USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 494 hydrogens (19 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 NoAdj-H: A1148 2MR HXT : A1148 2MR OXT : A1148 2MR C :(short bond) USER MOD Set 1.1: A 127 TYR OH : rot -165:sc= 1.29 USER MOD Set 1.2: A 136 GLN : amide:sc= -0.0194 K(o=1.3,f=-2.6!) USER MOD Set 2.1: A 112 THR OG1 : rot 73:sc= 0.242 USER MOD Set 2.2: A 128 THR OG1 : rot 180:sc= 0.241 USER MOD Single : A 84 ASN :FLIP amide:sc= 0.932 F(o=-0.16,f=0.93) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.673! X(o=-0.67!,f=-0.45) USER MOD Single : A 91 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 93 LYS NZ :NH3+ 171:sc= 1.27 (180deg=1.22) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 CYS SG : rot -16:sc= 0.221 USER MOD Single : A 99 SER OG : rot 141:sc= -1.77! USER MOD Single : A 103 SER OG : rot 143:sc= 1.25 USER MOD Single : A 107 CYS SG : rot 57:sc= 0.151 USER MOD Single : A 109 TYR OH : rot 42:sc= 1.25 USER MOD Single : A 115 SER OG : rot -11:sc= 1.03 USER MOD Single : A 119 LYS NZ :NH3+ 171:sc= -0.0444 (180deg=-0.216) USER MOD Single : A 122 THR OG1 : rot 180:sc= -0.0144 USER MOD Single : A 123 CYS SG : rot 100:sc= -4.36! USER MOD Single : A 130 TYR OH : rot -117:sc= 0.669 USER MOD Single : A 132 ASN :FLIP amide:sc= -2.44! C(o=-3!,f=-2.4!) USER MOD Single : A 137 ASN : amide:sc= -0.0357 X(o=-0.036,f=0) USER MOD Single : A 139 SER OG : rot -22:sc= 0.24 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 146 CYS SG : rot -46:sc= -0.142 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 84 -18.652 -3.326 -7.656 1.00 0.00 N ATOM 2 CA ASN A 84 -17.649 -3.806 -8.604 1.00 0.00 C ATOM 3 C ASN A 84 -16.622 -4.612 -7.867 1.00 0.00 C ATOM 4 O ASN A 84 -15.765 -4.050 -7.190 1.00 0.00 O ATOM 5 CB ASN A 84 -16.938 -2.640 -9.324 1.00 0.00 C ATOM 6 CG ASN A 84 -17.855 -1.759 -10.150 1.00 0.00 C ATOM 7 OD1 ASN A 84 -17.322 -1.171 -11.193 1.00 0.00 O flip ATOM 8 ND2 ASN A 84 -19.037 -1.598 -9.843 1.00 0.00 N flip ATOM 0 HA ASN A 84 -18.159 -4.412 -9.353 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -16.435 -2.023 -8.580 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -16.165 -3.049 -9.974 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -19.420 -2.071 -9.025 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -19.632 -0.992 -10.407 1.00 0.00 H new ATOM 17 N THR A 85 -16.706 -5.911 -7.952 1.00 0.00 N ATOM 18 CA THR A 85 -15.758 -6.751 -7.281 1.00 0.00 C ATOM 19 C THR A 85 -15.359 -7.921 -8.162 1.00 0.00 C ATOM 20 O THR A 85 -16.101 -8.891 -8.292 1.00 0.00 O ATOM 21 CB THR A 85 -16.314 -7.266 -5.926 1.00 0.00 C ATOM 22 OG1 THR A 85 -16.728 -6.149 -5.124 1.00 0.00 O ATOM 23 CG2 THR A 85 -15.257 -8.053 -5.157 1.00 0.00 C ATOM 0 H THR A 85 -17.422 -6.409 -8.480 1.00 0.00 H new ATOM 0 HA THR A 85 -14.874 -6.148 -7.076 1.00 0.00 H new ATOM 0 HB THR A 85 -17.158 -7.923 -6.136 1.00 0.00 H new ATOM 0 HG1 THR A 85 -17.081 -6.473 -4.269 1.00 0.00 H new ATOM 0 HG21 THR A 85 -15.677 -8.400 -4.213 1.00 0.00 H new ATOM 0 HG22 THR A 85 -14.939 -8.911 -5.750 1.00 0.00 H new ATOM 0 HG23 THR A 85 -14.399 -7.411 -4.958 1.00 0.00 H new ATOM 31 N ALA A 86 -14.228 -7.793 -8.813 1.00 0.00 N ATOM 32 CA ALA A 86 -13.680 -8.879 -9.600 1.00 0.00 C ATOM 33 C ALA A 86 -12.515 -9.492 -8.858 1.00 0.00 C ATOM 34 O ALA A 86 -11.977 -10.532 -9.251 1.00 0.00 O ATOM 35 CB ALA A 86 -13.234 -8.399 -10.965 1.00 0.00 C ATOM 0 H ALA A 86 -13.664 -6.943 -8.815 1.00 0.00 H new ATOM 0 HA ALA A 86 -14.458 -9.627 -9.750 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -12.828 -9.237 -11.531 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -14.086 -7.980 -11.500 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -12.466 -7.634 -10.849 1.00 0.00 H new ATOM 41 N ALA A 87 -12.113 -8.834 -7.794 1.00 0.00 N ATOM 42 CA ALA A 87 -11.041 -9.291 -6.951 1.00 0.00 C ATOM 43 C ALA A 87 -11.225 -8.718 -5.575 1.00 0.00 C ATOM 44 O ALA A 87 -11.867 -7.674 -5.420 1.00 0.00 O ATOM 45 CB ALA A 87 -9.699 -8.863 -7.508 1.00 0.00 C ATOM 0 H ALA A 87 -12.530 -7.954 -7.489 1.00 0.00 H new ATOM 0 HA ALA A 87 -11.061 -10.380 -6.909 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -8.903 -9.220 -6.854 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -9.567 -9.286 -8.504 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -9.660 -7.775 -7.567 1.00 0.00 H new ATOM 51 N SER A 88 -10.642 -9.364 -4.593 1.00 0.00 N ATOM 52 CA SER A 88 -10.738 -8.937 -3.210 1.00 0.00 C ATOM 53 C SER A 88 -9.527 -8.057 -2.862 1.00 0.00 C ATOM 54 O SER A 88 -9.159 -7.889 -1.700 1.00 0.00 O ATOM 55 CB SER A 88 -10.759 -10.183 -2.332 1.00 0.00 C ATOM 56 OG SER A 88 -11.757 -11.096 -2.785 1.00 0.00 O ATOM 0 H SER A 88 -10.083 -10.207 -4.728 1.00 0.00 H new ATOM 0 HA SER A 88 -11.645 -8.355 -3.047 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.781 -10.665 -2.351 1.00 0.00 H new ATOM 0 HB3 SER A 88 -10.957 -9.903 -1.297 1.00 0.00 H new ATOM 0 HG SER A 88 -11.757 -11.891 -2.212 1.00 0.00 H new ATOM 62 N LEU A 89 -8.954 -7.466 -3.883 1.00 0.00 N ATOM 63 CA LEU A 89 -7.766 -6.666 -3.757 1.00 0.00 C ATOM 64 C LEU A 89 -8.135 -5.186 -3.861 1.00 0.00 C ATOM 65 O LEU A 89 -7.366 -4.372 -4.379 1.00 0.00 O ATOM 66 CB LEU A 89 -6.816 -7.043 -4.889 1.00 0.00 C ATOM 67 CG LEU A 89 -5.382 -7.346 -4.470 1.00 0.00 C ATOM 68 CD1 LEU A 89 -4.552 -7.688 -5.671 1.00 0.00 C ATOM 69 CD2 LEU A 89 -4.777 -6.187 -3.718 1.00 0.00 C ATOM 0 H LEU A 89 -9.308 -7.530 -4.838 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.289 -6.843 -2.793 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -7.218 -7.917 -5.402 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -6.800 -6.228 -5.613 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.398 -8.205 -3.799 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.530 -7.902 -5.358 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -4.971 -8.564 -6.166 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.550 -6.846 -6.364 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.754 -6.433 -3.432 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.773 -5.302 -4.355 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.366 -5.987 -2.823 1.00 0.00 H new ATOM 81 N GLN A 90 -9.302 -4.837 -3.370 1.00 0.00 N ATOM 82 CA GLN A 90 -9.760 -3.466 -3.469 1.00 0.00 C ATOM 83 C GLN A 90 -9.862 -2.801 -2.123 1.00 0.00 C ATOM 84 O GLN A 90 -9.389 -1.704 -1.934 1.00 0.00 O ATOM 85 CB GLN A 90 -11.103 -3.378 -4.177 1.00 0.00 C ATOM 86 CG GLN A 90 -11.107 -3.891 -5.598 1.00 0.00 C ATOM 87 CD GLN A 90 -12.456 -3.726 -6.232 1.00 0.00 C ATOM 88 OE1 GLN A 90 -12.745 -2.698 -6.854 1.00 0.00 O ATOM 89 NE2 GLN A 90 -13.298 -4.712 -6.087 1.00 0.00 N ATOM 0 H GLN A 90 -9.947 -5.474 -2.902 1.00 0.00 H new ATOM 0 HA GLN A 90 -9.009 -2.938 -4.057 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -11.839 -3.940 -3.601 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -11.428 -2.338 -4.181 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -10.360 -3.355 -6.183 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -10.824 -4.944 -5.608 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -13.023 -5.545 -5.567 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -14.231 -4.650 -6.494 1.00 0.00 H new ATOM 98 N GLN A 91 -10.481 -3.465 -1.205 1.00 0.00 N ATOM 99 CA GLN A 91 -10.737 -2.891 0.088 1.00 0.00 C ATOM 100 C GLN A 91 -9.766 -3.362 1.134 1.00 0.00 C ATOM 101 O GLN A 91 -9.419 -4.548 1.214 1.00 0.00 O ATOM 