7.250 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -28.401 14.802 7.641 1.00 0.00 H new ATOM 508 N TYR A 132 -11.820 7.211 12.162 1.00 0.00 N ATOM 509 CA TYR A 132 -10.870 6.109 11.829 1.00 0.00 C ATOM 510 C TYR A 132 -11.154 4.884 12.722 1.00 0.00 C ATOM 511 O TYR A 132 -10.400 4.605 13.634 1.00 0.00 O ATOM 512 CB TYR A 132 -9.433 6.593 12.051 1.00 0.00 C ATOM 513 CG TYR A 132 -9.203 7.862 11.266 1.00 0.00 C ATOM 514 CD1 TYR A 132 -9.038 7.806 9.877 1.00 0.00 C ATOM 515 CD2 TYR A 132 -9.157 9.095 11.927 1.00 0.00 C ATOM 516 CE1 TYR A 132 -8.826 8.982 9.149 1.00 0.00 C ATOM 517 CE2 TYR A 132 -8.947 10.273 11.199 1.00 0.00 C ATOM 518 CZ TYR A 132 -8.780 10.216 9.811 1.00 0.00 C ATOM 519 OH TYR A 132 -8.573 11.376 9.092 1.00 0.00 O ATOM 0 HA TYR A 132 -10.999 5.823 10.785 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -9.258 6.772 13.112 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -8.726 5.825 11.737 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -9.074 6.855 9.367 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -9.283 9.138 12.999 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -8.698 8.939 8.078 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -8.914 11.225 11.709 1.00 0.00 H new ATOM 0 HH TYR A 132 -8.570 12.143 9.702 1.00 0.00 H new ATOM 529 N PRO A 133 -12.234 4.176 12.438 1.00 0.00 N ATOM 530 CA PRO A 133 -12.605 2.979 13.215 1.00 0.00 C ATOM 531 C PRO A 133 -11.748 1.782 12.789 1.00 0.00 C ATOM 532 O PRO A 133 -11.539 1.547 11.614 1.00 0.00 O ATOM 533 CB PRO A 133 -14.076 2.751 12.851 1.00 0.00 C ATOM 534 CG PRO A 133 -14.303 3.450 11.490 1.00 0.00 C ATOM 535 CD PRO A 133 -13.180 4.491 11.338 1.00 0.00 C ATOM 0 HA PRO A 133 -12.452 3.100 14.287 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -14.298 1.686 12.782 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -14.734 3.166 13.615 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -14.275 2.728 10.674 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -15.282 3.929 11.459 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -12.697 4.415 10.364 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -13.565 5.507 11.424 1.00 0.00 H new ATOM 543 N CYS A 134 -11.253 1.027 13.737 1.00 0.00 N ATOM 544 CA CYS A 134 -10.408 -0.156 13.398 1.00 0.00 C ATOM 545 C CYS A 134 -11.252 -1.175 12.628 1.00 0.00 C ATOM 546 O CYS A 134 -12.467 -1.168 12.703 1.00 0.00 O ATOM 547 CB CYS A 134 -9.885 -0.794 14.686 1.00 0.00 C ATOM 548 SG CYS A 134 -8.542 -1.943 14.293 1.00 0.00 S ATOM 0 H CYS A 134 -11.399 1.181 14.735 1.00 0.00 H new ATOM 0 HA CYS A 134 -9.565 0.159 12.783 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -9.529 -0.022 15.368 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -10.691 -1.322 15.196 1.00 0.00 H new ATOM 0 HG CYS A 134 -7.498 -1.273 13.903 1.00 0.00 H new ATOM 553 N GLY A 135 -10.617 -2.050 11.888 1.00 0.00 N ATOM 554 CA GLY A 135 -11.379 -3.071 11.108 1.00 0.00 C ATOM 555 C GLY A 135 -10.768 -4.459 11.324 1.00 0.00 C ATOM 556 O GLY