USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=11 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 -149:sc= 0.499 USER MOD Set 1.2: A 137 CYS SG : rot -134:sc= -1.02 USER MOD Set 1.3: A 150 HIS : no HE2:sc= 0.85 K(o=-7.1,f=-16!) USER MOD Set 1.4: A 155 HIS : no HD1:sc= -7.38! C(o=-7.1!,f=-8!) USER MOD Set 2.1: A 106 CYS SG : rot 110:sc= -1.41 USER MOD Set 2.2: A 109 CYS SG : rot -179:sc= -2.28 USER MOD Set 2.3: A 122 HIS : no HD1:sc= -1.31! C(o=-8.8!,f=-23!) USER MOD Set 2.4: A 126 HIS : no HD1:sc= -3.82! C(o=-8.8!,f=-22!) USER MOD Single : A 110 THR OG1 : rot 1:sc= 0.393 USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 HIS : no HD1:sc=-0.000964 X(o=-0.00096,f=-0.37) USER MOD Single : A 120 LYS NZ :NH3+ 144:sc= -0.322 (180deg=-1.48!) 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= -0.483 K(o=-0.48,f=-1.1) USER MOD Single : A 142 THR OG1 : rot 180:sc= 0 USER MOD Single : A 152 GLN : amide:sc= -0.467 X(o=-0.47,f=0) USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 36 N PHE A 104 -23.468 32.142 16.215 1.00 0.00 N ATOM 37 CA PHE A 104 -22.394 31.119 16.071 1.00 0.00 C ATOM 38 C PHE A 104 -22.930 29.945 15.251 1.00 0.00 C ATOM 39 O PHE A 104 -23.117 28.849 15.747 1.00 0.00 O ATOM 40 CB PHE A 104 -21.955 30.630 17.450 1.00 0.00 C ATOM 41 CG PHE A 104 -21.482 31.802 18.276 1.00 0.00 C ATOM 42 CD1 PHE A 104 -20.243 32.396 18.005 1.00 0.00 C ATOM 43 CD2 PHE A 104 -22.282 32.295 19.314 1.00 0.00 C ATOM 44 CE1 PHE A 104 -19.804 33.482 18.771 1.00 0.00 C ATOM 45 CE2 PHE A 104 -21.844 33.382 20.080 1.00 0.00 C ATOM 46 CZ PHE A 104 -20.604 33.975 19.809 1.00 0.00 C ATOM 0 HA PHE A 104 -21.535 31.559 15.564 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -22.784 30.130 17.951 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -21.155 29.897 17.349 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -19.626 32.016 17.204 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -23.237 31.837 19.524 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -18.848 33.940 18.561 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -22.462 33.763 20.880 1.00 0.00 H new ATOM 0 HZ PHE A 104 -20.265 34.812 20.401 1.00 0.00 H new ATOM 56 N VAL A 105 -23.175 30.181 13.996 1.00 0.00 N ATOM 57 CA VAL A 105 -23.700 29.105 13.102 1.00 0.00 C ATOM 58 C VAL A 105 -22.556 28.147 12.753 1.00 0.00 C ATOM 59 O VAL A 105 -21.504 28.555 12.297 1.00 0.00 O ATOM 60 CB VAL A 105 -24.303 29.739 11.825 1.00 0.00 C ATOM 61 CG1 VAL A 105 -23.338 30.776 11.242 1.00 0.00 C ATOM 62 CG2 VAL A 105 -24.592 28.666 10.761 1.00 0.00 C ATOM 0 H VAL A 105 -23.034 31.083 13.542 1.00 0.00 H new ATOM 0 HA VAL A 105 -24.487 28.545 13.607 1.00 0.00 H new ATOM 0 HB VAL A 105 -25.239 30.223 12.103 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -23.774 31.214 10.344 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -23.158 31.560 11.978 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -22.394 30.293 10.988 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -25.015 29.138 9.874 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -23.665 28.159 10.495 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -25.301 27.940 11.159 1.00 0.00 H new ATOM 72 N CYS A 106 -22.767 26.872 12.962 1.00 0.00 N ATOM 73 CA CYS A 106 -21.710 25.868 12.647 1.00 0.00 C ATOM 74 C CYS A 106 -21.425 25.889 11.145 1.00 0.00 C ATOM 75 O CYS A 106 -22.303 26.141 10.342 1.00 0.00 O ATOM 76 CB CYS A 106 -22.200 24.477 13.056 1.00 0.00 C ATOM 77 SG CYS A 106 -20.856 23.279 12.865 1.00 0.00 S ATOM 0 H CYS A 106 -23.631 26.483 13.339 1.00 0.00 H new ATOM 0 HA CYS A 106 -20.798 26.108 13.193 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -22.544 24.491 14.090 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -23.051 24.185 12.441 1.00 0.00 H new ATOM 0 HG CYS A 106 -20.452 22.889 14.038 1.00 0.00 H new ATOM 82 N GLU A 107 -20.201 25.624 10.762 1.00 0.00 N ATOM 83 CA GLU A 107 -19.848 25.624 9.310 1.00 0.00 C ATOM 84 C GLU A 107 -20.030 24.220 8.717 1.00 0.00 C ATOM 85 O GLU A 107 -19.484 23.912 7.674 1.00 0.00 O ATOM 86 CB GLU A 107 -18.390 26.057 9.143 1.00 0.00 C ATOM 87 CG GLU A 107 -18.189 27.432 9.785 1.00 0.00 C ATOM 88 CD GLU A 107 -18.324 28.521 8.719 1.00 0.00 C ATOM 89 OE1 GLU A 107 -19.324 28.517 8.020 1.00 0.00 O ATOM 90 OE2 GLU A 107 -17.425 29.339 8.619 1.00 0.00 O ATOM 0 H GLU A 107 -19.430 25.407 11.394 1.00 0.00 H new ATOM 0 HA GLU A 107 -20.505 26.318 8.787 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -17.727 25.327 9.607 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -18.130 26.096 8.085 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -18.925 27.588 10.573 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -17.206 27.486 10.252 1.00 0.00 H new ATOM 97 N VAL A 108 -20.788 23.366 9.367 1.00 0.00 N ATOM 98 CA VAL A 108 -20.993 21.989 8.830 1.00 0.00 C ATOM 99 C VAL A 108 -22.475 21.778 8.517 1.00 0.00 C ATOM 100 O VAL A 108 -22.831 21.357 7.432 1.00 0.00 O ATOM 101 CB VAL A 108 -20.534 20.958 9.867 1.00 0.00 C ATOM 102 CG1 VAL A 108 -20.548 19.561 9.243 1.00 0.00 C ATOM 103 CG2 VAL A 108 -19.113 21.290 10.327 1.00 0.00 C ATOM 0 H VAL A 108 -21.270 23.566 10.243 1.00 0.00 H new ATOM 0 HA VAL A 108 -20.409 21.866 7.918 1.00 0.00 H new ATOM 0 HB VAL A 108 -21.210 20.983 10.722 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -20.221 18.829 9.982 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -21.559 19.319 8.915 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -19.874 19.538 8.387 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -18.788 20.556 11.064 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -18.439 21.267 9.471 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -19.098 22.284 10.774 1.00 0.00 H new ATOM 113 N CYS A 109 -23.337 22.075 9.454 1.00 0.00 N ATOM 114 CA CYS A 109 -24.799 21.899 9.211 1.00 0.00 C ATOM 115 C CYS A 109 -25.506 23.261 9.211 1.00 0.00 C ATOM 116 O CYS A 109 -26.718 23.327 9.271 1.00 0.00 O ATOM 117 CB CYS A 109 -25.399 21.009 10.304 1.00 0.00 C ATOM 118 SG CYS A 109 -25.033 21.709 11.934 1.00 0.00 S ATOM 0 H CYS A 109 -23.091 22.432 10.377 1.00 0.00 H new ATOM 0 HA CYS A 109 -24.940 21.428 8.238 