102 CB GLN A 91 -12.176 -3.107 0.503 1.00 0.00 C ATOM 103 CG GLN A 91 -13.140 -2.371 -0.400 1.00 0.00 C ATOM 104 CD GLN A 91 -14.591 -2.572 -0.018 1.00 0.00 C ATOM 105 OE1 GLN A 91 -14.920 -2.801 1.155 1.00 0.00 O ATOM 106 NE2 GLN A 91 -15.468 -2.469 -0.980 1.00 0.00 N ATOM 0 H GLN A 91 -10.826 -4.418 -1.322 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.578 -1.816 -0.001 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -12.403 -4.173 0.484 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -12.312 -2.770 1.531 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -12.909 -1.306 -0.375 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -12.992 -2.705 -1.427 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -15.159 -2.280 -1.934 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -16.462 -2.578 -0.778 1.00 0.00 H new ATOM 115 N TRP A 92 -9.318 -2.422 1.909 1.00 0.00 N ATOM 116 CA TRP A 92 -8.334 -2.617 2.935 1.00 0.00 C ATOM 117 C TRP A 92 -8.786 -1.903 4.180 1.00 0.00 C ATOM 118 O TRP A 92 -9.743 -1.124 4.122 1.00 0.00 O ATOM 119 CB TRP A 92 -7.005 -2.046 2.480 1.00 0.00 C ATOM 120 CG TRP A 92 -6.443 -2.721 1.284 1.00 0.00 C ATOM 121 CD1 TRP A 92 -6.738 -2.459 -0.020 1.00 0.00 C ATOM 122 CD2 TRP A 92 -5.482 -3.763 1.283 1.00 0.00 C ATOM 123 NE1 TRP A 92 -6.041 -3.295 -0.834 1.00 0.00 N ATOM 124 CE2 TRP A 92 -5.243 -4.107 -0.055 1.00 0.00 C ATOM 125 CE3 TRP A 92 -4.800 -4.443 2.295 1.00 0.00 C ATOM 126 CZ2 TRP A 92 -4.343 -5.106 -0.408 1.00 0.00 C ATOM 127 CZ3 TRP A 92 -3.912 -5.427 1.945 1.00 0.00 C ATOM 128 CH2 TRP A 92 -3.687 -5.751 0.604 1.00 0.00 C ATOM 0 H TRP A 92 -9.640 -1.457 1.843 1.00 0.00 H new ATOM 0 HA TRP A 92 -8.216 -3.681 3.137 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -7.131 -0.986 2.262 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -6.289 -2.120 3.298 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -7.426 -1.698 -0.358 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -6.098 -3.318 -1.852 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -4.969 -4.198 3.333 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.168 -5.363 -1.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -3.378 -5.960 2.717 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -2.978 -6.529 0.361 1.00 0.00 H new ATOM 139 N LYS A 93 -8.189 -2.208 5.309 1.00 0.00 N ATOM 140 CA LYS A 93 -8.508 -1.491 6.518 1.00 0.00 C ATOM 141 C LYS A 93 -7.281 -0.755 7.012 1.00 0.00 C ATOM 142 O LYS A 93 -6.144 -1.160 6.737 1.00 0.00 O ATOM 143 CB LYS A 93 -9.036 -2.407 7.627 1.00 0.00 C ATOM 144 CG LYS A 93 -7.986 -3.281 8.277 1.00 0.00 C ATOM 145 CD LYS A 93 -8.621 -4.175 9.336 1.00 0.00 C ATOM 146 CE LYS A 93 -7.634 -5.119 10.016 1.00 0.00 C ATOM 147 NZ LYS A 93 -7.242 -6.251 9.161 1.00 0.00 N ATOM 0 H LYS A 93 -7.487 -2.940 5.414 1.00 0.00 H new ATOM 0 HA LYS A 93 -9.303 -0.787 6.274 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -9.504 -1.792 8.396 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -9.815 -3.046 7.212 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -7.495 -3.894 7.521 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -7.216 -2.658 8.732 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -9.091 -3.548 10.094 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -9.413 -4.764 8.874 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -6.743 -4.560 10.302 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -8.079 -5.501 10.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -6.462 -6.771 9.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -8.055 -6.888 9.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -6.933 -5.895 8.234 1.00 0.00 H new ATOM 161 N VAL A 94 -7.508 0.322 7.700 1.00 0.00 N ATOM 162 CA VAL A 94 -6.448 1.082 8.314 1.00 0.00 C ATOM 163 C VAL A 94 -5.783 0.220 9.373 1.00 0.00 C ATOM 164 O VAL A 94 -6.465 -0.364 10.217 1.00 0.00 O ATOM 165 CB VAL A 94 -6.974 2.389 8.964 1.00 0.00 C ATOM 166 CG1 VAL A 94 -5.849 3.138 9.653 1.00 0.00 C ATOM 167 CG2 VAL A 94 -7.636 3.281 7.931 1.00 0.00 C ATOM 0 H VAL A 94 -8.440 0.706 7.856 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.734 1.365 7.540 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.719 2.112 9.710 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -6.241 4.051 10.102 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.416 2.509 10.430 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -5.081 3.393 8.923 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -7.996 4.190 8.413 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -6.913 3.542 7.158 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -8.476 2.753 7.479 1.00 0.00 H new ATOM 177 N GLY A 95 -4.485 0.118 9.312 1.00 0.00 N ATOM 178 CA GLY A 95 -3.777 -0.680 10.262 1.00 0.00 C ATOM 179 C GLY A 95 -3.568 -2.073 9.765 1.00 0.00 C ATOM 180 O GLY A 95 -3.434 -3.008 10.550 1.00 0.00 O ATOM 0 H GLY A 95 -3.900 0.578 8.614 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -2.812 -0.221 10.476 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -4.332 -0.707 11.200 1.00 0.00 H new ATOM 184 N ASP A 96 -3.599 -2.239 8.466 1.00 0.00 N ATOM 185 CA ASP A 96 -3.315 -3.534 7.897 1.00 0.00 C ATOM 186 C ASP A 96 -2.072 -3.438 7.076 1.00 0.00 C ATOM 187 O ASP A 96 -1.760 -2.382 6.540 1.00 0.00 O ATOM 188 CB ASP A 96 -4.415 -4.009 6.987 1.00 0.00 C ATOM 189 CG ASP A 96 -4.650 -5.491 7.118 1.00 0.00 C ATOM 190 OD1 ASP A 96 -3.711 -6.234 7.440 1.00 0.00 O ATOM 191 OD2 ASP A 96 -5.801 -5.936 6.978 1.00 0.00 O ATOM 0 H ASP A 96 -3.815 -1.506 7.790 1.00 0.00 H new ATOM 0 HA ASP A 96 -3.211 -4.237 8.724 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -5.335 -3.473 7.219 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -4.160 -3.772 5.954 1.00 0.00 H new ATOM 196 N LYS A 97 -1.360 -4.500 7.004 1.00 0.00 N ATOM 197 CA LYS A 97 -0.192 -4.593 6.211 1.00 0.00 C ATOM 198 C LYS A 97 -0.555 -4.936 4.797 1.00 0.00 C ATOM 199 O LYS A 97 -1.527 -5.647 4.546 1.00 0.00 O ATOM 200 CB LYS A 97 0.655 -5.664 6.792 1.00 0.00 C ATOM 201 CG LYS A 97 0.930 -5.402 8.248 1.00 0.00 C ATOM 202 CD LYS A 97 0.625 -6.607 9.106 1.00 0.00 C ATOM 203 CE LYS A 97 -0.863 -6.910 9.130 1.00 0.00 C ATOM 204 NZ LYS A 97 -1.197 -8.052 10.009 1.00 0.00 N ATOM 0 H LYS A 97 -1.581 -5.357 7.512 1.00 0.00 H new ATOM 0 HA LYS A 97 0.342 -3.643 6.201 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.158 -6.627 6.680 1.00 0.00 H new ATOM 0 HB3 LYS A 97 1.596 -5.725 6.246 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.976 -5.122 8.375 1.00 0.00 H new ATOM 0 HG3 LYS A 97 0.330 -4.556 8.584 1.00 0.00 H new ATOM 0 HD2 LYS A 97 1.168 -7.473 8.726 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.978 -6.430 10.122 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.405 -6.026 9.467 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.203 -7.125 8.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.224 -8.217 9.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.703 -8.904 9.