A 135 -10.908 -5.337 10.492 1.00 0.00 O ATOM 0 H GLY A 135 -9.603 -2.101 11.791 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -12.424 -3.072 11.418 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -11.362 -2.818 10.048 1.00 0.00 H new ATOM 560 N LEU A 136 -10.099 -4.667 12.430 1.00 0.00 N ATOM 561 CA LEU A 136 -9.482 -6.001 12.698 1.00 0.00 C ATOM 562 C LEU A 136 -9.954 -6.510 14.064 1.00 0.00 C ATOM 563 O LEU A 136 -10.301 -7.666 14.219 1.00 0.00 O ATOM 564 CB LEU A 136 -7.952 -5.881 12.701 1.00 0.00 C ATOM 565 CG LEU A 136 -7.478 -5.074 11.484 1.00 0.00 C ATOM 566 CD1 LEU A 136 -5.953 -4.913 11.533 1.00 0.00 C ATOM 567 CD2 LEU A 136 -7.872 -5.803 10.194 1.00 0.00 C ATOM 0 H LEU A 136 -9.954 -3.969 13.160 1.00 0.00 H new ATOM 0 HA LEU A 136 -9.784 -6.699 11.917 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -7.620 -5.396 13.619 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -7.503 -6.874 12.685 1.00 0.00 H new ATOM 0 HG LEU A 136 -7.948 -4.091 11.502 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -5.620 -4.340 10.668 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -5.672 -4.388 12.446 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -5.483 -5.896 11.520 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -7.534 -5.227 9.333 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -7.407 -6.789 10.177 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -8.956 -5.912 10.154 1.00 0.00 H new ATOM 579 N CYS A 137 -9.969 -5.651 15.050 1.00 0.00 N ATOM 580 CA CYS A 137 -10.417 -6.067 16.414 1.00 0.00 C ATOM 581 C CYS A 137 -11.781 -5.443 16.754 1.00 0.00 C ATOM 582 O CYS A 137 -12.340 -5.699 17.802 1.00 0.00 O ATOM 583 CB CYS A 137 -9.380 -5.614 17.439 1.00 0.00 C ATOM 584 SG CYS A 137 -9.152 -3.819 17.347 1.00 0.00 S ATOM 0 H CYS A 137 -9.689 -4.674 14.969 1.00 0.00 H new ATOM 0 HA CYS A 137 -10.519 -7.152 16.436 1.00 0.00 H new ATOM 0 HB2 CYS A 137 -9.702 -5.896 18.442 1.00 0.00 H new ATOM 0 HB3 CYS A 137 -8.431 -6.118 17.255 1.00 0.00 H new ATOM 0 HG CYS A 137 -8.849 -3.482 16.129 1.00 0.00 H new ATOM 589 N ASN A 138 -12.311 -4.621 15.878 1.00 0.00 N ATOM 590 CA ASN A 138 -13.637 -3.959 16.123 1.00 0.00 C ATOM 591 C ASN A 138 -13.473 -2.829 17.143 1.00 0.00 C ATOM 592 O ASN A 138 -14.375 -2.536 17.906 1.00 0.00 O ATOM 593 CB ASN A 138 -14.673 -4.973 16.634 1.00 0.00 C ATOM 594 CG ASN A 138 -16.056 -4.610 16.090 1.00 0.00 C ATOM 595 OD1 ASN A 138 -16.661 -3.652 16.526 1.00 0.00 O ATOM 596 ND2 ASN A 138 -16.586 -5.342 15.148 1.00 0.00 N ATOM 0 H ASN A 138 -11.875 -4.376 14.989 1.00 0.00 H new ATOM 0 HA ASN A 138 -13.994 -3.549 15.178 1.00 0.00 H new ATOM 0 HB2 ASN A 138 -14.399 -5.979 16.317 1.00 0.00 H new ATOM 0 HB3 ASN A 138 -14.688 -4.975 17.724 1.00 0.00 H new ATOM 0 HD21 ASN A 138 -17.508 -5.109 14.779 1.00 0.00 H new ATOM 0 HD22 ASN A 138 -16.078 -6.147 14.781 1.00 0.00 H new ATOM 603 N ARG A 139 -12.332 -2.187 17.151 1.00 0.00 N ATOM 604 CA ARG A 139 -12.104 -1.061 18.104 1.00 0.00 C ATOM 605 C ARG A 139 -12.417 