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -26.477 20.926 10.167 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -24.990 20.001 10.231 1.00 0.00 H new ATOM 0 HG CYS A 109 -25.527 20.939 12.858 1.00 0.00 H new ATOM 123 N THR A 110 -24.763 24.348 9.143 1.00 0.00 N ATOM 124 CA THR A 110 -25.393 25.715 9.136 1.00 0.00 C ATOM 125 C THR A 110 -26.414 25.840 10.280 1.00 0.00 C ATOM 126 O THR A 110 -27.550 26.226 10.075 1.00 0.00 O ATOM 127 CB THR A 110 -26.090 25.961 7.789 1.00 0.00 C ATOM 128 OG1 THR A 110 -27.251 25.149 7.697 1.00 0.00 O ATOM 129 CG2 THR A 110 -25.135 25.623 6.642 1.00 0.00 C ATOM 0 H THR A 110 -23.744 24.347 9.092 1.00 0.00 H new ATOM 0 HA THR A 110 -24.611 26.461 9.280 1.00 0.00 H new ATOM 0 HB THR A 110 -26.376 27.010 7.720 1.00 0.00 H new ATOM 0 HG1 THR A 110 -27.355 24.632 8.523 1.00 0.00 H new ATOM 0 HG21 THR A 110 -25.634 25.799 5.689 1.00 0.00 H new ATOM 0 HG22 THR A 110 -24.248 26.253 6.709 1.00 0.00 H new ATOM 0 HG23 THR A 110 -24.841 24.575 6.710 1.00 0.00 H new ATOM 137 N ARG A 111 -26.011 25.505 11.480 1.00 0.00 N ATOM 138 CA ARG A 111 -26.945 25.590 12.643 1.00 0.00 C ATOM 139 C ARG A 111 -26.970 27.023 13.181 1.00 0.00 C ATOM 140 O ARG A 111 -26.555 27.949 12.514 1.00 0.00 O ATOM 141 CB ARG A 111 -26.470 24.632 13.742 1.00 0.00 C ATOM 142 CG ARG A 111 -27.682 23.998 14.431 1.00 0.00 C ATOM 143 CD ARG A 111 -27.977 22.637 13.798 1.00 0.00 C ATOM 144 NE ARG A 111 -28.869 21.854 14.700 1.00 0.00 N ATOM 145 CZ ARG A 111 -30.131 21.703 14.401 1.00 0.00 C ATOM 146 NH1 ARG A 111 -30.975 22.672 14.630 1.00 0.00 N ATOM 147 NH2 ARG A 111 -30.547 20.585 13.873 1.00 0.00 N ATOM 0 H ARG A 111 -25.072 25.175 11.704 1.00 0.00 H new ATOM 0 HA ARG A 111 -27.950 25.312 12.326 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -25.836 23.856 13.313 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -25.865 25.171 14.471 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -27.487 23.880 15.497 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -28.550 24.651 14.336 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -28.452 22.771 12.826 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -27.047 22.094 13.627 1.00 0.00 H new ATOM 0 HE ARG A 111 -28.493 21.436 15.551 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -30.648 23.546 15.042 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -31.961 22.555 14.397 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -29.886 19.829 13.694 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -31.533 20.467 13.639 1.00 0.00 H new ATOM 161 N ALA A 112 -27.455 27.210 14.384 1.00 0.00 N ATOM 162 CA ALA A 112 -27.508 28.580 14.970 1.00 0.00 C ATOM 163 C ALA A 112 -27.379 28.488 16.490 1.00 0.00 C ATOM 164 O ALA A 112 -28.352 28.288 17.194 1.00 0.00 O ATOM 165 CB ALA A 112 -28.840 29.239 14.610 1.00 0.00 C ATOM 0 H ALA A 112 -27.817 26.469 14.985 1.00 0.00 H new ATOM 0 HA ALA A 112 -26.689 29.178 14.571 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -28.878 30.240 15.039 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -28.932 29.305 13.526 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -29.661 28.642 15.008 1.00 0.00 H new ATOM 171 N PHE A 113 -26.184 28.634 16.999 1.00 0.00 N ATOM 172 CA PHE A 113 -25.977 28.558 18.474 1.00 0.00 C ATOM 173 C PHE A 113 -25.718 29.962 19.023 1.00 0.00 C ATOM 174 O PHE A 113 -24.884 30.689 18.519 1.00 0.00 O ATOM 175 CB PHE A 113 -24.774 27.661 18.777 1.00 0.00 C ATOM 176 CG PHE A 113 -25.128 26.225 18.472 1.00 0.00 C ATOM 177 CD1 PHE A 113 -25.721 25.426 19.456 1.00 0.00 C ATOM 178 CD2 PHE A 113 -24.862 25.692 17.204 1.00 0.00 C ATOM 179 CE1 PHE A 113 -26.049 24.095 19.173 1.00 0.00 C ATOM 180 CE2 PHE A 113 -25.190 24.361 16.922 1.00 0.00 C ATOM 181 CZ PHE A 113 -25.783 23.562 17.906 1.00 0.00 C ATOM 0 H PHE A 113 -25.339 28.803 16.453 1.00 0.00 H new ATOM 0 HA PHE A 113 -26.867 28.141 18.945 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -23.916 27.970 18.179 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -24.486 27.762 19.823 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -25.926 25.836 20.434 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -24.404 26.308 16.444 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -26.507 23.479 19.932 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -24.985 23.950 15.944 1.00 0.00 H new ATOM 0 HZ PHE A 113 -26.035 22.535 17.688 1.00 0.00 H new ATOM 191 N ALA A 114 -26.429 30.345 20.051 1.00 0.00 N ATOM 192 CA ALA A 114 -26.233 31.702 20.642 1.00 0.00 C ATOM 193 C ALA A 114 -24.935 31.733 21.452 1.00 0.00 C ATOM 194 O ALA A 114 -24.334 32.776 21.630 1.00 0.00 O ATOM 195 CB ALA A 114 -27.411 32.031 21.559 1.00 0.00 C ATOM 0 H ALA A 114 -27.140 29.774 20.508 1.00 0.00 H new ATOM 0 HA ALA A 114 -26.174 32.438 19.840 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -27.270 33.021 21.992 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -28.336 32.015 20.983 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -27.468 31.291 22.357 1.00 0.00 H new ATOM 201 N ARG A 115 -24.505 30.602 21.954 1.00 0.00 N ATOM 202 CA ARG A 115 -23.251 30.566 22.764 1.00 0.00 C ATOM 203 C ARG A 115 -22.188 29.745 22.030 1.00 0.00 C ATOM 204 O ARG A 115 -22.490 28.756 21.388 1.00 0.00 O ATOM 205 CB ARG A 115 -23.539 29.927 24.127 1.00 0.00 C ATOM 206 CG ARG A 115 -24.773 30.586 24.762 1.00 0.00 C ATOM 207 CD ARG A 115 -24.540 30.806 26.261 1.00 0.00 C ATOM 208 NE ARG A 115 -25.669 30.212 27.031 1.00 0.00 N ATOM 209 CZ ARG A 115 -26.876 30.690 26.895 1.00 0.00 C ATOM 210 NH1 ARG A 115 -27.079 31.977 26.955 1.00 0.00 N ATOM 211 NH2 ARG A 115 -27.880 29.880 26.698 1.00 0.00 N ATOM 0 H ARG A 115 -24.970 29.702 21.837 1.00 0.00 H new ATOM 0 HA ARG A 115 -22.886 31.583 22.909 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -23.708 28.857 24.008 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -22.676 30.043 24.783 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -24.977 31.539 24.274 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -25.650 29.956 24.611 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -23.598 30.349 26.565 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -24.461 31.872 26.475 