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.899 -7.840 10.982 1.00 0.00 H new ATOM 218 N CYS A 98 0.226 -4.465 3.902 1.00 0.00 N ATOM 219 CA CYS A 98 0.017 -4.665 2.516 1.00 0.00 C ATOM 220 C CYS A 98 1.346 -4.475 1.812 1.00 0.00 C ATOM 221 O CYS A 98 2.405 -4.441 2.457 1.00 0.00 O ATOM 222 CB CYS A 98 -1.007 -3.640 2.005 1.00 0.00 C ATOM 223 SG CYS A 98 -0.499 -1.935 2.265 1.00 0.00 S ATOM 0 H CYS A 98 1.055 -3.912 4.118 1.00 0.00 H new ATOM 0 HA CYS A 98 -0.367 -5.666 2.321 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -1.174 -3.804 0.940 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -1.960 -3.808 2.507 1.00 0.00 H new ATOM 0 HG CYS A 98 0.468 -1.898 3.133 1.00 0.00 H new ATOM 229 N SER A 99 1.296 -4.383 0.546 1.00 0.00 N ATOM 230 CA SER A 99 2.437 -4.102 -0.253 1.00 0.00 C ATOM 231 C SER A 99 2.092 -3.003 -1.204 1.00 0.00 C ATOM 232 O SER A 99 0.955 -2.928 -1.690 1.00 0.00 O ATOM 233 CB SER A 99 2.874 -5.342 -0.988 1.00 0.00 C ATOM 234 OG SER A 99 3.276 -6.336 -0.079 1.00 0.00 O ATOM 0 H SER A 99 0.437 -4.503 0.009 1.00 0.00 H new ATOM 0 HA SER A 99 3.268 -3.783 0.376 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.056 -5.714 -1.605 1.00 0.00 H new ATOM 0 HB3 SER A 99 3.697 -5.102 -1.661 1.00 0.00 H new ATOM 0 HG SER A 99 2.972 -7.212 -0.396 1.00 0.00 H new ATOM 240 N ALA A 100 3.018 -2.140 -1.435 1.00 0.00 N ATOM 241 CA ALA A 100 2.797 -1.027 -2.295 1.00 0.00 C ATOM 242 C ALA A 100 3.945 -0.883 -3.249 1.00 0.00 C ATOM 243 O ALA A 100 5.037 -1.437 -3.017 1.00 0.00 O ATOM 244 CB ALA A 100 2.612 0.237 -1.481 1.00 0.00 C ATOM 0 H ALA A 100 3.954 -2.185 -1.032 1.00 0.00 H new ATOM 0 HA ALA A 100 1.887 -1.197 -2.871 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.444 1.080 -2.151 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.753 0.122 -0.820 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.506 0.420 -0.885 1.00 0.00 H new ATOM 250 N ILE A 101 3.699 -0.188 -4.319 1.00 0.00 N ATOM 251 CA ILE A 101 4.690 0.069 -5.312 1.00 0.00 C ATOM 252 C ILE A 101 5.316 1.400 -5.034 1.00 0.00 C ATOM 253 O ILE A 101 4.681 2.461 -5.210 1.00 0.00 O ATOM 254 CB ILE A 101 4.089 0.038 -6.735 1.00 0.00 C ATOM 255 CG1 ILE A 101 3.703 -1.388 -7.120 1.00 0.00 C ATOM 256 CG2 ILE A 101 5.046 0.636 -7.773 1.00 0.00 C ATOM 257 CD1 ILE A 101 4.861 -2.274 -7.510 1.00 0.00 C ATOM 0 H ILE A 101 2.788 0.222 -4.527 1.00 0.00 H new ATOM 0 HA ILE A 101 5.447 -0.714 -5.268 1.00 0.00 H new ATOM 0 HB ILE A 101 3.192 0.657 -6.725 1.00 0.00 H new ATOM 0 HG12 ILE A 101 3.179 -1.847 -6.281 1.00 0.00 H new ATOM 0 HG13 ILE A 101 2.999 -1.347 -7.951 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.585 0.595 -8.760 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.260 1.673 -7.516 1.00 0.00 H new ATOM 0 HG23 ILE A 101 5.975 0.066 -7.783 1.00 0.00 H new ATOM 0 HD11 ILE A 101 4.490 -3.266 -7.767 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.374 -1.845 -8.371 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.557 -2.352 -6.675 1.00 0.00 H new ATOM 269 N TRP A 102 6.535 1.350 -4.584 1.00 0.00 N ATOM 270 CA TRP A 102 7.256 2.533 -4.251 1.00 0.00 C ATOM 271 C TRP A 102 7.524 3.274 -5.491 1.00 0.00 C ATOM 272 O TRP A 102 8.141 2.749 -6.390 1.00 0.00 O ATOM 273 CB TRP A 102 8.561 2.188 -3.597 1.00 0.00 C ATOM 274 CG TRP A 102 9.184 3.341 -2.889 1.00 0.00 C ATOM 275 CD1 TRP A 102 8.542 4.367 -2.262 1.00 0.00 C ATOM 276 CD2 TRP A 102 10.562 3.574 -2.717 1.00 0.00 C ATOM 277 NE1 TRP A 102 9.454 5.214 -1.709 1.00 0.00 N ATOM 278 CE2 TRP A 102 10.702 4.741 -1.966 1.00 0.00 C ATOM 279 CE3 TRP A 102 11.693 2.912 -3.120 1.00 0.00 C ATOM 280 CZ2 TRP A 102 11.936 5.244 -1.614 1.00 0.00 C ATOM 281 CZ3 TRP A 102 12.909 3.425 -2.773 1.00 0.00 C ATOM 282 CH2 TRP A 102 13.014 4.580 -2.024 1.00 0.00 C ATOM 0 H TRP A 102 7.054 0.484 -4.439 1.00 0.00 H new ATOM 0 HA TRP A 102 6.666 3.133 -3.558 1.00 0.00 H new ATOM 0 HB2 TRP A 102 8.401 1.377 -2.887 1.00 0.00 H new ATOM 0 HB3 TRP A 102 9.253 1.817 -4.354 1.00 0.00 H new ATOM 0 HD1 TRP A 102 7.470 4.490 -2.211 1.00 0.00 H new ATOM 0 HE1 TRP A 102 9.236 6.063 -1.188 1.00 0.00 H new ATOM 0 HE3 TRP A 102 11.623 2.004 -3.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 12.025 6.146 -1.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 13.808 2.917 -3.091 1.00 0.00 H new ATOM 0 HH2 TRP A 102 13.994 4.953 -1.765 1.00 0.00 H new ATOM 293 N SER A 103 7.103 4.485 -5.523 1.00 0.00 N ATOM 294 CA SER A 103 7.225 5.319 -6.671 1.00 0.00 C ATOM 295 C SER A 103 8.673 5.566 -7.065 1.00 0.00 C ATOM 296 O SER A 103 8.977 5.860 -8.221 1.00 0.00 O ATOM 297 CB SER A 103 6.567 6.600 -6.344 1.00 0.00 C ATOM 298 OG SER A 103 5.191 6.412 -6.108 1.00 0.00 O ATOM 0 H SER A 103 6.650 4.941 -4.731 1.00 0.00 H new ATOM 0 HA SER A 103 6.758 4.826 -7.524 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.035 7.039 -5.463 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.707 7.305 -7.164 1.00 0.00 H new ATOM 0 HG SER A 103 4.900 7.002 -5.381 1.00 0.00 H new ATOM 304 N GLU A 104 9.553 5.398 -6.119 1.00 0.00 N ATOM 305 CA GLU A 104 10.940 5.696 -6.330 1.00 0.00 C ATOM 306 C GLU A 104 11.702 4.553 -6.999 1.00 0.00 C ATOM 307 O GLU A 104 12.599 4.794 -7.798 1.00 0.00 O ATOM 308 CB GLU A 104 11.594 6.102 -5.044 1.00 0.00 C ATOM 309 CG GLU A 104 10.899 7.275 -4.373 1.00 0.00 C ATOM 310 CD GLU A 104 11.777 8.044 -3.412 1.00 0.00 C ATOM 311 OE1 GLU A 104 12.913 8.407 -3.786 1.00 0.00 O ATOM 312 OE2 GLU A 104 11.329 8.353 -2.290 1.00 0.00 O ATOM 0 H GLU A 104 9.331 5.053 -5.185 1.00 0.00 H new ATOM 0 HA GLU A 104 10.979 6.535 -7.025 1.00 0.00 H new ATOM 0 HB2 GLU A 104 11.602 5.252 -4.362 1.00 0.00 H new ATOM 0 HB3 GLU A 104 12.634 6.365 -5.238 1.00 0.00 H new ATOM 0 HG2 GLU A 104 10.536 7.957 -5.142 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.025 6.907 -3.835 1.00 0.00 H new ATOM 319 N ASP A 105 11.378 3.319 -6.662 1.00 0.00 N ATOM 320 CA ASP A 105 12.054 2.180 -7.343 1.00 0.00 C ATOM 321 C ASP A 105 11.118 1.476 -8.277 1.00 0.00 C ATOM 322 O ASP A 105 11.535 0.705 -9.127 1.00 0.00 O ATOM 323 CB ASP A 105 12.616 1.128 -6.363 1.00 0.00 C ATOM 324 CG ASP A 105 13.864 1.546 -5.629 1.00 0.00 C ATOM 325 OD1 ASP A 105 14.748 2.161 -6.237 1.00 0.00 O ATOM 326 OD2 ASP A 105 14.012 1.213 -4.445 1.00 0.00 O ATOM 0 H ASP A 105 10.687 3.064 -5.957 1.00 0.00 H new ATOM 0 HA ASP A 105 12.884 2.629 -7.888 1.00 0.00 H new ATOM 0 HB2 ASP A 105 11.845 0.887 -5.631 1.00 0.00 H new ATOM 0 HB3 ASP A 105 12.827 0.213 -6.917 1.00 0.00 H new ATOM 331 N GLY A 106 9.850 1.725 -8.104 1.00 0.00 N ATOM 332 CA GLY A 106 8.822 1.100 -8.925 1.00 0.00 C ATOM 333 C GLY A 106 8.564 -0.336 -8.505 1.00 0.00 C ATOM 334 O GLY A 106 7.753 -1.042 -9.104 1.00 0.00 O ATOM 0 H GLY A 106 9.489 2.363 -7.395 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.898 1.673 -8.849 1.00 0.00 H new ATOM 0 HA3 GLY A 106 9.127 1.124 -9.971 1.00 0.00 H new ATOM 338 N CYS A 107 9.281 -0.758 -7.498 1.00 0.00 N ATOM 339 CA CYS A 107 9.246 -2.075 -6.987 1.00 0.00 C ATOM 340 C CYS A 107 8.214 -2.226 -5.876 1.00 0.00 C ATOM 341 O CYS A 107 7.703 -1.228 -5.343 1.00 0.00 O ATOM 342 CB CYS A 107 10.626 -2.392 -6.493 1.00 0.00 C ATOM 343 SG CYS A 107 11.886 -2.463 -7.778 1.00 0.00 S ATOM 0 H CYS A 107 9.932 -0.153 -6.998 1.00 0.00 H new ATOM 0 HA CYS A 107 8.946 -2.772 -7.769 1.00 0.00 H new ATOM 0 HB2 CYS A 107 10.916 -1.640 -5.759 1.00 0.00 H new ATOM 0 HB3 CYS A 107 10.601 -3.350 -5.974 1.00 0.00 H new ATOM 0 HG CYS A 107 11.913 -1.334 -8.422 1.00 0.00 H new ATOM 349 N ILE A 108 7.933 -3.460 -5.525 1.00 0.00 N ATOM 350 CA ILE A 108 6.993 -3.781 -4.484 1.00 0.00 C ATOM 351 C ILE A 108 7.712 -3.845 -3.159 1.00 0.00 C ATOM 352 O ILE A 108 8.778 -4.456 -3.056 1.00 0.00 O ATOM 353 CB ILE A 108 6.348 -5.155 -4.714 1.00 0.00 C ATOM 354 CG1 ILE A 108 5.856 -5.271 -6.149 1.00 0.00 C ATOM 355 CG2 ILE A 108 5.205 -5.333 -3.731 1.00 0.00 C ATOM 356 CD1 ILE A 108 5.158 -6.582 -6.486 1.00 0.00 C ATOM 0 H ILE A 108 8.358 -4.277 -5.962 1.00 0.00 H new ATOM 0 HA ILE A 108 6.225 -3.008 -4.489 1.00 0.00 H new ATOM 0 HB ILE A 108 7.084 -5.942 -4.550 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.169 -4.449 -6.349 1.00 0.00 H new ATOM 0 HG13 ILE A 108 6.706 -5.146 -6.820 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.740 -6.306 -3.886 1.00 0.00 H new ATOM 0 HG22 ILE A 108 5.588 -5.272 -2.712 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.465 -4.548 -3.888 1.00 0.00 H new ATOM 0 HD11 ILE A 108 4.844 -6.569 -7.530 1.00 0.00 H new ATOM 0 HD12 ILE A 108 5.845 -7.412 -6.324 1.00 0.00 H new ATOM 0 HD13 ILE A 108 4.284 -6.704 -5.846 1.00 0.00 H new ATOM 368 N TYR A 109 7.157 -3.222 -2.174 1.00 0.00 N ATOM 369 CA TYR A 109 7.720 -3.232 -0.852 1.00 0.00 C ATOM 370 C TYR A 109 6.616 -3.373 0.185 1.00 0.00 C ATOM 371 O TYR A 109 5.466 -2.979 -0.079 1.00 0.00 O ATOM 372 CB TYR A 109 8.504 -1.962 -0.599 1.00 0.00 C ATOM 373 CG TYR A 109 9.756 -1.791 -1.440 1.00 0.00 C ATOM 374 CD1 TYR A 109 9.716 -1.152 -2.673 1.00 0.00 C ATOM 375 CD2 TYR A 109 10.980 -2.231 -0.974 1.00 0.00 C ATOM 376 CE1 TYR A 109 10.867 -0.962 -3.408 1.00 0.00 C ATOM 377 CE2 TYR A 109 12.134 -2.040 -1.699 1.00 0.00 C ATOM 378 CZ TYR A 109 12.078 -1.403 -2.912 1.00 0.00 C ATOM 379 OH TYR A 109 13.245 -1.216 -3.643 1.00 0.00 O ATOM 0 H TYR A 109 6.293 -2.686 -2.257 1.00 0.00 H new ATOM 0 HA TYR A 109 8.397 -4.082 -0.772 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.849 -1.109 -0.776 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.787 -1.933 0.453 1.00 0.00 H new ATOM 0 HD1 TYR A 109 8.772 -0.800 -3.061 1.00 0.00 H new ATOM 0 HD2 TYR A 109 11.032 -2.736 -0.021 1.00 0.00 H new ATOM 0 HE1 TYR A 109 10.822 -0.470 -4.368 1.00 0.00 H new ATOM 0 HE2 TYR A 109 13.080 -2.391 -1.314 1.00 0.00 H new ATOM 0 HH TYR A 109 13.246 -0.317 -4.033 1.00 0.00 H new ATOM 389 N PRO A 110 6.925 -3.960 1.360 1.00 0.00 N ATOM 390 CA PRO A 110 5.948 -4.123 2.431 1.00 0.00 C ATOM 391 C PRO A 110 5.604 -2.784 3.071 1.00 0.00 C ATOM 392 O PRO A 110 6.489 -1.978 3.395 1.00 0.00 O ATOM 393 CB PRO A 110 6.658 -5.024 3.445 1.00 0.00 C ATOM 394 CG PRO A 110 8.109 -4.787 3.211 1.00 0.00 C ATOM 395 CD PRO A 110 8.254 -4.489 1.745 1.00 0.00 C ATOM 0 HA PRO A 110 5.008 -4.540 2.070 1.00 0.00 H new ATOM 0 HB2 PRO A 110 6.375 -4.770 4.467 1.00 0.00 H new ATOM 0 HB3 PRO A 110 6.398 -6.072 3.294 1.00 0.00 H new ATOM 0 HG2 PRO A 110 8.470 -3.954 3.815 1.00 0.00 H new ATOM 0 HG3 PRO A 110 8.696 -5.662 3.490 1.00 0.00 H new ATOM 0 HD2 PRO A 110 9.043 -3.760 1.561 1.00 0.00 H new ATOM 0 HD3 PRO A 110 8.508 -5.384 1.178 1.00 0.00 H new ATOM 403 N ALA A 111 4.346 -2.547 3.251 1.00 0.00 N ATOM 404 CA ALA A 111 3.892 -1.322 3.817 1.00 0.00 C ATOM 405 C ALA A 111 2.675 -1.573 4.669 1.00 0.00 C ATOM 406 O ALA A 111 1.980 -2.551 4.484 1.00 0.00 O ATOM 407 CB ALA A 111 3.575 -0.330 2.719 1.00 0.00 C ATOM 0 H ALA A 111 3.602 -3.201 3.008 1.00 0.00 H new ATOM 0 HA ALA A 111 4.679 -0.904 4.445 1.00 0.00 H new ATOM 0 HB1 ALA A 111 3.228 0.604 3.161 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.472 -0.141 2.129 1.00 0.00 H new ATOM 0 HB3 ALA A 111 2.796 -0.737 2.075 1.00 0.00 H new ATOM 413 N THR A 112 2.422 -0.714 5.588 1.00 0.00 N ATOM 414 CA THR A 112 1.278 -0.852 6.444 1.00 0.00 C ATOM 415 C THR A 112 0.398 0.376 6.260 1.00 0.00 C ATOM 416 O THR A 112 0.902 1.495 6.203 1.00 0.00 O ATOM 417 CB THR A 112 1.725 -0.967 7.910 1.00 0.00 C ATOM 418 OG1 THR A 112 2.746 -1.986 8.000 1.00 0.00 O ATOM 419 CG2 THR A 112 0.545 -1.370 8.788 1.00 0.00 C ATOM 0 H THR A 112 2.996 0.108 5.776 1.00 0.00 H new ATOM 0 HA THR A 112 0.723 -1.754 6.186 1.00 0.00 H new ATOM 0 HB THR A 112 2.110 -0.005 8.250 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.578 -1.651 7.606 1.00 0.00 H new ATOM 0 HG21 THR A 112 0.873 -1.449 9.825 1.00 0.00 H new ATOM 0 HG22 THR A 112 -0.239 -0.617 8.712 1.00 0.00 H new ATOM 0 HG23 THR A 112 0.157 -2.333 8.456 1.00 0.00 H new ATOM 427 N ILE A 113 -0.879 0.166 6.144 1.00 0.00 N ATOM 428 CA ILE A 113 -1.827 1.229 5.908 1.00 0.00 C ATOM 429 C ILE A 113 -1.969 2.108 7.145 1.00 0.00 C ATOM 430 O ILE A 113 -2.282 1.617 8.238 1.00 0.00 O ATOM 431 CB ILE A 113 -3.180 0.625 5.546 1.00 0.00 C ATOM 432 CG1 ILE A 113 -3.000 -0.324 4.368 1.00 0.00 C ATOM 433 CG2 ILE A 113 -4.168 1.725 5.195 1.00 0.00 C ATOM 434 CD1 ILE A 113 -4.121 -1.288 4.208 1.00 0.00 C ATOM 0 H ILE A 113 -1.304 -0.759 6.211 1.00 0.00 H new ATOM 0 HA ILE A 113 -1.467 1.848 5.086 1.00 0.00 H new ATOM 0 HB ILE A 113 -3.575 0.073 6.399 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -2.900 0.260 3.453 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -2.070 -0.878 4.496 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -5.130 1.282 4.938 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -4.291 2.390 6.050 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -3.792 2.294 4.344 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -3.927 -1.933 3.351 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -4.208 -1.897 5.108 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -5.051 -0.742 4.048 1.00 0.00 H new ATOM 446 N ALA A 114 -1.738 3.380 6.971 1.00 0.00 N ATOM 447 CA ALA A 114 -1.804 4.326 8.057 1.00 0.00 C ATOM 448 C ALA A 114 -3.147 5.021 8.095 1.00 0.00 C ATOM 449 O ALA A 114 -3.651 5.324 9.162 1.00 0.00 O ATOM 450 CB ALA A 114 -0.684 5.332 7.945 1.00 0.00 C ATOM 0 H ALA A 114 -1.498 3.794 6.070 1.00 0.00 H new ATOM 0 HA ALA A 114 -1.687 3.778 8.992 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -0.747 6.040 8.772 1.00 0.00 H new ATOM 0 HB2 ALA A 114 0.275 4.815 7.982 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -0.770 5.869 7.000 1.00 0.00 H new ATOM 456 N SER A 115 -3.710 5.290 6.937 1.00 0.00 N ATOM 457 CA SER A 115 -5.019 5.919 6.816 1.00 0.00 C ATOM 458 C SER A 115 -5.549 5.663 5.420 1.00 0.00 C ATOM 459 O SER A 115 -4.758 5.511 4.492 1.00 0.00 O ATOM 460 CB SER A 115 -4.942 7.443 7.076 1.00 0.00 C ATOM 461 OG SER A 115 -4.481 7.727 8.396 1.00 0.00 O ATOM 0 H SER A 115 -3.272 5.078 6.040 1.00 0.00 H new ATOM 0 HA SER A 115 -5.686 5.491 7.564 1.00 0.00 H new ATOM 0 HB2 SER A 115 -4.273 7.904 6.349 1.00 0.00 H new ATOM 0 HB3 SER A 115 -5.926 7.888 6.930 1.00 0.00 H new ATOM 0 HG SER A 115 -4.472 6.902 8.924 1.00 0.00 H new ATOM 467 N ILE A 116 -6.853 5.587 5.278 1.00 0.00 N ATOM 468 CA ILE A 116 -7.489 5.351 4.007 1.00 0.00 C ATOM 469 C ILE A 116 -8.479 6.454 3.724 1.00 0.00 C ATOM 470 O ILE A 116 -9.336 6.764 4.562 1.00 0.00 O ATOM 471 CB ILE A 116 -8.257 4.002 3.984 1.00 0.00 C ATOM 472 CG1 ILE A 116 -7.312 2.836 4.242 1.00 0.00 C ATOM 473 CG2 ILE A 116 -8.994 3.818 2.656 1.00 0.00 C ATOM 474 CD1 ILE A 116 -7.989 1.499 4.286 1.00 0.00 C ATOM 0 H ILE A 116 -7.508 5.689 6.053 1.00 0.00 H new ATOM 0 HA ILE A 116 -6.702 5.322 3.253 1.00 0.00 H new ATOM 0 HB ILE A 116 -8.998 4.022 4.783 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -6.550 2.820 3.463 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -6.797 3.002 5.188 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -9.525 2.866 2.663 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -9.708 4.630 2.520 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -8.275 3.826 1.837 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -7.248 0.722 4.474 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -8.731 1.493 5.084 