0.260 17.395 1.00 0.00 C ATOM 606 O ARG A 139 -12.909 0.267 16.282 1.00 0.00 O ATOM 607 CB ARG A 139 -10.642 -1.065 18.563 1.00 0.00 C ATOM 608 CG ARG A 139 -10.458 -2.095 19.678 1.00 0.00 C ATOM 609 CD ARG A 139 -10.710 -1.431 21.033 1.00 0.00 C ATOM 610 NE ARG A 139 -9.904 -2.118 22.082 1.00 0.00 N ATOM 611 CZ ARG A 139 -10.483 -2.937 22.916 1.00 0.00 C ATOM 612 NH1 ARG A 139 -10.989 -4.060 22.483 1.00 0.00 N ATOM 613 NH2 ARG A 139 -10.556 -2.634 24.183 1.00 0.00 N ATOM 0 H ARG A 139 -11.546 -2.396 16.535 1.00 0.00 H new ATOM 0 HA ARG A 139 -12.751 -1.175 18.973 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -9.987 -1.301 17.724 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -10.359 -0.074 18.919 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -11.147 -2.928 19.536 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -9.449 -2.506 19.645 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -10.443 -0.375 20.988 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -11.770 -1.481 21.283 1.00 0.00 H new ATOM 0 HE ARG A 139 -8.900 -1.948 22.148 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -10.932 -4.297 21.493 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -11.442 -4.700 23.135 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -10.160 -1.757 24.521 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -11.009 -3.274 24.835 1.00 0.00 H new ATOM 627 N ALA A 140 -12.139 1.373 18.027 1.00 0.00 N ATOM 628 CA ALA A 140 -12.427 2.689 17.383 1.00 0.00 C ATOM 629 C ALA A 140 -11.421 3.740 17.865 1.00 0.00 C ATOM 630 O ALA A 140 -11.144 3.853 19.044 1.00 0.00 O ATOM 631 CB ALA A 140 -13.844 3.134 17.750 1.00 0.00 C ATOM 0 H ALA A 140 -11.726 1.426 18.958 1.00 0.00 H new ATOM 0 HA ALA A 140 -12.343 2.584 16.301 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -14.057 4.095 17.281 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -14.561 2.392 17.398 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -13.925 3.233 18.832 1.00 0.00 H new ATOM 637 N PHE A 141 -10.881 4.511 16.955 1.00 0.00 N ATOM 638 CA PHE A 141 -9.898 5.566 17.341 1.00 0.00 C ATOM 639 C PHE A 141 -10.329 6.900 16.727 1.00 0.00 C ATOM 640 O PHE A 141 -10.971 6.935 15.694 1.00 0.00 O ATOM 641 CB PHE A 141 -8.509 5.188 16.819 1.00 0.00 C ATOM 642 CG PHE A 141 -8.112 3.841 17.372 1.00 0.00 C ATOM 643 CD1 PHE A 141 -7.604 3.741 18.673 1.00 0.00 C ATOM 644 CD2 PHE A 141 -8.248 2.691 16.584 1.00 0.00 C ATOM 645 CE1 PHE A 141 -7.234 2.493 19.186 1.00 0.00 C ATOM 646 CE2 PHE A 141 -7.878 1.443 17.097 1.00 0.00 C ATOM 647 CZ PHE A 141 -7.371 1.343 18.399 1.00 0.00 C ATOM 0 H PHE A 141 -11.081 4.454 15.956 1.00 0.00 H new ATOM 0 HA PHE A 141 -9.862 5.655 18.427 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -8.514 5.158 15.729 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -7.780 5.943 17.114 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -7.498 4.627 19.281 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -8.639 2.768 15.580 