1.00 0.00 H new ATOM 0 HE ARG A 115 -25.499 29.431 27.665 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -26.294 32.610 27.108 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -28.022 32.350 26.849 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -27.722 28.874 26.650 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -28.823 30.253 26.592 1.00 0.00 H new ATOM 225 N GLN A 116 -20.947 30.149 22.123 1.00 0.00 N ATOM 226 CA GLN A 116 -19.853 29.401 21.435 1.00 0.00 C ATOM 227 C GLN A 116 -19.387 28.242 22.319 1.00 0.00 C ATOM 228 O GLN A 116 -18.903 27.240 21.830 1.00 0.00 O ATOM 229 CB GLN A 116 -18.678 30.345 21.170 1.00 0.00 C ATOM 230 CG GLN A 116 -17.775 29.745 20.090 1.00 0.00 C ATOM 231 CD GLN A 116 -16.956 30.858 19.434 1.00 0.00 C ATOM 232 OE1 GLN A 116 -17.168 31.187 18.284 1.00 0.00 O ATOM 233 NE2 GLN A 116 -16.021 31.455 20.121 1.00 0.00 N ATOM 0 H GLN A 116 -20.643 30.969 22.649 1.00 0.00 H new ATOM 0 HA GLN A 116 -20.224 29.007 20.489 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -19.046 31.320 20.851 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -18.111 30.503 22.087 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -17.111 29.000 20.529 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -18.378 29.232 19.340 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -15.843 31.179 21.087 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -15.469 32.198 19.692 1.00 0.00 H new ATOM 242 N GLU A 117 -19.529 28.371 23.616 1.00 0.00 N ATOM 243 CA GLU A 117 -19.096 27.275 24.533 1.00 0.00 C ATOM 244 C GLU A 117 -19.913 26.012 24.243 1.00 0.00 C ATOM 245 O GLU A 117 -19.446 24.905 24.435 1.00 0.00 O ATOM 246 CB GLU A 117 -19.314 27.706 25.987 1.00 0.00 C ATOM 247 CG GLU A 117 -20.773 28.126 26.186 1.00 0.00 C ATOM 248 CD GLU A 117 -21.060 28.278 27.682 1.00 0.00 C ATOM 249 OE1 GLU A 117 -20.923 27.296 28.394 1.00 0.00 O ATOM 250 OE2 GLU A 117 -21.412 29.372 28.088 1.00 0.00 O ATOM 0 H GLU A 117 -19.926 29.189 24.078 1.00 0.00 H new ATOM 0 HA GLU A 117 -18.038 27.066 24.374 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -19.066 26.886 26.661 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -18.650 28.534 26.235 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -20.965 29.067 25.670 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -21.440 27.382 25.751 1.00 0.00 H new ATOM 257 N HIS A 118 -21.127 26.173 23.780 1.00 0.00 N ATOM 258 CA HIS A 118 -21.979 24.988 23.469 1.00 0.00 C ATOM 259 C HIS A 118 -21.639 24.474 22.070 1.00 0.00 C ATOM 260 O HIS A 118 -21.643 23.283 21.818 1.00 0.00 O ATOM 261 CB HIS A 118 -23.453 25.392 23.522 1.00 0.00 C ATOM 262 CG HIS A 118 -23.938 25.337 24.945 1.00 0.00 C ATOM 263 ND1 HIS A 118 -24.291 26.477 25.650 1.00 0.00 N ATOM 264 CD2 HIS A 118 -24.133 24.287 25.807 1.00 0.00 C ATOM 265 CE1 HIS A 118 -24.676 26.089 26.879 1.00 0.00 C ATOM 266 NE2 HIS A 118 -24.599 24.765 27.029 1.00 0.00 N ATOM 0 H HIS A 118 -21.565 27.077 23.604 1.00 0.00 H new ATOM 0 HA HIS A 118 -21.793 24.202 24.201 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -23.580 26.398 23.122 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -24.047 24.724 22.898 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -23.953 23.248 25.573 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -25.008 26.767 27.651 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -24.831 24.221 27.860 1.00 0.00 H new ATOM 274 N LEU A 119 -21.340 25.366 21.159 1.00 0.00 N ATOM 275 CA LEU A 119 -20.994 24.948 19.774 1.00 0.00 C ATOM 276 C LEU A 119 -19.713 24.111 19.799 1.00 0.00 C ATOM 277 O LEU A 119 -19.505 23.255 18.963 1.00 0.00 O ATOM 278 CB LEU A 119 -20.769 26.196 18.917 1.00 0.00 C ATOM 279 CG LEU A 119 -21.191 25.916 17.474 1.00 0.00 C ATOM 280 CD1 LEU A 119 -21.048 27.192 16.647 1.00 0.00 C ATOM 281 CD2 LEU A 119 -20.292 24.830 16.884 1.00 0.00 C ATOM 0 H LEU A 119 -21.322 26.373 21.321 1.00 0.00 H new ATOM 0 HA LEU A 119 -21.806 24.354 19.355 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -21.343 27.032 19.318 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -19.719 26.486 18.949 1.00 0.00 H new ATOM 0 HG LEU A 119 -22.229 25.582 17.457 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -21.348 26.994 15.618 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -21.684 27.971 17.067 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -20.009 27.523 16.665 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -20.591 24.629 15.855 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -19.255 25.167 16.901 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -20.387 23.919 17.474 1.00 0.00 H new ATOM 293 N LYS A 120 -18.850 24.353 20.756 1.00 0.00 N ATOM 294 CA LYS A 120 -17.570 23.578 20.846 1.00 0.00 C ATOM 295 C LYS A 120 -17.860 22.070 20.824 1.00 0.00 C ATOM 296 O LYS A 120 -17.123 21.297 20.241 1.00 0.00 O ATOM 297 CB LYS A 120 -16.849 23.942 22.149 1.00 0.00 C ATOM 298 CG LYS A 120 -15.786 25.006 21.867 1.00 0.00 C ATOM 299 CD LYS A 120 -14.714 24.958 22.957 1.00 0.00 C ATOM 300 CE LYS A 120 -13.834 23.722 22.757 1.00 0.00 C ATOM 301 NZ LYS A 120 -13.295 23.715 21.367 1.00 0.00 N ATOM 0 H LYS A 120 -18.977 25.057 21.483 1.00 0.00 H new ATOM 0 HA LYS A 120 -16.940 23.828 19.992 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -17.565 24.314 22.881 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -16.385 23.055 22.580 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -15.334 24.834 20.890 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -16.245 25.994 21.836 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -14.104 25.861 22.921 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -15.182 24.928 23.941 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -13.015 23.726 23.476 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -14.413 22.817 22.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -12.327 23.334 21.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -13.898 23.120 20.