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -8.481 1.309 3.332 1.00 0.00 H new ATOM 486 N ASP A 117 -8.386 7.017 2.565 1.00 0.00 N ATOM 487 CA ASP A 117 -9.305 8.017 2.144 1.00 0.00 C ATOM 488 C ASP A 117 -10.221 7.395 1.138 1.00 0.00 C ATOM 489 O ASP A 117 -9.848 7.185 -0.014 1.00 0.00 O ATOM 490 CB ASP A 117 -8.610 9.227 1.543 1.00 0.00 C ATOM 491 CG ASP A 117 -9.596 10.332 1.260 1.00 0.00 C ATOM 492 OD1 ASP A 117 -10.201 10.348 0.184 1.00 0.00 O ATOM 493 OD2 ASP A 117 -9.788 11.204 2.134 1.00 0.00 O ATOM 0 H ASP A 117 -7.664 6.793 1.880 1.00 0.00 H new ATOM 0 HA ASP A 117 -9.857 8.379 3.011 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -7.842 9.587 2.228 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.106 8.940 0.620 1.00 0.00 H new ATOM 498 N PHE A 118 -11.406 7.062 1.574 1.00 0.00 N ATOM 499 CA PHE A 118 -12.373 6.373 0.732 1.00 0.00 C ATOM 500 C PHE A 118 -12.973 7.288 -0.321 1.00 0.00 C ATOM 501 O PHE A 118 -13.616 6.826 -1.260 1.00 0.00 O ATOM 502 CB PHE A 118 -13.469 5.731 1.577 1.00 0.00 C ATOM 503 CG PHE A 118 -13.001 4.573 2.424 1.00 0.00 C ATOM 504 CD1 PHE A 118 -12.945 3.293 1.898 1.00 0.00 C ATOM 505 CD2 PHE A 118 -12.621 4.762 3.744 1.00 0.00 C ATOM 506 CE1 PHE A 118 -12.521 2.226 2.670 1.00 0.00 C ATOM 507 CE2 PHE A 118 -12.194 3.699 4.520 1.00 0.00 C ATOM 508 CZ PHE A 118 -12.145 2.429 3.982 1.00 0.00 C ATOM 0 H PHE A 118 -11.737 7.256 2.519 1.00 0.00 H new ATOM 0 HA PHE A 118 -11.833 5.586 0.205 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -13.902 6.491 2.228 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -14.265 5.385 0.917 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -13.236 3.126 0.872 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -12.659 5.753 4.172 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -12.484 1.234 2.245 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -11.899 3.863 5.546 1.00 0.00 H new ATOM 0 HZ PHE A 118 -11.814 1.597 4.586 1.00 0.00 H new ATOM 518 N LYS A 119 -12.751 8.569 -0.165 1.00 0.00 N ATOM 519 CA LYS A 119 -13.239 9.564 -1.101 1.00 0.00 C ATOM 520 C LYS A 119 -12.418 9.508 -2.379 1.00 0.00 C ATOM 521 O LYS A 119 -12.947 9.622 -3.482 1.00 0.00 O ATOM 522 CB LYS A 119 -13.194 10.995 -0.506 1.00 0.00 C ATOM 523 CG LYS A 119 -14.114 11.272 0.696 1.00 0.00 C ATOM 524 CD LYS A 119 -13.735 10.482 1.944 1.00 0.00 C ATOM 525 CE LYS A 119 -14.627 10.831 3.122 1.00 0.00 C ATOM 526 NZ LYS A 119 -16.067 10.599 2.841 1.00 0.00 N ATOM 0 H LYS A 119 -12.225 8.958 0.617 1.00 0.00 H new ATOM 0 HA LYS A 119 -14.282 9.333 -1.318 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -12.168 11.206 -0.205 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -13.446 11.701 -1.297 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -14.087 12.337 0.927 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -15.141 11.032 0.421 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -13.809 9.415 1.735 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -12.696 10.685 2.202 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -14.330 10.237 3.986 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -14.477 11.877 3.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -16.614 10.706 3.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -16.400 11.291 2.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -16.197 9.637 2.467 1.00 0.00 H new ATOM 540 N ARG A 120 -11.117 9.338 -2.226 1.00 0.00 N ATOM 541 CA ARG A 120 -10.229 9.224 -3.367 1.00 0.00 C ATOM 542 C ARG A 120 -9.897 7.773 -3.657 1.00 0.00 C ATOM 543 O ARG A 120 -9.259 7.463 -4.670 1.00 0.00 O ATOM 544 CB ARG A 120 -8.945 10.000 -3.099 1.00 0.00 C ATOM 545 CG ARG A 120 -9.159 11.478 -2.851 1.00 0.00 C ATOM 546 CD ARG A 120 -9.758 12.164 -4.069 1.00 0.00 C ATOM 547 NE ARG A 120 -9.954 13.605 -3.869 1.00 0.00 N ATOM 548 CZ ARG A 120 -10.406 14.457 -4.812 1.00 0.00 C ATOM 549 NH1 ARG A 120 -10.579 14.043 -6.069 1.00 0.00 N ATOM 550 NH2 ARG A 120 -10.632 15.726 -4.508 1.00 0.00 N ATOM 0 H ARG A 120 -10.652 9.276 -1.320 1.00 0.00 H new ATOM 0 HA ARG A 120 -10.736 9.640 -4.237 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -8.444 9.566 -2.234 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -8.275 9.878 -3.950 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -9.819 11.613 -1.994 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -8.208 11.947 -2.598 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -9.105 12.006 -4.927 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -10.716 11.701 -4.307 1.00 0.00 H new ATOM 0 HE ARG A 120 -9.732 13.990 -2.951 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -10.369 13.077 -6.321 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -10.921 14.692 -6.777 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -10.464 16.061 -3.559 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -10.974 16.369 -5.223 1.00 0.00 H new ATOM 564 N GLU A 121 -10.336 6.889 -2.761 1.00 0.00 N ATOM 565 CA GLU A 121 -10.064 5.449 -2.832 1.00 0.00 C ATOM 566 C GLU A 121 -8.566 5.189 -2.742 1.00 0.00 C ATOM 567 O GLU A 121 -8.044 4.191 -3.266 1.00 0.00 O ATOM 568 CB GLU A 121 -10.683 4.808 -4.084 1.00 0.00 C ATOM 569 CG GLU A 121 -12.199 4.788 -4.061 1.00 0.00 C ATOM 570 CD GLU A 121 -12.795 4.189 -5.303 1.00 0.00 C ATOM 571 OE1 GLU A 121 -12.759 2.949 -5.469 1.00 0.00 O ATOM 572 OE2 GLU A 121 -13.328 4.948 -6.143 1.00 0.00 O ATOM 0 H GLU A 121 -10.899 7.155 -1.953 1.00 0.00 H new ATOM 0 HA GLU A 121 -10.542 4.973 -1.976 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -10.347 5.353 -4.966 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -10.315 3.787 -4.181 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -12.537 4.222 -3.193 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -12.569 5.806 -3.941 1.00 0.00 H new ATOM 579 N THR A 122 -7.891 6.056 -2.044 1.00 0.00 N ATOM 580 CA THR A 122 -6.488 5.937 -1.859 1.00 0.00 C ATOM 581 C THR A 122 -6.188 5.819 -0.380 1.00 0.00 C ATOM 582 O THR A 122 -7.051 6.077 0.450 1.00 0.00 O ATOM 583 CB THR A 122 -5.737 7.142 -2.458 1.00 0.00 C ATOM 584 OG1 THR A 122 -6.238 8.368 -1.894 1.00 0.00 O ATOM 585 CG2 THR A 122 -5.889 7.191 -3.965 1.00 0.00 C ATOM 0 H THR A 122 -8.308 6.867 -1.588 1.00 0.00 H new ATOM 0 HA THR A 122 -6.145 5.043 -2.379 1.00 0.00 H new ATOM 0 HB THR A 122 -4.680 7.027 -2.216 1.00 0.00 H new ATOM 0 HG1 THR A 122 -5.753 9.128 -2.280 1.00 0.00 H new ATOM 0 HG21 THR A 122 -5.348 8.052 -4.357 1.00 0.00 H new ATOM 0 HG22 THR A 122 -5.484 6.278 -4.401 1.00 0.00 H new ATOM 0 HG23 THR A 122 -6.945 7.278 -4.222 1.00 0.00 H new ATOM 593 N CYS A 123 -5.012 5.421 -0.056 1.00 0.00 N ATOM 594 CA CYS A 123 -4.609 5.285 1.305 1.00 0.00 C ATOM 595 C CYS A 123 -3.147 5.576 1.430 1.00 0.00 C ATOM 596 O CYS A 123 -2.388 5.389 0.476 1.00 0.00 O ATOM 597 CB CYS A 123 -4.895 3.876 1.781 1.00 0.00 C ATOM 598 SG CYS A 123 -4.180 2.605 0.729 1.00 0.00 S ATOM 0 H CYS A 123 -4.290 5.176 -0.733 1.00 0.00 H new ATOM 0 HA CYS A 123 -5.167 5.992 1.919 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -4.509 3.758 2.794 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -5.974 3.730 1.832 1.00 0.00 H new ATOM 0 HG CYS A 123 -3.078 2.168 1.264 1.00 0.00 H new ATOM 604 N VAL A 124 -2.753 6.021 2.569 1.00 0.00 N ATOM 605 CA VAL A 124 -1.378 6.263 2.836 1.00 0.00 C ATOM 606 C VAL A 124 -0.836 5.049 3.535 1.00 0.00 C ATOM 607 O VAL A 124 -1.439 4.560 4.511 1.00 0.00 O ATOM 608 CB VAL A 124 -1.164 7.515 