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -6.842 2.417 20.190 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -7.983 0.557 16.489 1.00 0.00 H new ATOM 0 HZ PHE A 141 -7.086 0.380 18.795 1.00 0.00 H new ATOM 657 N THR A 142 -9.986 7.996 17.356 1.00 0.00 N ATOM 658 CA THR A 142 -10.383 9.331 16.812 1.00 0.00 C ATOM 659 C THR A 142 -9.261 9.895 15.936 1.00 0.00 C ATOM 660 O THR A 142 -9.505 10.675 15.035 1.00 0.00 O ATOM 661 CB THR A 142 -10.660 10.295 17.970 1.00 0.00 C ATOM 662 OG1 THR A 142 -10.885 11.599 17.453 1.00 0.00 O ATOM 663 CG2 THR A 142 -9.460 10.322 18.918 1.00 0.00 C ATOM 0 H THR A 142 -9.448 8.024 18.222 1.00 0.00 H new ATOM 0 HA THR A 142 -11.284 9.216 16.209 1.00 0.00 H new ATOM 0 HB THR A 142 -11.542 9.960 18.516 1.00 0.00 H new ATOM 0 HG1 THR A 142 -11.064 12.217 18.192 1.00 0.00 H new ATOM 0 HG21 THR A 142 -9.661 11.009 19.740 1.00 0.00 H new ATOM 0 HG22 THR A 142 -9.287 9.322 19.315 1.00 0.00 H new ATOM 0 HG23 THR A 142 -8.575 10.655 18.375 1.00 0.00 H new ATOM 671 N ARG A 143 -8.036 9.509 16.192 1.00 0.00 N ATOM 672 CA ARG A 143 -6.898 10.025 15.374 1.00 0.00 C ATOM 673 C ARG A 143 -6.510 8.987 14.320 1.00 0.00 C ATOM 674 O ARG A 143 -6.610 7.795 14.546 1.00 0.00 O ATOM 675 CB ARG A 143 -5.697 10.299 16.283 1.00 0.00 C ATOM 676 CG ARG A 143 -6.038 11.434 17.252 1.00 0.00 C ATOM 677 CD ARG A 143 -5.773 12.779 16.573 1.00 0.00 C ATOM 678 NE ARG A 143 -4.308 13.051 16.566 1.00 0.00 N ATOM 679 CZ ARG A 143 -3.690 13.327 17.682 1.00 0.00 C ATOM 680 NH1 ARG A 143 -4.158 14.250 18.476 1.00 0.00 N ATOM 681 NH2 ARG A 143 -2.604 12.678 18.003 1.00 0.00 N ATOM 0 H ARG A 143 -7.776 8.858 16.933 1.00 0.00 H new ATOM 0 HA ARG A 143 -7.200 10.948 14.880 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -5.435 9.399 16.839 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -4.827 10.568 15.683 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -7.083 11.367 17.555 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -5.437 11.347 18.157 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -6.156 12.765 15.553 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -6.299 13.575 17.100 1.00 0.00 H new ATOM 0 HE ARG A 143 -3.788 13.022 15.689 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -5.007 14.756 18.225 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -3.675 14.465 19.348 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -2.239 11.956 17.382 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -2.120 12.893 18.875 1.00 0.00 H new ATOM 695 N ARG A 144 -6.067 9.433 13.171 1.00 0.00 N ATOM 696 CA ARG A 144 -5.667 8.478 12.096 1.00 0.00 C ATOM 697 C ARG A 144 -4.329 7.833 12.462 1.00 0.00 C ATOM 698 O ARG A 144 -4.135 6.645 12.283 1.00 0.00 O ATOM 699 CB ARG A 144 -5.527 9.228 10.770 1.00 0.00 C ATOM 700 CG ARG A 144 -5.648 8.239 9.609 1.00 0.00 C ATOM 701 CD ARG A 144 -5.799 9.009 8.296 1.00 0.00 C ATOM 702 NE ARG A 144 -4.457 9.202 7.678 1.00 0.00 N ATOM 703 CZ ARG A 144 -4.163 8.606 6.555 1.00 0.00 C ATOM 704 NH1 ARG A 144 -4.985 8.679 5.543 