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -13.283 24.686 20.994 1.00 0.00 H new ATOM 315 N ARG A 121 -18.932 21.654 21.450 1.00 0.00 N ATOM 316 CA ARG A 121 -19.283 20.203 21.463 1.00 0.00 C ATOM 317 C ARG A 121 -20.087 19.868 20.205 1.00 0.00 C ATOM 318 O ARG A 121 -20.013 18.773 19.682 1.00 0.00 O ATOM 319 CB ARG A 121 -20.125 19.892 22.704 1.00 0.00 C ATOM 320 CG ARG A 121 -19.380 20.358 23.957 1.00 0.00 C ATOM 321 CD ARG A 121 -18.283 19.351 24.305 1.00 0.00 C ATOM 322 NE ARG A 121 -17.902 19.506 25.737 1.00 0.00 N ATOM 323 CZ ARG A 121 -18.188 18.566 26.595 1.00 0.00 C ATOM 324 NH1 ARG A 121 -17.922 17.321 26.310 1.00 0.00 N ATOM 325 NH2 ARG A 121 -18.742 18.871 27.736 1.00 0.00 N ATOM 0 H ARG A 121 -19.580 22.259 21.954 1.00 0.00 H new ATOM 0 HA ARG A 121 -18.371 19.606 21.485 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -21.091 20.392 22.636 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -20.323 18.822 22.763 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -18.944 21.343 23.788 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -20.075 20.456 24.791 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -18.634 18.336 24.119 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -17.413 19.510 23.667 1.00 0.00 H new ATOM 0 HE ARG A 121 -17.417 20.348 26.047 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -17.491 17.083 25.417 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -18.145 16.585 26.980 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -18.952 19.844 27.957 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -18.966 18.136 28.407 1.00 0.00 H new ATOM 339 N HIS A 122 -20.852 20.811 19.718 1.00 0.00 N ATOM 340 CA HIS A 122 -21.670 20.575 18.492 1.00 0.00 C ATOM 341 C HIS A 122 -20.736 20.266 17.306 1.00 0.00 C ATOM 342 O HIS A 122 -21.139 19.641 16.342 1.00 0.00 O ATOM 343 CB HIS A 122 -22.507 21.839 18.213 1.00 0.00 C ATOM 344 CG HIS A 122 -23.190 21.754 16.869 1.00 0.00 C ATOM 345 ND1 HIS A 122 -24.340 21.009 16.666 1.00 0.00 N ATOM 346 CD2 HIS A 122 -22.891 22.319 15.655 1.00 0.00 C ATOM 347 CE1 HIS A 122 -24.690 21.146 15.373 1.00 0.00 C ATOM 348 NE2 HIS A 122 -23.839 21.935 14.712 1.00 0.00 N ATOM 0 H HIS A 122 -20.945 21.743 20.122 1.00 0.00 H new ATOM 0 HA HIS A 122 -22.338 19.725 18.633 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -23.254 21.964 18.997 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -21.864 22.718 18.242 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -22.047 22.964 15.461 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -25.553 20.676 14.925 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -23.876 22.199 13.728 1.00 0.00 H new ATOM 356 N TYR A 123 -19.502 20.703 17.367 1.00 0.00 N ATOM 357 CA TYR A 123 -18.553 20.441 16.245 1.00 0.00 C ATOM 358 C TYR A 123 -17.836 19.106 16.470 1.00 0.00 C ATOM 359 O TYR A 123 -17.406 18.461 15.532 1.00 0.00 O ATOM 360 CB TYR A 123 -17.523 21.571 16.178 1.00 0.00 C ATOM 361 CG TYR A 123 -16.669 21.408 14.943 1.00 0.00 C ATOM 362 CD1 TYR A 123 -17.272 21.322 13.682 1.00 0.00 C ATOM 363 CD2 TYR A 123 -15.277 21.341 15.059 1.00 0.00 C ATOM 364 CE1 TYR A 123 -16.480 21.170 12.536 1.00 0.00 C ATOM 365 CE2 TYR A 123 -14.484 21.190 13.914 1.00 0.00 C ATOM 366 CZ TYR A 123 -15.087 21.104 12.653 1.00 0.00 C ATOM 367 OH TYR A 123 -14.307 20.955 11.524 1.00 0.00 O ATOM 0 H TYR A 123 -19.112 21.231 18.148 1.00 0.00 H new ATOM 0 HA TYR A 123 -19.107 20.394 15.308 1.00 0.00 H new ATOM 0 HB2 TYR A 123 -18.029 22.536 16.158 1.00 0.00 H new ATOM 0 HB3 TYR A 123 -16.896 21.558 17.070 1.00 0.00 H new ATOM 0 HD1 TYR A 123 -18.347 21.373 13.593 1.00 0.00 H new ATOM 0 HD2 TYR A 123 -14.813 21.406 16.032 1.00 0.00 H new ATOM 0 HE1 TYR A 123 -16.944 21.104 11.563 1.00 0.00 H new ATOM 0 HE2 TYR A 123 -13.409 21.140 14.004 1.00 0.00 H new ATOM 0 HH TYR A 123 -13.362 20.928 11.781 1.00 0.00 H new ATOM 377 N ARG A 124 -17.702 18.688 17.705 1.00 0.00 N ATOM 378 CA ARG A 124 -17.011 17.396 17.994 1.00 0.00 C ATOM 379 C ARG A 124 -17.775 16.244 17.336 1.00 0.00 C ATOM 380 O ARG A 124 -17.187 15.288 16.866 1.00 0.00 O ATOM 381 CB ARG A 124 -16.961 17.173 19.508 1.00 0.00 C ATOM 382 CG ARG A 124 -15.692 16.400 19.870 1.00 0.00 C ATOM 383 CD ARG A 124 -15.820 15.841 21.288 1.00 0.00 C ATOM 384 NE ARG A 124 -16.477 14.505 21.237 1.00 0.00 N ATOM 385 CZ ARG A 124 -17.677 14.348 21.726 1.00 0.00 C ATOM 386 NH1 ARG A 124 -17.860 14.348 23.018 1.00 0.00 N ATOM 387 NH2 ARG A 124 -18.693 14.191 20.922 1.00 0.00 N ATOM 0 H ARG A 124 -18.043 19.188 18.526 1.00 0.00 H new ATOM 0 HA ARG A 124 -15.997 17.432 17.595 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -16.976 18.131 20.028 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -17.842 16.620 19.834 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -15.534 15.588 19.161 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -14.823 17.055 19.803 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -14.835 15.757 21.748 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -16.404 16.522 21.908 1.00 0.00 H new ATOM 0 HE ARG A 124 -15.989 13.713 20.820 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -17.065 14.471 23.646 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -18.798 14.225 23.400 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -18.549 14.191 19.912 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -19.631 14.068 21.303 1.00 0.00 H new ATOM 401 N SER A 125 -19.080 16.330 17.301 1.00 0.00 N ATOM 402 CA SER A 125 -19.893 15.245 16.674 1.00 0.00 C ATOM 403 C SER A 125 -19.874 15.395 15.148 1.00 0.00 C ATOM 404 O SER A 125 -20.062 14.436 14.424 1.00 0.00 O ATOM 405 CB SER A 125 -21.334 15.336 17.175 1.00 0.00 C ATOM 406 OG SER A 125 -21.944 16.504 16.641 1.00 0.00 O ATOM 0 H SER A 125 -19.619 17.108 17.681 1.00 0.00 H new ATOM 0 HA SER A 125 -19.470 14.278 16.945 1.00 0.00 H new ATOM 0 HB2 SER A 125 -21.893 14.450 16.874 1.00 0.00 H new ATOM 0 HB3 SER A 125 -21.351 15.368 18.264 1.00 0.00 H new ATOM 0 HG SER A 125 -22.869 16.565 16.959 1.00 0.00 H new ATOM 412 N HIS A 126 -19.655 16.590 14.658 1.00 0.00 N ATOM 413 CA HIS A 126 -19.628 16.809 13.181 1.00 0.00 C ATOM 414 C HIS A 126 -18.495 15.998 12.537 1.00 0.00 C ATOM 415 O HIS A 126 -18.484 15.793 11.338 1.00 0.00 O ATOM 416 CB HIS A 126 -19.410 18.294 12.893 1.00 0.00 C ATOM 417 CG HIS A 126 -20.741 18.987 12.803 1.00 0.00 C ATOM 