3.725 1.00 0.00 C ATOM 609 CG1 VAL A 124 0.316 7.723 4.010 1.00 0.00 C ATOM 610 CG2 VAL A 124 -1.742 8.747 3.056 1.00 0.00 C ATOM 0 H VAL A 124 -3.378 6.229 3.348 1.00 0.00 H new ATOM 0 HA VAL A 124 -0.860 6.452 1.896 1.00 0.00 H new ATOM 0 HB VAL A 124 -1.682 7.353 4.670 1.00 0.00 H new ATOM 0 HG11 VAL A 124 0.445 8.606 4.635 1.00 0.00 H new ATOM 0 HG12 VAL A 124 0.713 6.850 4.528 1.00 0.00 H new ATOM 0 HG13 VAL A 124 0.851 7.862 3.071 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -1.583 9.616 3.694 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -1.249 8.906 2.097 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -2.811 8.606 2.895 1.00 0.00 H new ATOM 620 N VAL A 125 0.269 4.564 3.066 1.00 0.00 N ATOM 621 CA VAL A 125 0.876 3.415 3.638 1.00 0.00 C ATOM 622 C VAL A 125 2.285 3.773 4.056 1.00 0.00 C ATOM 623 O VAL A 125 2.936 4.624 3.438 1.00 0.00 O ATOM 624 CB VAL A 125 0.929 2.202 2.638 1.00 0.00 C ATOM 625 CG1 VAL A 125 -0.449 1.797 2.135 1.00 0.00 C ATOM 626 CG2 VAL A 125 1.863 2.484 1.466 1.00 0.00 C ATOM 0 H VAL A 125 0.774 4.958 2.272 1.00 0.00 H new ATOM 0 HA VAL A 125 0.273 3.107 4.492 1.00 0.00 H new ATOM 0 HB VAL A 125 1.328 1.360 3.204 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -0.353 0.956 1.449 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -1.074 1.507 2.980 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -0.909 2.638 1.616 1.00 0.00 H new ATOM 0 HG21 VAL A 125 1.875 1.625 0.795 1.00 0.00 H new ATOM 0 HG22 VAL A 125 1.512 3.362 0.924 1.00 0.00 H new ATOM 0 HG23 VAL A 125 2.871 2.667 1.840 1.00 0.00 H new ATOM 636 N VAL A 126 2.719 3.169 5.104 1.00 0.00 N ATOM 637 CA VAL A 126 4.034 3.359 5.621 1.00 0.00 C ATOM 638 C VAL A 126 4.856 2.147 5.300 1.00 0.00 C ATOM 639 O VAL A 126 4.503 1.038 5.696 1.00 0.00 O ATOM 640 CB VAL A 126 4.023 3.606 7.152 1.00 0.00 C ATOM 641 CG1 VAL A 126 5.445 3.595 7.713 1.00 0.00 C ATOM 642 CG2 VAL A 126 3.330 4.935 7.468 1.00 0.00 C ATOM 0 H VAL A 126 2.157 2.510 5.643 1.00 0.00 H new ATOM 0 HA VAL A 126 4.466 4.245 5.156 1.00 0.00 H new ATOM 0 HB VAL A 126 3.465 2.800 7.628 1.00 0.00 H new ATOM 0 HG11 VAL A 126 5.413 3.770 8.788 1.00 0.00 H new ATOM 0 HG12 VAL A 126 5.906 2.627 7.517 1.00 0.00 H new ATOM 0 HG13 VAL A 126 6.031 4.380 7.235 1.00 0.00 H new ATOM 0 HG21 VAL A 126 3.328 5.097 8.546 1.00 0.00 H new ATOM 0 HG22 VAL A 126 3.865 5.749 6.979 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.303 4.905 7.104 1.00 0.00 H new ATOM 652 N TYR A 127 5.918 2.356 4.574 1.00 0.00 N ATOM 653 CA TYR A 127 6.800 1.297 4.175 1.00 0.00 C ATOM 654 C TYR A 127 7.532 0.765 5.361 1.00 0.00 C ATOM 655 O TYR A 127 8.356 1.472 5.994 1.00 0.00 O ATOM 656 CB TYR A 127 7.750 1.748 3.101 1.00 0.00 C ATOM 657 CG TYR A 127 7.062 2.077 1.813 1.00 0.00 C ATOM 658 CD1 TYR A 127 6.614 1.059 0.978 1.00 0.00 C ATOM 659 CD2 TYR A 127 6.853 3.386 1.426 1.00 0.00 C ATOM 660 CE1 TYR A 127 5.984 1.341 -0.202 1.00 0.00 C ATOM 661 CE2 TYR A 127 6.214 3.674 0.251 1.00 0.00 C ATOM 662 CZ TYR A 127 5.784 2.648 -0.560 1.00 0.00 C ATOM 663 OH TYR A 127 5.116 2.926 -1.719 1.00 0.00 O ATOM 0 H TYR A 127 6.198 3.278 4.239 1.00 0.00 H new ATOM 0 HA TYR A 127 6.200 0.492 3.751 1.00 0.00 H new ATOM 0 HB2 TYR A 127 8.295 2.625 3.450 1.00 0.00 H new ATOM 0 HB3 TYR A 127 8.487 0.965 2.923 1.00 0.00 H new ATOM 0 HD1 TYR A 127 6.766 0.029 1.266 1.00 0.00 H new ATOM 0 HD2 TYR A 127 7.198 4.191 2.058 1.00 0.00 H new ATOM 0 HE1 TYR A 127 5.647 0.542 -0.845 1.00 0.00 H new ATOM 0 HE2 TYR A 127 6.048 4.701 -0.039 1.00 0.00 H new ATOM 0 HH TYR A 127 5.257 3.865 -1.960 1.00 0.00 H new ATOM 673 N THR A 128 7.242 -0.458 5.653 1.00 0.00 N ATOM 674 CA THR A 128 7.694 -1.105 6.814 1.00 0.00 C ATOM 675 C THR A 128 9.204 -1.320 6.787 1.00 0.00 C ATOM 676 O THR A 128 9.765 -1.844 5.815 1.00 0.00 O ATOM 677 CB THR A 128 6.952 -2.434 6.928 1.00 0.00 C ATOM 678 OG1 THR A 128 5.532 -2.163 6.949 1.00 0.00 O ATOM 679 CG2 THR A 128 7.362 -3.190 8.173 1.00 0.00 C ATOM 0 H THR A 128 6.660 -1.048 5.059 1.00 0.00 H new ATOM 0 HA THR A 128 7.488 -0.482 7.685 1.00 0.00 H new ATOM 0 HB THR A 128 7.204 -3.061 6.073 1.00 0.00 H new ATOM 0 HG1 THR A 128 5.039 -3.007 7.020 1.00 0.00 H new ATOM 0 HG21 THR A 128 6.815 -4.131 8.224 1.00 0.00 H new ATOM 0 HG22 THR A 128 8.432 -3.393 8.139 1.00 0.00 H new ATOM 0 HG23 THR A 128 7.134 -2.590 9.054 1.00 0.00 H new ATOM 687 N GLY A 129 9.848 -0.909 7.855 1.00 0.00 N ATOM 688 CA GLY A 129 11.268 -1.047 7.969 1.00 0.00 C ATOM 689 C GLY A 129 11.990 0.184 7.475 1.00 0.00 C ATOM 690 O GLY A 129 13.120 0.443 7.864 1.00 0.00 O ATOM 0 H GLY A 129 9.399 -0.473 8.661 1.00 0.00 H new ATOM 0 HA2 GLY A 129 11.533 -1.231 9.010 1.00 0.00 H new ATOM 0 HA3 GLY A 129 11.596 -1.915 7.398 1.00 0.00 H new ATOM 694 N TYR A 130 11.344 0.955 6.629 1.00 0.00 N ATOM 695 CA TYR A 130 11.974 2.121 6.081 1.00 0.00 C ATOM 696 C TYR A 130 11.496 3.350 6.807 1.00 0.00 C ATOM 697 O TYR A 130 12.296 4.132 7.307 1.00 0.00 O ATOM 698 CB TYR A 130 11.685 2.235 4.601 1.00 0.00 C ATOM 699 CG TYR A 130 12.101 1.029 3.794 1.00 0.00 C ATOM 700 CD1 TYR A 130 13.423 0.835 3.426 1.00 0.00 C ATOM 701 CD2 TYR A 130 11.166 0.100 3.383 1.00 0.00 C ATOM 702 CE1 TYR A 130 13.795 -0.257 2.669 1.00 0.00 C ATOM 703 CE2 TYR A 130 11.526 -0.992 2.634 1.00 0.00 C ATOM 704 CZ TYR A 130 12.837 -1.166 2.277 1.00 0.00 C ATOM 705 OH TYR A 130 13.195 -2.258 1.525 1.00 0.00 O ATOM 0 H TYR A 130 10.389 0.792 6.311 1.00 0.00 H new ATOM 0 HA TYR A 130 13.052 2.031 6.211 1.00 0.00 H new ATOM 0 HB2 TYR A 130 10.616 2.400 4.463 1.00 0.00 H new ATOM 0 HB3 TYR A 130 12.196 3.114 4.209 1.00 0.00 H new ATOM 0 HD1 TYR A 130 14.172 1.548 3.736 1.00 0.00 H new ATOM 0 HD2 TYR A 130 10.130 0.236 3.657 1.00 0.00 H new ATOM 0 HE1 TYR A 130 14.828 -0.398 2.386 1.00 0.00 H new ATOM 0 HE2 TYR A 130 10.780 -1.710 2.328 1.00 0.00 H new ATOM 0 HH TYR A 130 12.748 -2.216 0.654 1.00 0.00 H new ATOM 715 N GLY A 131 10.193 3.503 6.892 1.00 0.00 N ATOM 716 CA GLY A 131 9.647 4.628 7.595 1.00 0.00 C ATOM 717 C GLY A 131 9.085 5.700 6.690 1.00 0.00 C ATOM 718 O GLY A 131 8.783 6.801 7.149 1.00 0.00 O ATOM 0 H GLY A 131 9.505 2.868 6.487 1.00 0.00 H new ATOM 0 HA2 GLY A 131 8.859 4.280 8.262 1.00 0.00 H new ATOM 0 HA3 GLY A 131 10.425 5.065 8.221 1.00 0.00 H new ATOM 722 N ASN A 132 8.941 5.410 5.408 1.00 0.00 N ATOM 723 CA ASN A 132 8.330 6.401 4.506 1.00 0.00 C ATOM 724 C ASN A 132 6.891 6.145 4.391 1.00 0.00 C ATOM 725 O ASN A 132 6.428 5.052 4.682 1.00 0.00 O ATOM 726 CB ASN A 132 8.899 6.451 3.081 1.00 0.00 C ATOM 727 CG ASN A 132 10.233 7.140 2.943 1.00 0.00 C ATOM 728 OD1 ASN A 132 10.965 6.787 1.923 1.00 0.00 O flip ATOM 729 ND2 ASN A 132 10.583 8.023 3.733 1.00 0.00 N flip ATOM 0 H ASN A 132 9.223 4.533 4.970 1.00 0.00 H new ATOM 0 HA ASN A 132 8.561 7.360 4.970 1.00 0.00 H new ATOM 0 HB2 ASN A 132 8.996 5.431 2.710 1.00 0.00 H new ATOM 0 HB3 ASN A 132 8.179 6.957 2.438 1.00 0.00 H new ATOM 0 HD21 ASN A 132 9.983 8.271 4.519 1.00 0.00 H new ATOM 0 HD22 ASN A 132 11.472 8.504 3.599 1.00 0.00 H new ATOM 736 N ARG A 133 6.193 7.111 3.933 1.00 0.00 N ATOM 737 CA ARG A 133 4.795 6.996 3.757 1.00 0.00 C ATOM 738 C ARG A 133 4.438 7.530 2.399 1.00 0.00 C ATOM 739 O ARG A 133 4.970 8.551 1.966 1.00 0.00 O ATOM 740 CB ARG A 133 4.043 7.673 4.921 1.00 0.00 C ATOM 741 CG ARG A 133 4.242 9.176 5.080 1.00 0.00 C ATOM 742 CD ARG A 133 3.242 9.981 4.271 1.00 0.00 C ATOM 743 NE ARG A 133 3.362 11.430 4.517 1.00 0.00 N ATOM 744 CZ ARG A 133 2.504 12.374 4.077 1.00 0.00 C ATOM 745 NH1 ARG A 133 1.482 12.044 3.292 1.00 0.00 N ATOM 746 NH2 ARG A 133 2.682 13.646 4.416 1.00 0.00 N ATOM 0 H ARG A 133 6.579 8.017 3.666 1.00 0.00 H new ATOM 0 HA ARG A 133 4.481 5.953 3.787 1.00 0.00 H new ATOM 0 HB2 ARG A 133 2.977 7.482 4.795 1.00 0.00 H new ATOM 0 HB3 ARG A 133 4.346 7.189 5.850 1.00 0.00 H new ATOM 0 HG2 ARG A 133 4.151 9.442 6.133 1.00 0.00 H new ATOM 0 HG3 ARG A 133 5.253 9.441 4.770 1.00 0.00 H new ATOM 0 HD2 ARG A 133 3.391 9.781 3.210 1.00 0.00 H new ATOM 0 HD3 ARG A 133 2.232 9.655 4.518 1.00 0.00 H new ATOM 0 HE ARG A 133 4.161 11.745 5.066 1.00 0.00 H new ATOM 0 HH11 ARG A 133 1.342 11.071 3.018 1.00 0.00 H new ATOM 0 HH12 ARG A 133 0.838 12.764 2.964 1.00 0.00 H new ATOM 0 HH21 ARG A 133 3.468 13.910 5.010 1.00 0.00 H new ATOM 0 HH22 ARG A 133 2.033 14.358 4.083 1.00 0.00 H new ATOM 760 N GLU A 134 3.603 6.832 1.726 1.00 0.00 N ATOM 761 CA GLU A 134 3.212 7.160 0.395 1.00 0.00 C ATOM 762 C GLU A 134 1.735 6.860 0.217 1.00 0.00 C ATOM 763 O GLU A 134 1.203 5.976 0.890 1.00 0.00 O ATOM 764 CB GLU A 134 4.114 6.390 -0.588 1.00 0.00 C ATOM 765 CG GLU A 134 3.654 6.373 -2.010 1.00 0.00 C ATOM 766 CD GLU A 134 4.794 6.228 -2.986 1.00 0.00 C ATOM 767 OE1 GLU A 134 5.379 5.138 -3.126 1.00 0.00 O ATOM 768 OE2 GLU A 134 5.110 7.223 -3.657 1.00 0.00 O ATOM 0 H GLU A 134 3.156 5.991 2.090 1.00 0.00 H new ATOM 0 HA GLU A 134 3.342 8.223 0.191 1.00 0.00 H new ATOM 0 HB2 GLU A 134 5.113 6.825 -0.553 1.00 0.00 H new ATOM 0 HB3 GLU A 134 4.203 5.360 -0.241 1.00 0.00 H new ATOM 0 HG2 GLU A 134 2.953 5.551 -2.151 1.00 0.00 H new ATOM 0 HG3 GLU A 134 3.112 7.294 -2.224 1.00 0.00 H new ATOM 775 N GLU A 135 1.081 7.592 -0.656 1.00 0.00 N ATOM 776 CA GLU A 135 -0.333 7.446 -0.860 1.00 0.00 C ATOM 777 C GLU A 135 -0.575 6.663 -2.126 1.00 0.00 C ATOM 778 O GLU A 135 -0.224 7.090 -3.233 1.00 0.00 O ATOM 779 CB GLU A 135 -1.021 8.811 -0.896 1.00 0.00 C ATOM 780 CG GLU A 135 -2.534 8.747 -1.050 1.00 0.00 C ATOM 781 CD GLU A 135 -3.184 10.100 -0.937 1.00 0.00 C ATOM 782 OE1 GLU A 135 -3.164 10.868 -1.921 1.00 0.00 O ATOM 783 OE2 GLU A 135 -3.730 10.423 0.136 1.00 0.00 O ATOM 0 H GLU A 135 1.518 8.303 -1.242 1.00 0.00 H new ATOM 0 HA GLU A 135 -0.766 6.896 -0.025 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -0.784 9.349 0.022 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -0.608 9.391 -1.721 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -2.779 8.310 -2.018 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -2.946 8.085 -0.288 1.00 0.00 H new ATOM 790 N GLN A 136 -1.163 5.531 -1.949 1.00 0.00 N ATOM 791 CA GLN A 136 -1.374 4.570 -2.990 1.00 0.00 C ATOM 792 C GLN A 136 -2.849 4.319 -3.119 1.00 0.00 C ATOM 793 O GLN A 136 -3.612 4.662 -2.230 1.00 0.00 O ATOM 794 CB GLN A 136 -0.685 3.275 -2.597 1.00 0.00 C ATOM 795 CG GLN A 136 0.787 3.448 -2.258 1.00 0.00 C ATOM 796 CD GLN A 136 1.668 3.612 -3.477 1.00 0.00 C ATOM 797 OE1 GLN A 136 1.247 4.097 -4.528 1.00 0.00 O ATOM 798 NE2 GLN A 136 2.896 3.284 -3.329 1.00 0.00 N ATOM 0 H GLN A 136 -1.526 5.232 -1.044 1.00 0.00 H new ATOM 0 HA GLN A 136 -0.974 4.937 -3.935 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -1.199 2.846 -1.737 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -0.780 2.560 -3.414 1.00 0.00 H new ATOM 0 HG2 GLN A 136 0.904 4.320 -1.614 1.00 0.00 H new ATOM 0 HG3 GLN A 136 1.125 2.583 -1.688 1.00 0.00 H new ATOM 0 HE21 GLN A 136 3.214 2.884 -2.446 1.00 0.00 H new ATOM 0 HE22 GLN A 136 3.557 3.422 -4.094 1.00 0.00 H new ATOM 807 N ASN A 137 -3.242 3.742 -4.196 1.00 0.00 N ATOM 808 CA ASN A 137 -4.635 3.425 -4.433 1.00 0.00 C ATOM 809 C ASN A 137 -4.910 2.098 -3.804 1.00 0.00 C ATOM 810 O ASN A 137 -4.084 1.199 -3.885 1.00 0.00 O ATOM 811 CB ASN A 137 -4.924 3.303 -5.930 1.00 0.00 C ATOM 812 CG ASN A 137 -4.463 4.482 -6.751 1.00 0.00 C ATOM 813 OD1 ASN A 137 -5.205 5.433 -6.982 1.00 0.00 O ATOM 814 ND2 ASN A 137 -3.228 4.446 -7.172 1.00 0.00 N ATOM 0 H ASN A 137 -2.616 3.468 -4.953 1.00 0.00 H new ATOM 0 HA ASN A 137 -5.258 4.217 -4.016 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -4.442 2.401 -6.309 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -5.997 3.174 -6.071 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -2.850 5.225 -7.712 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -2.641 3.639 -6.961 1.00 0.00 H new ATOM 821 N LEU A 138 -6.048 1.978 -3.194 1.00 0.00 N ATOM 822 CA LEU A 138 -6.497 0.730 -2.556 1.00 0.00 C ATOM 823 C LEU A 138 -6.479 -0.440 -3.545 1.00 0.00 C ATOM 824 O LEU A 138 -6.042 -1.536 -3.224 1.00 0.00 O ATOM 825 CB LEU A 138 -7.905 0.928 -2.028 1.00 0.00 C ATOM 826 CG LEU A 138 -8.063 1.965 -0.934 1.00 0.00 C ATOM 827 CD1 LEU A 138 -9.526 2.279 -0.730 1.00 0.00 C ATOM 828 CD2 LEU A 138 -7.450 1.464 0.357 1.00 0.00 C ATOM 0 H LEU A 138 -6.718 2.743 -3.111 1.00 0.00 H new ATOM 0 HA LEU A 138 -5.815 0.490 -1.740 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -8.549 1.207 -2.862 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -8.268 -0.028 -1.651 1.00 0.00 H new ATOM 0 HG LEU A 138 -7.544 2.876 -1.234 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -9.632 3.025 0.058 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -9.947 2.668 -1.657 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -10.056 1.371 -0.443 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.571 2.219 1.134 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -7.949 0.545 0.664 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -6.389 1.268 0.204 1.00 0.00 H new ATOM 840 N SER A 139 -6.903 -0.173 -4.757 1.00 0.00 N ATOM 841 CA SER A 139 -6.963 -1.178 -5.789 1.00 0.00 C ATOM 842 C SER A 139 -5.575 -1.394 -6.424 1.00 0.00 C ATOM 843 O SER A 139 -5.385 -2.306 -7.231 1.00 0.00 O ATOM 844 CB SER A 139 -8.019 -0.783 -6.848 1.00 0.00 C ATOM 845 OG SER A 139 -8.168 -1.777 -7.865 1.00 0.00 O ATOM 0 H SER A 139 -7.217 0.750 -5.055 1.00 0.00 H new ATOM 0 HA SER A 139 -7.266 -2.126 -5.345 1.00 0.00 H new ATOM 0 HB2 SER A 139 -8.979 -0.622 -6.358 1.00 0.00 H new ATOM 0 HB3 SER A 139 -7.733 0.163 -7.307 1.00 0.00 H new ATOM 0 HG SER A 139 -7.359 -2.329 -7.903 1.00 0.00 H new ATOM 851 N ASP A 140 -4.607 -0.577 -6.044 1.00 0.00 N ATOM 852 CA ASP A 140 -3.259 -0.692 -6.600 1.00 0.00 C ATOM 853 C ASP A 140 -2.352 -1.328 -5.569 1.00 0.00 C ATOM 854 O ASP A 140 -1.188 -1.663 -5.841 1.00 0.00 O ATOM 855 CB ASP A 140 -2.702 0.672 -7.026 1.00 0.00 C ATOM 856 CG ASP A 140 -1.378 0.558 -7.775 1.00 0.00 C ATOM 857 OD1 ASP A 140 -1.357 -0.008 -8.889 1.00 0.00 O ATOM 858 OD2 ASP A 140 -0.345 1.042 -7.271 1.00 0.00 O ATOM 0 H ASP A 140 -4.722 0.169 -5.358 1.00 0.00 H new ATOM 0 HA ASP A 140 -3.306 -1.316 -7.493 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -3.431 1.176 -7.660 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -2.563 1.295 -6.143 1.00 0.00 H new ATOM 863 N LEU A 141 -2.884 -1.491 -4.372 1.00 0.00 N ATOM 864 CA LEU A 141 -2.171 -2.156 -3.320 1.00 0.00 C ATOM 865 C LEU A 141 -1.998 -3.605 -3.666 1.00 0.00 C ATOM 866 O LEU A 141 -2.654 -4.133 -4.575 1.00 0.00 O ATOM 867 CB LEU A 141 -2.863 -2.021 -1.967 1.00 0.00 C ATOM 868 CG LEU A 141 -2.958 -0.620 -1.380 1.00 0.00 C ATOM 869 CD1 LEU A 141 -3.585 -0.676 -0.007 1.00 0.00 C ATOM 870 CD2 LEU A 141 -1.589 0.028 -1.311 1.00 0.00 C ATOM 0 H LEU A 141 -3.815 -1.166 -4.112 1.00 0.00 H new ATOM 0 HA LEU A 141 -1.198 -1.674 -3.230 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -3.873 -2.419 -2.061 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -2.337 -2.654 -1.252 1.00 0.00 H new ATOM 0 HG LEU A 141 -3.588 -0.013 -2.031 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -3.649 0.331 0.405 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -4.586 -1.102 -0.081 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -2.974 -1.298 0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -1.681 1.029 -0.888 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -0.933 -0.573 -0.681 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -1.167 0.095 -2.314 1.00 0.00 H new ATOM 882 N LEU A 142 -1.120 -4.227 -2.981 1.00 0.00 N ATOM 883 CA LEU A 142 -0.781 -5.593 -3.235 1.00 0.00 C ATOM 884 C LEU A 142 -0.778 -6.328 -1.922 1.00 0.00 C ATOM 885 O LEU A 142 -0.737 -5.684 -0.859 1.00 0.00 O ATOM 886 CB LEU A 142 0.602 -5.617 -3.875 1.00 0.00 C ATOM 887 CG LEU A 142 0.744 -4.780 -5.146 1.00 0.00 C ATOM 888 CD1 LEU A 142 2.189 -4.563 -5.478 1.00 0.00 C ATOM 889 CD2 LEU A 142 0.021 -5.434 -6.306 1.00 0.00 C ATOM 0 H LEU A 142 -0.600 -3.805 -2.212 1.00 0.00 H new ATOM 0 HA LEU A 142 -1.495 -6.072 -3.905 1.00 0.00 H new ATOM 0 HB2 LEU A 142 1.330 -5.265 -3.144 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.859 -6.650 -4.109 1.00 0.00 H new ATOM 0 HG LEU A 142 0.285 -3.808 -4.965 1.00 0.00 H new ATOM 0 HD11 LEU A 142 2.268 -3.965 -6.386 1.00 0.00 H new ATOM 0 HD12 LEU A 142 2.677 -4.040 -4.655 1.00 0.00 H new ATOM 0 HD13 LEU A 142 2.675 -5.526 -5.634 1.00 0.00 H new ATOM 0 HD21 LEU A 142 0.136 -4.820 -7.199 1.00 0.00 H new ATOM 0 HD22 LEU A 142 0.444 -6.422 -6.488 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -1.038 -5.531 -6.067 1.00 0.00 H new ATOM 901 N SER A 143 -0.816 -7.637 -1.969 1.00 0.00 N ATOM 902 CA SER A 143 -0.830 -8.431 -0.763 1.00 0.00 C ATOM 903 C SER A 143 0.512 -8.306 -0.039 1.00 0.00 C ATOM 904 O SER A 143 1.570 -8.271 -0.692 1.00 0.00 O ATOM 905 CB SER A 143 -1.215 -9.887 -1.078 1.00 0.00 C ATOM 906 OG SER A 143 -0.409 -10.434 -2.127 1.00 0.00 O ATOM 0 H SER A 143 -0.838 -8.178 -2.833 1.00 0.00 H new ATOM 0 HA SER A 143 -1.594 -8.053 -0.083 1.00 0.00 H new ATOM 0 HB2 SER A 143 -1.105 -10.495 -0.180 1.00 0.00 H new ATOM 0 HB3 SER A 143 -2.265 -9.931 -1.366 1.00 0.00 H new ATOM 0 HG SER A 143 -0.680 -11.360 -2.299 1.00 0.00 H new ATOM 912 N PRO A 144 0.492 -8.227 1.300 1.00 0.00 N ATOM 913 CA PRO A 144 1.675 -7.929 2.101 1.00 0.00 C ATOM 914 C PRO A 144 2.803 -8.914 1.960 1.00 0.00 C ATOM 915 O PRO A 144 2.599 -10.123 1.814 1.00 0.00 O ATOM 916 CB PRO A 144 1.181 -7.945 3.531 1.00 0.00 C ATOM 917 CG PRO A 144 -0.064 -8.756 3.485 1.00 0.00 C ATOM 918 CD PRO A 144 -0.684 -8.460 2.155 1.00 0.00 C ATOM 0 HA PRO A 144 2.098 -6.980 1.771 1.00 0.00 H new ATOM 0 HB2 PRO A 144 1.918 -8.387 4.201 1.00 0.00 H new ATOM 0 HB3 PRO A 144 0.985 -6.936 3.895 1.00 0.00 H new ATOM 0 HG2 PRO A 144 0.156 -9.819 3.588 1.00 0.00 H new ATOM 0 HG3 PRO A 144 -0.737 -8.489 4.300 1.00 0.00 H new ATOM 0 HD2 PRO A 144 -1.289 -9.292 1.795 1.00 0.00 H new ATOM 0 HD3 PRO A 144 -1.335 -7.587 2.196 1.00 0.00 H new ATOM 926 N ILE A 145 3.976 -8.378 1.982 1.00 0.00 N ATOM 927 CA ILE A 145 5.167 -9.154 2.004 1.00 0.00 C ATOM 928 C ILE A 145 5.490 -9.334 3.467 1.00 0.00 C ATOM 929 O ILE A 145 5.353 -8.387 4.264 1.00 0.00 O ATOM 930 CB ILE A 145 6.347 -8.436 1.307 1.00 0.00 C ATOM 931 CG1 ILE A 145 5.942 -7.955 -0.088 1.00 0.00 C ATOM 932 CG2 ILE A 145 7.540 -9.374 1.214 1.00 0.00 C ATOM 933 CD1 ILE A 145 7.031 -7.215 -0.842 1.00 0.00 C ATOM 0 H ILE A 145 4.136 -7.371 1.985 1.00 0.00 H new ATOM 0 HA ILE A 145 5.020 -10.094 1.472 1.00 0.00 H new ATOM 0 HB ILE A 145 6.623 -7.565 1.901 1.00 0.00 H new ATOM 0 HG12 ILE A 145 5.630 -8.816 -0.679 1.00 0.00 H new ATOM 0 HG13 ILE A 145 5.074 -7.302 0.005 1.00 0.00 H new ATOM 0 HG21 ILE A 145 8.367 -8.863 0.722 1.00 0.00 H new ATOM 0 HG22 ILE A 145 7.844 -9.676 2.216 1.00 0.00 H new ATOM 0 HG23 ILE A 145 7.265 -10.257 0.637 1.00 0.00 H new ATOM 0 HD11 ILE A 145 6.655 -6.912 -1.819 1.00 0.00 H new ATOM 0 HD12 ILE A 145 7.328 -6.331 -0.277 1.00 0.00 H new ATOM 0 HD13 ILE A 145 7.893 -7.870 -0.972 1.00 0.00 H new ATOM 945 N CYS A 146 5.884 -10.492 3.827 1.00 0.00 N ATOM 946 CA CYS A 146 6.100 -10.810 5.214 1.00 0.00 C ATOM 947 C CYS A 146 7.393 -11.589 5.345 1.00 0.00 C ATOM 948 O CYS A 146 7.616 -12.314 6.312 1.00 0.00 O ATOM 949 CB CYS A 146 4.900 -11.633 5.700 1.00 0.00 C ATOM 950 SG CYS A 146 4.836 -11.930 7.480 1.00 0.00 S ATOM 0 H CYS A 146 6.071 -11.259 3.182 1.00 0.00 H new ATOM 0 HA CYS A 146 6.186 -9.910 5.822 1.00 0.00 H new ATOM 0 HB2 CYS A 146 3.985 -11.122 5.401 1.00 0.00 H new ATOM 0 HB3 CYS A 146 4.909 -12.595 5.188 1.00 0.00 H new ATOM 0 HG CYS A 146 6.010 -12.298 7.901 1.00 0.00 H new ATOM 956 N GLU A 147 8.243 -11.422 4.376 1.00 0.00 N ATOM 957 CA GLU A 147 9.491 -12.128 4.324 1.00 0.00 C ATOM 958 C GLU A 147 10.571 -11.262 4.913 1.00 0.00 C ATOM 959 O GLU A 147 10.978 -11.512 6.056 1.00 0.00 O ATOM 960 CB GLU A 147 9.841 -12.556 2.882 1.00 0.00 C ATOM 961 CG GLU A 147 8.943 -13.652 2.279 1.00 0.00 C ATOM 962 CD GLU A 147 7.492 -13.250 2.153 1.00 0.00 C ATOM 963 OE1 GLU A 147 7.171 -12.427 1.293 1.00 0.00 O ATOM 964 OE2 GLU A 147 6.647 -13.749 2.929 1.00 0.00 O ATOM 965 OXT GLU A 147 10.967 -10.269 4.264 1.00 0.00 O ATOM 0 H GLU A 147 8.090 -10.787 3.592 1.00 0.00 H new ATOM 0 HA GLU A 147 9.405 -13.043 4.910 1.00 0.00 H new ATOM 0 HB2 GLU A 147 9.793 -11.677 2.239 1.00 0.00 H new ATOM 0 HB3 GLU A 147 10.873 -12.907 2.866 1.00 0.00 H new ATOM 0 HG2 GLU A 147 9.323 -13.919 1.293 1.00 0.00 H new ATOM 0 HG3 GLU A 147 9.010 -14.546 2.899 1.00 0.00 H new TER 972 GLU A 147 HETATM 973 N 2MR A1148 16.244 2.728 -3.671 1.00 0.00 N HETATM 974 CA 2MR A1148 16.238 3.077 -2.254 1.00 0.00 C HETATM 975 CB 2MR A1148 15.880 1.852 -1.402 1.00 0.00 C HETATM 976 CG 2MR A1148 15.824 2.081 0.109 1.00 0.00 C HETATM 977 CD 2MR A1148 14.516 2.740 0.507 1.00 0.00 C HETATM 978 NE 2MR A1148 13.380 1.901 0.106 1.00 0.00 N HETATM 979 CZ 2MR A1148 12.114 2.111 0.421 1.00 0.00 C HETATM 980 NH1 2MR A1148 11.807 3.203 1.189 1.00 0.00 N HETATM 981 CQ1 2MR A1148 10.529 3.702 1.699 1.00 0.00 C HETATM 982 NH2 2MR A1148 11.214 1.243 -0.077 1.00 0.00 N HETATM 983 CQ2 2MR A1148 9.777 1.176 0.062 1.00 0.00 C HETATM 984 C 2MR A1148 17.596 3.591 -1.900 1.00 0.00 C HETATM 985 O 2MR A1148 17.718 4.746 -1.463 1.00 0.00 O HETATM 986 OXT 2MR A1148 18.556 2.850 -2.089 1.00 0.00 O HETATM 0 HQ23 2MR A1148 9.518 1.067 1.115 1.00 0.00 H new HETATM 0 HQ22 2MR A1148 9.331 2.090 -0.329 1.00 0.00 H new HETATM 0 HQ21 2MR A1148 9.397 0.320 -0.495 1.00 0.00 H new HETATM 0 HQ13 2MR A1148 9.865 3.923 0.863 1.00 0.00 H new HETATM 0 HQ12 2MR A1148 10.071 2.945 2.336 1.00 0.00 H new HETATM 0 HQ11 2MR A1148 10.698 4.610 2.278 1.00 0.00 H new HETATM 0 HH2 2MR A1148 11.616 0.503 -0.653 1.00 0.00 H new HETATM 0 HG3 2MR A1148 15.930 1.129 0.630 1.00 0.00 H new HETATM 0 HG2 2MR A1148 16.661 2.708 0.417 1.00 0.00 H new HETATM 0 HE 2MR A1148 13.586 1.083 -0.467 1.00 0.00 H new HETATM 0 HD3 2MR A1148 14.495 2.901 1.585 1.00 0.00 H new HETATM 0 HD2 2MR A1148 14.437 3.720 0.037 1.00 0.00 H new HETATM 0 HB3 2MR A1148 14.910 1.477 -1.729 1.00 0.00 H new HETATM 0 HB2 2MR A1148 16.609 1.068 -1.604 1.00 0.00 H new HETATM 0 HA 2MR A1148 15.488 3.843 -2.056 1.00 0.00 H new HETATM 0 H2 2MR A1148 16.465 3.437 -4.370 1.00 0.00 H new HETATM 0 H 2MR A1148 16.027 1.775 -3.962 1.00 0.00 H new