1.00 0.00 N ATOM 705 NH2 ARG A 144 -3.049 7.936 6.443 1.00 0.00 N ATOM 0 H ARG A 144 -5.965 10.419 12.932 1.00 0.00 H new ATOM 0 HA ARG A 144 -6.429 7.705 11.995 1.00 0.00 H new ATOM 0 HB2 ARG A 144 -6.298 9.995 10.690 1.00 0.00 H new ATOM 0 HB3 ARG A 144 -4.565 9.738 10.728 1.00 0.00 H new ATOM 0 HG2 ARG A 144 -4.766 7.600 9.569 1.00 0.00 H new ATOM 0 HG3 ARG A 144 -6.508 7.587 9.761 1.00 0.00 H new ATOM 0 HD2 ARG A 144 -6.450 8.462 7.614 1.00 0.00 H new ATOM 0 HD3 ARG A 144 -6.269 9.975 8.480 1.00 0.00 H new ATOM 0 HE ARG A 144 -3.768 9.800 8.133 1.00 0.00 H new ATOM 0 HH11 ARG A 144 -5.856 9.202 5.631 1.00 0.00 H new ATOM 0 HH12 ARG A 144 -4.756 8.213 4.665 1.00 0.00 H new ATOM 0 HH21 ARG A 144 -2.407 7.878 7.234 1.00 0.00 H new ATOM 0 HH22 ARG A 144 -2.820 7.470 5.565 1.00 0.00 H new ATOM 719 N ASP A 145 -3.407 8.608 12.977 1.00 0.00 N ATOM 720 CA ASP A 145 -2.078 8.049 13.363 1.00 0.00 C ATOM 721 C ASP A 145 -2.267 7.003 14.464 1.00 0.00 C ATOM 722 O ASP A 145 -1.500 6.066 14.579 1.00 0.00 O ATOM 723 CB ASP A 145 -1.178 9.175 13.878 1.00 0.00 C ATOM 724 CG ASP A 145 -1.896 9.934 14.996 1.00 0.00 C ATOM 725 OD1 ASP A 145 -1.941 9.419 16.101 1.00 0.00 O ATOM 726 OD2 ASP A 145 -2.388 11.018 14.728 1.00 0.00 O ATOM 0 H ASP A 145 -3.520 9.607 13.147 1.00 0.00 H new ATOM 0 HA ASP A 145 -1.613 7.584 12.494 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -0.239 8.763 14.249 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -0.928 9.856 13.064 1.00 0.00 H new ATOM 731 N LEU A 146 -3.285 7.157 15.272 1.00 0.00 N ATOM 732 CA LEU A 146 -3.538 6.177 16.368 1.00 0.00 C ATOM 733 C LEU A 146 -3.914 4.821 15.769 1.00 0.00 C ATOM 734 O LEU A 146 -3.378 3.796 16.143 1.00 0.00 O ATOM 735 CB LEU A 146 -4.693 6.676 17.237 1.00 0.00 C ATOM 736 CG LEU A 146 -4.148 7.527 18.386 1.00 0.00 C ATOM 737 CD1 LEU A 146 -5.316 8.120 19.181 1.00 0.00 C ATOM 738 CD2 LEU A 146 -3.297 6.653 19.312 1.00 0.00 C ATOM 0 H LEU A 146 -3.955 7.924 15.218 1.00 0.00 H new ATOM 0 HA LEU A 146 -2.637 6.072 16.973 1.00 0.00 H new ATOM 0 HB2 LEU A 146 -5.386 7.263 16.634 1.00 0.00 H new ATOM 0 HB3 LEU A 146 -5.254 5.830 17.634 1.00 0.00 H new ATOM 0 HG LEU A 146 -3.535 8.332 17.980 1.00 0.00 H new ATOM 0 HD11 LEU A 146 -4.928 8.726 20.000 1.00 0.00 H new ATOM 0 HD12 LEU A 146 -5.924 8.743 18.525 1.00 0.00 H new ATOM 0 HD13 LEU A 146 -5.928 7.313 19.585 1.00 0.00 H new ATOM 0 HD21 LEU A 146 -2.909 7.260 20.130 1.00 0.00 H new ATOM 0 HD22 LEU A 146 -3.910 5.847 19.717 1.00 0.00 H new ATOM 0 HD23 LEU A 146 -2.466 6.229 18.749 1.00 0.00 H new ATOM 750 N LEU A 147 -4.842 4.812 14.847 1.00 0.00 N ATOM 751 CA LEU A 147 -5.282 3.529 14.215 1.00 0.00 C ATOM 752 C LEU A 147 -4.086 2.790 13.602 1.00 0.00 C ATOM 753 O LEU A 147 -3.965 1.586 13.735 1.00 0.00 O ATOM 754 CB LEU A 147 -6.304 3.831 13.116 1.00 0.00 C ATOM 755 CG LEU A 147 -7.096 2.563 12.790 1.00 0.00 C ATOM 756 CD1 LEU A 147 -8.395 2.940 12.076 1.00 0.00 C ATOM 757 CD2 LEU A 147 -6.260 1.658 11.881 1.00 0.00 C ATOM 0 H LEU A 147 -5.318 