418 ND1 HIS A 126 -21.794 18.471 12.065 1.00 0.00 N ATOM 419 CD2 HIS A 126 -21.205 20.156 13.353 1.00 0.00 C ATOM 420 CE1 HIS A 126 -22.829 19.320 12.188 1.00 0.00 C ATOM 421 NE2 HIS A 126 -22.525 20.364 12.963 1.00 0.00 N ATOM 0 H HIS A 126 -19.493 17.425 15.220 1.00 0.00 H new ATOM 0 HA HIS A 126 -20.579 16.482 12.761 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -18.806 18.744 13.681 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -18.860 18.418 11.960 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -20.633 20.814 13.991 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -23.790 19.175 11.717 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -23.130 21.146 13.215 1.00 0.00 H new ATOM 508 N TYR A 132 -11.875 6.796 12.229 1.00 0.00 N ATOM 509 CA TYR A 132 -10.868 5.738 11.916 1.00 0.00 C ATOM 510 C TYR A 132 -11.078 4.525 12.848 1.00 0.00 C ATOM 511 O TYR A 132 -10.287 4.300 13.745 1.00 0.00 O ATOM 512 CB TYR A 132 -9.458 6.304 12.110 1.00 0.00 C ATOM 513 CG TYR A 132 -9.295 7.548 11.269 1.00 0.00 C ATOM 514 CD1 TYR A 132 -9.216 7.443 9.875 1.00 0.00 C ATOM 515 CD2 TYR A 132 -9.222 8.803 11.883 1.00 0.00 C ATOM 516 CE1 TYR A 132 -9.065 8.596 9.094 1.00 0.00 C ATOM 517 CE2 TYR A 132 -9.070 9.955 11.103 1.00 0.00 C ATOM 518 CZ TYR A 132 -8.991 9.852 9.709 1.00 0.00 C ATOM 519 OH TYR A 132 -8.841 10.988 8.939 1.00 0.00 O ATOM 0 HA TYR A 132 -10.990 5.416 10.882 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -9.290 6.538 13.161 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -8.714 5.560 11.826 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -9.271 6.474 9.402 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -9.283 8.883 12.958 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -9.006 8.516 8.019 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -9.014 10.924 11.577 1.00 0.00 H new ATOM 0 HH TYR A 132 -8.808 11.776 9.521 1.00 0.00 H new ATOM 529 N PRO A 133 -12.136 3.766 12.616 1.00 0.00 N ATOM 530 CA PRO A 133 -12.436 2.578 13.435 1.00 0.00 C ATOM 531 C PRO A 133 -11.557 1.399 13.001 1.00 0.00 C ATOM 532 O PRO A 133 -11.435 1.109 11.826 1.00 0.00 O ATOM 533 CB PRO A 133 -13.910 2.293 13.137 1.00 0.00 C ATOM 534 CG PRO A 133 -14.216 2.948 11.770 1.00 0.00 C ATOM 535 CD PRO A 133 -13.126 4.011 11.536 1.00 0.00 C ATOM 0 HA PRO A 133 -12.245 2.731 14.497 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -14.099 1.220 13.104 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -14.550 2.705 13.917 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -14.208 2.204 10.974 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -15.207 3.403 11.772 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -12.673 3.906 10.550 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -13.535 5.020 11.593 1.00 0.00 H new ATOM 543 N CYS A 134 -10.949 0.720 13.941 1.00 0.00 N ATOM 544 CA CYS A 134 -10.078 -0.443 13.589 1.00 0.00 C ATOM 545 C CYS A 134 -10.926 -1.527 12.919 1.00 0.00 C ATOM 546 O CYS A 134 -11.941 -1.944 13.444 1.00 0.00 O ATOM 547 CB CYS A 134 -9.437 -1.005 14.861 1.00 0.00 C ATOM 548 SG CYS A 134 -8.233 -2.286 14.422 1.00 0.00 S ATOM 0 H CYS A 134 -11.018 0.921 14.939 1.00 0.00 H new ATOM 0 HA CYS A 134 -9.295 -0.119 12.904 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -8.946 -0.206 15.416 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -10.204 -1.422 15.513 1.00 0.00 H new ATOM 0 HG CYS A 134 -8.181 -3.175 15.369 1.00 0.00 H new ATOM 553 N GLY A 135 -10.515 -1.985 11.763 1.00 0.00 N ATOM 554 CA GLY A 135 -11.291 -3.043 11.050 1.00 0.00 C ATOM 555 C GLY A 135 -10.665 -4.411 11.326 1.00 0.00 C ATOM 556 O GLY A 135 -10.727 -5.307 10.505 1.00 0.00 O ATOM 0 H GLY A 135 -9.673 -1.670 11.282 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -12.329 -3.033 11.382 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -11.297 -2.844 9.978 1.00 0.00 H new ATOM 560 N LEU A 136 -10.064 -4.576 12.476 1.00 0.00 N ATOM 561 CA LEU A 136 -9.429 -5.885 12.817 1.00 0.00 C ATOM 562 C LEU A 136 -9.925 -6.338 14.193 1.00 0.00 C ATOM 563 O LEU A 136 -10.270 -7.488 14.390 1.00 0.00 O ATOM 564 CB LEU A 136 -7.899 -5.732 12.848 1.00 0.00 C ATOM 565 CG LEU A 136 -7.421 -4.932 11.629 1.00 0.00 C ATOM 566 CD1 LEU A 136 -5.916 -4.687 11.733 1.00 0.00 C ATOM 567 CD2 LEU A 136 -7.717 -5.717 10.349 1.00 0.00 C ATOM 0 H LEU A 136 -9.985 -3.858 13.196 1.00 0.00 H new ATOM 0 HA LEU A 136 -9.697 -6.626 12.064 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -7.595 -5.227 13.765 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -7.428 -6.715 12.854 1.00 0.00 H new ATOM 0 HG LEU A 136 -7.945 -3.977 11.600 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -5.579 -4.119 10.866 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -5.701 -4.125 12.642 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -5.393 -5.643 11.766 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -7.376 -5.146 9.485 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -7.196 -6.674 10.380 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -8.790 -5.891 10.269 1.00 0.00 H new ATOM 579 N CYS A 137 -9.966 -5.437 15.142 1.00 0.00 N ATOM 580 CA CYS A 137 -10.445 -5.797 16.511 1.00 0.00 C ATOM 581 C CYS A 137 -11.845 -5.211 16.763 1.00 0.00 C ATOM 582 O CYS A 137 -12.464 -5.492 17.769 1.00 0.00 O ATOM 583 CB CYS A 137 -9.464 -5.240 17.546 1.00 0.00 C ATOM 584 SG CYS A 137 -9.333 -3.439 17.380 1.00 0.00 S ATOM 0 H CYS A 137 -9.687 -4.463 15.026 1.00 0.00 H new ATOM 0 HA CYS A 137 -10.502 -6.882 16.595 1.00 0.00 H new ATOM 0 HB2 CYS A 137 -9.800 -5.496 18.551 1.00 0.00 H new ATOM 0 HB3 CYS A 137 -8.484 -5.697 17.411 1.00 0.00 H new ATOM 0 HG CYS A 137 -8.081 -3.090 17.411 1.00 0.00 H new ATOM 589 N ASN A 138 -12.337 -4.390 15.864 1.00 0.00 N ATOM 590 CA ASN A 138 -13.689 -3.761 16.037 1.00 0.00 C ATOM 591 C ASN A 138 -13.605 -2.681 17.119 1.00 0.00 C ATOM 592 O ASN A 138 -14.424 -2.613 18.015 1.00 0.00 O ATOM 593 CB ASN A 138 -14.746 -4.812 16.430 1.00 0.00 C ATOM 594 CG ASN A 138 -14.593 -6.058 15.554 1.00 0.00 C ATOM 595 OD1 ASN A 138 -14.184 -5.968 14.414 1.00 0.00 O ATOM 596 ND2 ASN A 138 -14.905 -7.227 16.044 1.00 0.00 N ATOM 0 H ASN A 138 -11.853 -4.125 15.006 1.00 0.00 H new ATOM 0 HA ASN A 138 -13.991 -3.318 15.088 1.00 0.00 H new ATOM 0 HB2 ASN A 138 -14.632 -5.079 17.481 1.00 0.00 H new ATOM 0 HB3 ASN A 138 -15.746 -4.395 16.313 1.00 0.00 H new ATOM 0 HD21 ASN A 138 -14.805 -8.064 15.470 1.00 0.00 H new ATOM 0 HD22 ASN A 138 -15.249 -7.304 17.001 1.00 0.00 H new ATOM 603 N ARG A 139 -12.613 -1.830 17.030 1.00 0.00 N ATOM 604 CA ARG A 139 -12.456 -0.740 18.036 1.00 0.00 C ATOM 605 C ARG A 139 -12.761 0.605 17.371 1.00 0.00 C ATOM 606 O ARG A 139 -13.191 0.655 16.234 1.00 0.00 O ATOM 607 CB ARG A 139 -11.018 -0.738 18.563 1.00 0.00 C ATOM 608 CG ARG A 139 -10.882 -1.778 19.678 1.00 0.00 C ATOM 609 CD ARG A 139 -11.171 -1.120 21.029 1.00 0.00 C ATOM 610 NE ARG A 139 -11.230 -2.166 22.088 1.00 0.00 N ATOM 611 CZ ARG A 139 -11.834 -1.917 23.217 1.00 0.00 C ATOM 612 NH1 ARG A 139 -11.570 -0.818 23.869 1.00 0.00 N ATOM 613 NH2 ARG A 139 -12.701 -2.767 23.695 1.00 0.00 N ATOM 0 H ARG A 139 -11.902 -1.846 16.299 1.00 0.00 H new ATOM 0 HA ARG A 139 -13.144 -0.902 18.866 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -10.323 -0.963 17.754 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -10.759 0.251 18.940 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -11.575 -2.602 19.507 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -9.877 -2.200 19.675 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -10.395 -0.392 21.265 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -12.115 -0.577 20.986 1.00 0.00 H new ATOM 0 HE ARG A 139 -10.798 -3.077 21.930 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -10.892 -0.154 23.496 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -12.042 -0.623 24.752 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -12.907 -3.627 23.186 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -13.173 -2.572 24.578 1.00 0.00 H new ATOM 627 N ALA A 140 -12.545 1.692 18.069 1.00 0.00 N ATOM 628 CA ALA A 140 -12.825 3.033 17.476 1.00 0.00 C ATOM 629 C ALA A 140 -11.739 4.026 17.899 1.00 0.00 C ATOM 630 O ALA A 140 -11.244 3.982 19.009 1.00 0.00 O ATOM 631 CB ALA A 140 -14.187 3.529 17.966 1.00 0.00 C ATOM 0 H ALA A 140 -12.187 1.707 19.024 1.00 0.00 H new ATOM 0 HA ALA A 140 -12.832 2.952 16.389 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -14.394 4.508 17.535 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -14.962 2.826 17.660 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -14.176 3.606 19.053 1.00 0.00 H new ATOM 637 N PHE A 141 -11.371 4.922 17.018 1.00 0.00 N ATOM 638 CA PHE A 141 -10.321 5.929 17.355 1.00 0.00 C ATOM 639 C PHE A 141 -10.659 7.258 16.679 1.00 0.00 C ATOM 640 O PHE A 141 -11.502 7.319 15.803 1.00 0.00 O ATOM 641 CB PHE A 141 -8.959 5.436 16.860 1.00 0.00 C ATOM 642 CG PHE A 141 -8.634 4.113 17.510 1.00 0.00 C ATOM 643 CD1 PHE A 141 -9.098 2.921 16.943 1.00 0.00 C ATOM 644 CD2 PHE A 141 -7.868 4.079 18.682 1.00 0.00 C ATOM 645 CE1 PHE A 141 -8.797 1.694 17.545 1.00 0.00 C ATOM 646 CE2 PHE A 141 -7.567 2.851 19.285 1.00 0.00 C ATOM 647 CZ PHE A 141 -8.031 1.659 18.717 1.00 0.00 C ATOM 0 H PHE A 141 -11.755 4.999 16.076 1.00 0.00 H new ATOM 0 HA PHE A 141 -10.283 6.068 18.436 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -8.972 5.327 15.776 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -8.187 6.169 17.097 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -9.689 2.948 16.040 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -7.510 4.999 19.120 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -9.155 0.775 17.106 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -6.976 2.824 20.189 1.00 0.00 H new ATOM 0 HZ PHE A 141 -7.798 0.713 19.182 1.00 0.00 H new ATOM 657 N THR A 142 -10.011 8.323 17.081 1.00 0.00 N ATOM 658 CA THR A 142 -10.298 9.654 16.466 1.00 0.00 C ATOM 659 C THR A 142 -9.106 10.102 15.618 1.00 0.00 C ATOM 660 O THR A 142 -9.264 10.801 14.634 1.00 0.00 O ATOM 661 CB THR A 142 -10.550 10.686 17.570 1.00 0.00 C ATOM 662 OG1 THR A 142 -11.050 10.030 18.726 1.00 0.00 O ATOM 663 CG2 THR A 142 -11.570 11.718 17.085 1.00 0.00 C ATOM 0 H THR A 142 -9.296 8.328 17.808 1.00 0.00 H new ATOM 0 HA THR A 142 -11.182 9.571 15.833 1.00 0.00 H new ATOM 0 HB THR A 142 -9.615 11.190 17.815 1.00 0.00 H new ATOM 0 HG1 THR A 142 -11.210 10.690 19.433 1.00 0.00 H new ATOM 0 HG21 THR A 142 -11.748 12.451 17.872 1.00 0.00 H new ATOM 0 HG22 THR A 142 -11.184 12.223 16.199 1.00 0.00 H new ATOM 0 HG23 THR A 142 -12.506 11.216 16.838 1.00 0.00 H new ATOM 671 N ARG A 143 -7.914 9.710 15.993 1.00 0.00 N ATOM 672 CA ARG A 143 -6.707 10.116 15.213 1.00 0.00 C ATOM 673 C ARG A 143 -6.313 8.993 14.252 1.00 0.00 C ATOM 674 O ARG A 143 -6.311 7.831 14.612 1.00 0.00 O ATOM 675 CB ARG A 143 -5.550 10.396 16.174 1.00 0.00 C ATOM 676 CG ARG A 143 -5.966 11.478 17.173 1.00 0.00 C ATOM 677 CD ARG A 143 -4.827 11.723 18.165 1.00 0.00 C ATOM 678 NE ARG A 143 -5.288 12.661 19.227 1.00 0.00 N ATOM 679 CZ ARG A 143 -5.233 12.304 20.481 1.00 0.00 C ATOM 680 NH1 ARG A 143 -4.101 12.362 21.127 1.00 0.00 N ATOM 681 NH2 ARG A 143 -6.311 11.889 21.089 1.00 0.00 N ATOM 0 H ARG A 143 -7.725 9.125 16.807 1.00 0.00 H new ATOM 0 HA ARG A 143 -6.932 11.017 14.642 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -5.274 9.484 16.703 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -4.671 10.719 15.617 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -6.208 12.401 16.646 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -6.866 11.170 17.705 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -4.509 10.780 18.610 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -3.963 12.139 17.647 1.00 0.00 H new ATOM 0 HE ARG A 143 -5.646 13.582 18.974 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -3.259 12.686 20.652 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -4.058 12.083 22.107 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -7.196 11.844 20.584 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -6.268 11.610 22.069 1.00 0.00 H new ATOM 695 N ARG A 144 -5.976 9.336 13.034 1.00 0.00 N ATOM 696 CA ARG A 144 -5.575 8.296 12.042 1.00 0.00 C ATOM 697 C ARG A 144 -4.254 7.663 12.481 1.00 0.00 C ATOM 698 O ARG A 144 -4.060 6.468 12.361 1.00 