5.645 14.501 1.00 0.00 H new ATOM 0 HA LEU A 147 -5.730 2.897 14.982 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -6.981 4.621 13.442 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -5.796 4.195 12.223 1.00 0.00 H new ATOM 0 HG LEU A 147 -7.330 2.035 13.714 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -8.958 2.036 11.844 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -8.992 3.584 12.722 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -8.162 3.469 11.152 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -6.824 0.755 11.649 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -6.025 2.187 10.957 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -5.334 1.387 12.389 1.00 0.00 H new ATOM 769 N ILE A 148 -3.208 3.493 12.927 1.00 0.00 N ATOM 770 CA ILE A 148 -2.030 2.818 12.303 1.00 0.00 C ATOM 771 C ILE A 148 -1.161 2.188 13.394 1.00 0.00 C ATOM 772 O ILE A 148 -0.912 1.003 13.383 1.00 0.00 O ATOM 773 CB ILE A 148 -1.201 3.832 11.506 1.00 0.00 C ATOM 774 CG1 ILE A 148 -2.100 4.524 10.476 1.00 0.00 C ATOM 775 CG2 ILE A 148 -0.050 3.110 10.783 1.00 0.00 C ATOM 776 CD1 ILE A 148 -1.578 5.938 10.211 1.00 0.00 C ATOM 0 H ILE A 148 -3.257 4.502 12.782 1.00 0.00 H new ATOM 0 HA ILE A 148 -2.385 2.041 11.626 1.00 0.00 H new ATOM 0 HB ILE A 148 -0.786 4.575 12.187 1.00 0.00 H new ATOM 0 HG12 ILE A 148 -2.116 3.951 9.549 1.00 0.00 H new ATOM 0 HG13 ILE A 148 -3.126 4.566 10.843 1.00 0.00 H new ATOM 0 HG21 ILE A 148 0.536 3.835 10.218 1.00 0.00 H new ATOM 0 HG22 ILE A 148 0.589 2.619 11.517 1.00 0.00 H new ATOM 0 HG23 ILE A 148 -0.459 2.364 10.102 1.00 0.00 H new ATOM 0 HD11 ILE A 148 -2.217 6.430 9.478 1.00 0.00 H new ATOM 0 HD12 ILE A 148 -1.585 6.508 11.140 1.00 0.00 H new ATOM 0 HD13 ILE A 148 -0.560 5.884 9.826 1.00 0.00 H new ATOM 788 N ARG A 149 -0.703 2.971 14.339 1.00 0.00 N ATOM 789 CA ARG A 149 0.152 2.420 15.440 1.00 0.00 C ATOM 790 C ARG A 149 -0.574 1.272 16.160 1.00 0.00 C ATOM 791 O ARG A 149 0.045 0.441 16.796 1.00 0.00 O ATOM 792 CB ARG A 149 0.460 3.535 16.444 1.00 0.00 C ATOM 793 CG ARG A 149 1.461 3.030 17.487 1.00 0.00 C ATOM 794 CD ARG A 149 0.711 2.567 18.739 1.00 0.00 C ATOM 795 NE ARG A 149 1.501 2.923 19.953 1.00 0.00 N ATOM 796 CZ ARG A 149 0.897 3.390 21.011 1.00 0.00 C ATOM 797 NH1 ARG A 149 0.415 2.568 21.903 1.00 0.00 N ATOM 798 NH2 ARG A 149 0.776 4.678 21.179 1.00 0.00 N ATOM 0 H ARG A 149 -0.884 3.973 14.397 1.00 0.00 H new ATOM 0 HA ARG A 149 1.078 2.036 15.012 1.00 0.00 H new ATOM 0 HB2 ARG A 149 0.868 4.402 15.925 1.00 0.00 H new ATOM 0 HB3 ARG A 149 -0.458 3.860 16.934 1.00 0.00 H new ATOM 0 HG2 ARG A 149 2.045 2.207 17.076 1.00 0.00 H new ATOM 0 HG3 ARG A 149 2.164 3.822 17.744 1.00 0.00 H new ATOM 0 HD2 ARG A 149 -0.272 3.036 18.781 1.00 0.00 H new ATOM 0 HD3 ARG A 149 0.549 1.490 18.701 1.00 0.00 H new ATOM 0 HE ARG A 149 2.514 2.801 19.956 1.00 0.00 H new ATOM 0 HH11 ARG A 149 0.511 1.561 21.773 1.00 0.00 H new ATOM 0 HH12 ARG A 149 -0.057 2.933 22.730 1.00 0.00 H new ATOM 0 HH21 ARG A 149 1.154 5.321 20.483 1.00 0.00 H new ATOM 0 HH22 ARG A 149 0.304 5.042 22.006 1.00 0.00 H new ATOM 812 N HIS A 150 -1.880 1.227 16.066 1.00 0.00 N ATOM 813 CA HIS A 150 -2.655 0.147 16.741 1.00 0.00 C ATOM 814 C HIS A 150 -2.514 -1.165 15.948 1.00 0.00 C ATOM 815 O HIS A 150 -2.428 -2.235 16.524 1.00 0.00 O ATOM 816 CB HIS A 150 -4.133 0.592 16.814 1.00 0.00 C ATOM 817 CG HIS A 150 -5.036 -0.558 17.192 1.00 0.00 C ATOM 818 ND1 HIS A 150 -4.860 -1.295 18.353 1.00 0.00 N ATOM 819 CD2 HIS A 150 -6.119 -1.109 16.557 1.00 0.00 C ATOM 820 CE1 HIS A 150 -5.816 -2.242 18.378 1.00 0.00 C ATOM 821 NE2 HIS A 150 -6.611 -2.174 17.306 1.00 0.00 N ATOM 0 H HIS A 150 -2.444 1.899 15.546 1.00 0.00 H new ATOM 0 HA HIS A 150 -2.277 -0.028 17.748 1.00 0.00 H new ATOM 0 HB2 HIS A 150 -4.238 1.394 17.545 1.00 0.00 H new ATOM 0 HB3 HIS A 150 -4.441 0.997 15.850 1.00 0.00 H new ATOM 0 HD2 HIS A 150 -6.528 -0.768 15.618 1.00 0.00 H new ATOM 0 HE1 HIS A 150 -5.927 -2.969 19.169 1.00 0.00 H new ATOM 0 HE2 HIS A 150 -7.406 -2.773 17.085 1.00 0.00 H new ATOM 829 N ALA A 151 -2.511 -1.094 14.641 1.00 0.00 N ATOM 830 CA ALA A 151 -2.400 -2.341 13.822 1.00 0.00 C ATOM 831 C ALA A 151 -0.931 -2.726 13.593 1.00 0.00 C ATOM 832 O ALA A 151 -0.640 -3.837 13.189 1.00 0.00 O ATOM 833 CB ALA A 151 -3.084 -2.122 12.470 1.00 0.00 C ATOM 0 H ALA A 151 -2.580 -0.229 14.106 1.00 0.00 H new ATOM 0 HA ALA A 151 -2.887 -3.152 14.364 1.00 0.00 H new ATOM 0 HB1 ALA A 151 -3.005 -3.029 11.871 1.00 0.00 H new ATOM 0 HB2 ALA A 151 -4.136 -1.883 12.629 1.00 0.00 H new ATOM 0 HB3 ALA A 151 -2.599 -1.298 11.946 1.00 0.00 H new ATOM 839 N GLN A 152 -0.006 -1.830 13.840 1.00 0.00 N ATOM 840 CA GLN A 152 1.435 -2.162 13.625 1.00 0.00 C ATOM 841 C GLN A 152 2.037 -2.733 14.915 1.00 0.00 C ATOM 842 O GLN A 152 2.996 -3.481 14.878 1.00 0.00 O ATOM 843 CB GLN A 152 2.208 -0.899 13.227 1.00 0.00 C ATOM 844 CG GLN A 152 1.516 -0.207 12.047 1.00 0.00 C ATOM 845 CD GLN A 152 1.960 1.254 11.989 1.00 0.00 C ATOM 846 OE1 GLN A 152 1.647 2.032 12.869 1.00 0.00 O ATOM 847 NE2 GLN A 152 2.683 1.664 10.983 1.00 0.00 N ATOM 0 H GLN A 152 -0.187 -0.886 14.180 1.00 0.00 H new ATOM 0 HA GLN A 152 1.509 -2.902 12.828 1.00 0.00 H new ATOM 0 HB2 GLN A 152 2.267 -0.217 14.075 1.00 0.00 H new ATOM 0 HB3 GLN A 152 3.231 -1.160 12.956 1.00 0.00 H new ATOM 0 HG2 GLN A 152 1.768 -0.713 11.115 1.00 0.00 H new ATOM 0 HG3 GLN A 152 0.433 -0.266 12.160 1.00 0.00 H new ATOM 0 HE21 GLN A 152 2.946 1.011 10.244 1.00 0.00 H new ATOM 0 HE22 GLN A 152 2.985 2.637 10.935 1.00 0.00 H new ATOM 856 N LYS A 153 1.491 -2.375 16.051 1.00 0.00 N ATOM 857 CA LYS A 153 2.040 -2.883 17.344 1.00 0.00 C ATOM 858 C LYS A 153 1.346 -4.192 17.735 1.00 0.00 C ATOM 859 O LYS A 153 1.992 -5.162 18.086 1.00 0.00 O ATOM 860 CB LYS A 153 1.805 -1.837 18.439 1.00 0.00 C ATOM 861 CG LYS A 153 3.061 -0.980 18.608 1.00 0.00 C ATOM 862 CD LYS A 153 2.903 -0.072 19.829 1.00 0.00 C ATOM 863 CE LYS A 153 4.203 0.701 20.062 1.00 0.00 C ATOM 864 NZ LYS A 153 4.266 1.152 21.481 1.00 0.00 