0.00 O ATOM 699 CB ARG A 144 -5.401 8.942 10.667 1.00 0.00 C ATOM 700 CG ARG A 144 -5.366 7.855 9.592 1.00 0.00 C ATOM 701 CD ARG A 144 -5.643 8.480 8.223 1.00 0.00 C ATOM 702 NE ARG A 144 -4.445 9.244 7.775 1.00 0.00 N ATOM 703 CZ ARG A 144 -3.327 8.619 7.529 1.00 0.00 C ATOM 704 NH1 ARG A 144 -3.117 8.094 6.353 1.00 0.00 N ATOM 705 NH2 ARG A 144 -2.418 8.516 8.460 1.00 0.00 N ATOM 0 H ARG A 144 -5.962 10.294 12.685 1.00 0.00 H new ATOM 0 HA ARG A 144 -6.347 7.528 11.985 1.00 0.00 H new ATOM 0 HB2 ARG A 144 -6.220 9.634 10.473 1.00 0.00 H new ATOM 0 HB3 ARG A 144 -4.480 9.524 10.641 1.00 0.00 H new ATOM 0 HG2 ARG A 144 -4.393 7.363 9.589 1.00 0.00 H new ATOM 0 HG3 ARG A 144 -6.110 7.089 9.811 1.00 0.00 H new ATOM 0 HD2 ARG A 144 -5.884 7.702 7.498 1.00 0.00 H new ATOM 0 HD3 ARG A 144 -6.508 9.140 8.281 1.00 0.00 H new ATOM 0 HE ARG A 144 -4.499 10.256 7.661 1.00 0.00 H new ATOM 0 HH11 ARG A 144 -3.827 8.172 5.625 1.00 0.00 H new ATOM 0 HH12 ARG A 144 -2.242 7.605 6.161 1.00 0.00 H new ATOM 0 HH21 ARG A 144 -2.582 8.924 9.380 1.00 0.00 H new ATOM 0 HH22 ARG A 144 -1.544 8.027 8.267 1.00 0.00 H new ATOM 719 N ASP A 145 -3.347 8.457 12.991 1.00 0.00 N ATOM 720 CA ASP A 145 -2.033 7.912 13.444 1.00 0.00 C ATOM 721 C ASP A 145 -2.262 6.917 14.585 1.00 0.00 C ATOM 722 O ASP A 145 -1.502 5.985 14.767 1.00 0.00 O ATOM 723 CB ASP A 145 -1.148 9.059 13.938 1.00 0.00 C ATOM 724 CG ASP A 145 -1.900 9.865 14.999 1.00 0.00 C ATOM 725 OD1 ASP A 145 -1.800 9.512 16.163 1.00 0.00 O ATOM 726 OD2 ASP A 145 -2.561 10.822 14.631 1.00 0.00 O ATOM 0 H ASP A 145 -3.461 9.463 13.113 1.00 0.00 H new ATOM 0 HA ASP A 145 -1.542 7.407 12.612 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -0.222 8.664 14.355 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -0.872 9.704 13.104 1.00 0.00 H new ATOM 731 N LEU A 146 -3.306 7.109 15.352 1.00 0.00 N ATOM 732 CA LEU A 146 -3.596 6.179 16.482 1.00 0.00 C ATOM 733 C LEU A 146 -3.908 4.786 15.931 1.00 0.00 C ATOM 734 O LEU A 146 -3.331 3.800 16.350 1.00 0.00 O ATOM 735 CB LEU A 146 -4.804 6.696 17.266 1.00 0.00 C ATOM 736 CG LEU A 146 -4.330 7.621 18.389 1.00 0.00 C ATOM 737 CD1 LEU A 146 -5.542 8.248 19.080 1.00 0.00 C ATOM 738 CD2 LEU A 146 -3.525 6.812 19.410 1.00 0.00 C ATOM 0 H LEU A 146 -3.972 7.874 15.242 1.00 0.00 H new ATOM 0 HA LEU A 146 -2.728 6.124 17.139 1.00 0.00 H new ATOM 0 HB2 LEU A 146 -5.480 7.233 16.600 1.00 0.00 H new ATOM 0 HB3 LEU A 146 -5.365 5.859 17.683 1.00 0.00 H new ATOM 0 HG LEU A 146 -3.703 8.408 17.970 1.00 0.00 H new ATOM 0 HD11 LEU A 146 -5.204 8.907 19.880 1.00 0.00 H new ATOM 0 HD12 LEU A 146 -6.117 8.823 18.355 1.00 0.00 H new ATOM 0 HD13 LEU A 146 -6.170 7.461 19.499 1.00 0.00 H new ATOM 0 HD21 LEU A 146 -3.187 7.470 20.210 1.00 0.00 H new ATOM 0 HD22 LEU A 146 -4.153 6.025 19.828 1.00 0.00 H new ATOM 0 HD23 LEU A 146 -2.661 6.364 18.919 1.00 0.00 H new ATOM 750 N LEU A 147 -4.820 4.701 14.996 1.00 0.00 N ATOM 751 CA LEU A 147 -5.186 3.376 14.409 1.00 0.00 C ATOM 752 C LEU A 147 -3.950 2.718 13.786 1.00 0.00 C ATOM 753 O LEU A 147 -3.761 1.520 13.885 1.00 0.00 O ATOM 754 CB LEU A 147 -6.253 3.576 13.331 1.00 0.00 C ATOM 755 CG LEU A 147 -7.178 2.359 13.293 1.00 0.00 C ATOM 756 CD1 LEU A 147 -8.329 2.621 12.321 1.00 0.00 C ATOM 757 CD2 LEU A 147 -6.388 1.135 12.826 1.00 0.00 C ATOM 0 H LEU A 147 -5.330 5.497 14.612 1.00 0.00 H new ATOM 0 HA LEU A 147 -5.574 2.731 15.197 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -6.830 4.477 13.539 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -5.780 3.717 12.359 1.00 0.00 H new ATOM 0 HG LEU A 147 -7.579 2.177 14.290 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -8.988 1.753 12.295 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -8.892 3.494 12.651 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -7.929 2.803 11.324 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -7.046 0.266 12.798 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -5.988 1.319 11.829 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -5.567 0.946 13.518 1.00 0.00 H new ATOM 769 N ILE A 148 -3.108 3.494 13.150 1.00 0.00 N ATOM 770 CA ILE A 148 -1.880 2.918 12.524 1.00 0.00 C ATOM 771 C ILE A 148 -0.964 2.374 13.623 1.00 0.00 C ATOM 772 O ILE A 148 -0.246 1.412 13.425 1.00 0.00 O ATOM 773 CB ILE A 148 -1.148 4.003 11.729 1.00 0.00 C ATOM 774 CG1 ILE A 148 -2.099 4.603 10.689 1.00 0.00 C ATOM 775 CG2 ILE A 148 0.059 3.390 11.013 1.00 0.00 C ATOM 776 CD1 ILE A 148 -1.460 5.849 10.073 1.00 0.00 C ATOM 0 H ILE A 148 -3.219 4.502 13.038 1.00 0.00 H new ATOM 0 HA ILE A 148 -2.158 2.110 11.848 1.00 0.00 H new ATOM 0 HB ILE A 148 -0.810 4.783 12.411 1.00 0.00 H new ATOM 0 HG12 ILE A 148 -2.315 3.870 9.912 1.00 0.00 H new ATOM 0 HG13 ILE A 148 -3.049 4.862 11.156 1.00 0.00 H new ATOM 0 HG21 ILE A 148 0.578 4.164 10.448 1.00 0.00 H new ATOM 0 HG22 ILE A 148 0.739 2.960 11.749 1.00 0.00 H new ATOM 0 HG23 ILE A 148 -0.280 2.609 10.332 1.00 0.00 H new ATOM 0 HD11 ILE A 148 -2.136 6.277 9.333 1.00 0.00 H new ATOM 0 HD12 ILE A 148 -1.267 6.583 10.855 1.00 0.00 H new ATOM 0 HD13 ILE A 148 -0.521 5.576 9.592 1.00 0.00 H new ATOM 788 N ARG A 149 -0.991 2.983 14.781 1.00 0.00 N ATOM 789 CA ARG A 149 -0.132 2.509 15.906 1.00 0.00 C ATOM 790 C ARG A 149 -0.796 1.315 16.606 1.00 0.00 C ATOM 791 O ARG A 149 -0.160 0.597 17.351 1.00 0.00 O ATOM 792 CB ARG A 149 0.057 3.648 16.912 1.00 0.00 C ATOM 793 CG ARG A 149 1.120 3.256 17.945 1.00 0.00 C ATOM 794 CD ARG A 149 0.441 2.757 19.224 1.00 0.00 C ATOM 795 NE ARG A 149 1.203 3.239 20.410 1.00 0.00 N ATOM 796 CZ ARG A 149 0.972 2.724 21.587 1.00 0.00 C ATOM 797 NH1 ARG A 149 1.584 1.631 21.952 1.00 0.00 N ATOM 798 NH2 ARG A 149 0.130 3.301 22.398 1.00 0.00 N ATOM 0 H ARG A 149 -1.574 3.792 14.996 1.00 0.00 H new ATOM 0 HA ARG A 149 0.836 2.199 15.513 1.00 0.00 H new ATOM 0 HB2 ARG A 149 0.359 4.558 16.393 1.00 0.00 H new ATOM 0 HB3 ARG A 149 -0.887 3.865 17.412 1.00 0.00 H new ATOM 0 HG2 ARG A 149 1.766 2.478 17.538 1.00 0.00 H new ATOM 0 HG3 ARG A 149 1.755 4.113 18.170 1.00 0.00 H new ATOM 0 HD2 ARG A 149 -0.587 3.117 19.267 1.00 0.00 H new ATOM 0 HD3 ARG A 149 0.397 1.668 19.224 1.00 0.00 H new ATOM 0 HE ARG A 149 1.905 3.971 20.302 