N ATOM 0 H LYS A 153 0.688 -1.752 16.138 1.00 0.00 H new ATOM 0 HA LYS A 153 3.108 -3.068 17.230 1.00 0.00 H new ATOM 0 HB2 LYS A 153 0.955 -1.207 18.178 1.00 0.00 H new ATOM 0 HB3 LYS A 153 1.559 -2.330 19.380 1.00 0.00 H new ATOM 0 HG2 LYS A 153 3.936 -1.619 18.728 1.00 0.00 H new ATOM 0 HG3 LYS A 153 3.226 -0.379 17.714 1.00 0.00 H new ATOM 0 HD2 LYS A 153 2.077 0.622 19.675 1.00 0.00 H new ATOM 0 HD3 LYS A 153 2.659 -0.667 20.709 1.00 0.00 H new ATOM 0 HE2 LYS A 153 5.061 0.069 19.832 1.00 0.00 H new ATOM 0 HE3 LYS A 153 4.252 1.561 19.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 5.149 1.677 21.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 3.455 1.770 21.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 4.238 0.324 22.110 1.00 0.00 H new ATOM 878 N ILE A 154 0.039 -4.222 17.689 1.00 0.00 N ATOM 879 CA ILE A 154 -0.700 -5.460 18.073 1.00 0.00 C ATOM 880 C ILE A 154 -0.979 -6.310 16.829 1.00 0.00 C ATOM 881 O ILE A 154 -0.579 -7.457 16.753 1.00 0.00 O ATOM 882 CB ILE A 154 -2.020 -5.068 18.750 1.00 0.00 C ATOM 883 CG1 ILE A 154 -1.719 -4.207 19.981 1.00 0.00 C ATOM 884 CG2 ILE A 154 -2.776 -6.327 19.190 1.00 0.00 C ATOM 885 CD1 ILE A 154 -1.539 -2.748 19.559 1.00 0.00 C ATOM 0 H ILE A 154 -0.549 -3.440 17.401 1.00 0.00 H new ATOM 0 HA ILE A 154 -0.096 -6.046 18.766 1.00 0.00 H new ATOM 0 HB ILE A 154 -2.633 -4.508 18.044 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -2.532 -4.289 20.702 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -0.817 -4.566 20.476 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -3.712 -6.040 19.670 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -2.990 -6.946 18.319 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -2.165 -6.891 19.895 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -1.325 -2.139 20.437 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -0.711 -2.673 18.855 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -2.453 -2.391 19.084 1.00 0.00 H new ATOM 897 N HIS A 155 -1.667 -5.763 15.859 1.00 0.00 N ATOM 898 CA HIS A 155 -1.980 -6.543 14.623 1.00 0.00 C ATOM 899 C HIS A 155 -0.717 -6.747 13.770 1.00 0.00 C ATOM 900 O HIS A 155 -0.741 -7.498 12.816 1.00 0.00 O ATOM 901 CB HIS A 155 -3.038 -5.802 13.804 1.00 0.00 C ATOM 902 CG HIS A 155 -4.235 -5.522 14.673 1.00 0.00 C ATOM 903 ND1 HIS A 155 -4.776 -6.481 15.515 1.00 0.00 N ATOM 904 CD2 HIS A 155 -5.005 -4.397 14.845 1.00 0.00 C ATOM 905 CE1 HIS A 155 -5.823 -5.922 16.149 1.00 0.00 C ATOM 906 NE2 HIS A 155 -6.006 -4.652 15.778 1.00 0.00 N ATOM 0 H HIS A 155 -2.026 -4.808 15.870 1.00 0.00 H new ATOM 0 HA HIS A 155 -2.360 -7.521 14.918 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -2.628 -4.869 13.419 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -3.332 -6.401 12.942 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -4.856 -3.457 14.334 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -6.440 -6.437 16.870 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -6.725 -4.008 16.108 1.00 0.00 H new