1.00 0.00 H new ATOM 0 HH11 ARG A 149 2.243 1.179 21.318 1.00 0.00 H new ATOM 0 HH12 ARG A 149 1.404 1.228 22.872 1.00 0.00 H new ATOM 0 HH21 ARG A 149 -0.349 4.155 22.113 1.00 0.00 H new ATOM 0 HH22 ARG A 149 -0.050 2.898 23.318 1.00 0.00 H new ATOM 812 N HIS A 150 -2.071 1.098 16.378 1.00 0.00 N ATOM 813 CA HIS A 150 -2.775 -0.042 17.032 1.00 0.00 C ATOM 814 C HIS A 150 -2.627 -1.303 16.160 1.00 0.00 C ATOM 815 O HIS A 150 -2.650 -2.412 16.659 1.00 0.00 O ATOM 816 CB HIS A 150 -4.264 0.340 17.204 1.00 0.00 C ATOM 817 CG HIS A 150 -5.112 -0.873 17.513 1.00 0.00 C ATOM 818 ND1 HIS A 150 -5.403 -1.271 18.808 1.00 0.00 N ATOM 819 CD2 HIS A 150 -5.730 -1.782 16.693 1.00 0.00 C ATOM 820 CE1 HIS A 150 -6.167 -2.377 18.728 1.00 0.00 C ATOM 821 NE2 HIS A 150 -6.394 -2.732 17.462 1.00 0.00 N ATOM 0 H HIS A 150 -2.653 1.667 15.763 1.00 0.00 H new ATOM 0 HA HIS A 150 -2.343 -0.253 18.010 1.00 0.00 H new ATOM 0 HB2 HIS A 150 -4.364 1.070 18.007 1.00 0.00 H new ATOM 0 HB3 HIS A 150 -4.626 0.817 16.293 1.00 0.00 H new ATOM 0 HD1 HIS A 150 -5.095 -0.811 19.665 1.00 0.00 H new ATOM 0 HD2 HIS A 150 -5.705 -1.763 15.613 1.00 0.00 H new ATOM 0 HE1 HIS A 150 -6.550 -2.912 19.585 1.00 0.00 H new ATOM 829 N ALA A 151 -2.493 -1.140 14.868 1.00 0.00 N ATOM 830 CA ALA A 151 -2.365 -2.329 13.974 1.00 0.00 C ATOM 831 C ALA A 151 -0.893 -2.712 13.796 1.00 0.00 C ATOM 832 O ALA A 151 -0.537 -3.871 13.866 1.00 0.00 O ATOM 833 CB ALA A 151 -2.974 -2.007 12.607 1.00 0.00 C ATOM 0 H ALA A 151 -2.467 -0.237 14.395 1.00 0.00 H new ATOM 0 HA ALA A 151 -2.894 -3.167 14.429 1.00 0.00 H new ATOM 0 HB1 ALA A 151 -2.881 -2.875 11.954 1.00 0.00 H new ATOM 0 HB2 ALA A 151 -4.028 -1.755 12.728 1.00 0.00 H new ATOM 0 HB3 ALA A 151 -2.448 -1.161 12.164 1.00 0.00 H new ATOM 839 N GLN A 152 -0.041 -1.751 13.552 1.00 0.00 N ATOM 840 CA GLN A 152 1.408 -2.056 13.346 1.00 0.00 C ATOM 841 C GLN A 152 2.047 -2.584 14.639 1.00 0.00 C ATOM 842 O GLN A 152 3.100 -3.195 14.604 1.00 0.00 O ATOM 843 CB GLN A 152 2.137 -0.783 12.908 1.00 0.00 C ATOM 844 CG GLN A 152 1.453 -0.188 11.670 1.00 0.00 C ATOM 845 CD GLN A 152 2.258 -0.535 10.415 1.00 0.00 C ATOM 846 OE1 GLN A 152 2.400 0.282 9.526 1.00 0.00 O ATOM 847 NE2 GLN A 152 2.795 -1.719 10.303 1.00 0.00 N ATOM 0 H GLN A 152 -0.287 -0.763 13.486 1.00 0.00 H new ATOM 0 HA GLN A 152 1.493 -2.823 12.577 1.00 0.00 H new ATOM 0 HB2 GLN A 152 2.136 -0.055 13.720 1.00 0.00 H new ATOM 0 HB3 GLN A 152 3.180 -1.009 12.684 1.00 0.00 H new ATOM 0 HG2 GLN A 152 0.439 -0.577 11.582 1.00 0.00 H new ATOM 0 HG3 GLN A 152 1.371 0.894 11.773 1.00 0.00 H new ATOM 0 HE21 GLN A 152 2.677 -2.405 11.048 1.00 0.00 H new ATOM 0 HE22 GLN A 152 3.333 -1.958 9.470 1.00 0.00 H new ATOM 856 N LYS A 153 1.440 -2.342 15.776 1.00 0.00 N ATOM 857 CA LYS A 153 2.036 -2.819 17.062 1.00 0.00 C ATOM 858 C LYS A 153 1.492 -4.202 17.430 1.00 0.00 C ATOM 859 O LYS A 153 2.216 -5.046 17.925 1.00 0.00 O ATOM 860 CB LYS A 153 1.688 -1.828 18.175 1.00 0.00 C ATOM 861 CG LYS A 153 2.798 -0.780 18.303 1.00 0.00 C ATOM 862 CD LYS A 153 2.916 0.021 17.003 1.00 0.00 C ATOM 863 CE LYS A 153 4.134 0.942 17.080 1.00 0.00 C ATOM 864 NZ LYS A 153 4.733 1.087 15.723 1.00 0.00 N ATOM 0 H LYS A 153 0.559 -1.836 15.868 1.00 0.00 H new ATOM 0 HA LYS A 153 3.117 -2.889 16.943 1.00 0.00 H new ATOM 0 HB2 LYS A 153 0.738 -1.340 17.956 1.00 0.00 H new ATOM 0 HB3 LYS A 153 1.564 -2.357 19.120 1.00 0.00 H new ATOM 0 HG2 LYS A 153 2.582 -0.109 19.135 1.00 0.00 H new ATOM 0 HG3 LYS A 153 3.747 -1.269 18.526 1.00 0.00 H new ATOM 0 HD2 LYS A 153 3.012 -0.656 16.154 1.00 0.00 H new ATOM 0 HD3 LYS A 153 2.012 0.609 16.842 1.00 0.00 H new ATOM 0 HE2 LYS A 153 3.841 1.918 17.466 1.00 0.00 H new ATOM 0 HE3 LYS A 153 4.870 0.533 17.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 5.562 1.713 15.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 5.026 0.153 15.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 4.030 1.496 15.075 1.00 0.00 H new ATOM 878 N ILE A 154 0.223 -4.437 17.209 1.00 0.00 N ATOM 879 CA ILE A 154 -0.367 -5.763 17.565 1.00 0.00 C ATOM 880 C ILE A 154 -0.761 -6.518 16.291 1.00 0.00 C ATOM 881 O ILE A 154 -0.473 -7.691 16.146 1.00 0.00 O ATOM 882 CB ILE A 154 -1.602 -5.543 18.446 1.00 0.00 C ATOM 883 CG1 ILE A 154 -1.200 -4.741 19.689 1.00 0.00 C ATOM 884 CG2 ILE A 154 -2.175 -6.895 18.882 1.00 0.00 C ATOM 885 CD1 ILE A 154 -1.416 -3.248 19.432 1.00 0.00 C ATOM 0 H ILE A 154 -0.429 -3.769 16.798 1.00 0.00 H new ATOM 0 HA ILE A 154 0.368 -6.355 18.110 1.00 0.00 H new ATOM 0 HB ILE A 154 -2.356 -4.996 17.880 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -1.791 -5.061 20.547 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -0.155 -4.930 19.933 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -3.053 -6.733 19.508 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -2.459 -7.471 18.001 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -1.422 -7.444 19.448 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -1.129 -2.681 20.318 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -0.806 -2.932 18.586 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -2.467 -3.066 19.209 1.00 0.00 H new ATOM 897 N HIS A 155 -1.419 -5.857 15.375 1.00 0.00 N ATOM 898 CA HIS A 155 -1.837 -6.535 14.111 1.00 0.00 C ATOM 899 C HIS A 155 -0.633 -6.718 13.170 1.00 0.00 C ATOM 900 O HIS A 155 -0.753 -7.327 12.125 1.00 0.00 O ATOM 901 CB HIS A 155 -2.908 -5.692 13.417 1.00 0.00 C ATOM 902 CG HIS A 155 -4.113 -5.579 14.313 1.00 0.00 C ATOM 903 ND1 HIS A 155 -4.568 -6.642 15.076 1.00 0.00 N ATOM 904 CD2 HIS A 155 -4.967 -4.536 14.576 1.00 0.00 C ATOM 905 CE1 HIS A 155 -5.650 -6.219 15.757 1.00 0.00 C ATOM 906 NE2 HIS A 155 -5.937 -4.942 15.488 1.00 0.00 N ATOM 0 H HIS A 155 -1.686 -4.875 15.447 1.00 0.00 H new ATOM 0 HA HIS A 155 -2.239 -7.519 14.354 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -2.516 -4.701 13.190 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -3.188 -6.149 12.468 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -4.897 -3.550 14.141 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -6.217 -6.837 16.438 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -6.702 -4.385 15.869 1.00 0.00 H new