USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=19 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 90 GLN : amide:sc= -0.41 K(o=0.4,f=1.8) USER MOD Set 1.2: A 139 SER OG : rot -153:sc= 0.811 USER MOD Set 2.1: A 127 TYR OH : rot -156:sc= 0.95 USER MOD Set 2.2: A 136 GLN : amide:sc= 0.376 K(o=1.3,f=-2.4!) USER MOD Set 3.1: A 112 THR OG1 : rot 74:sc= 0.0935 USER MOD Set 3.2: A 128 THR OG1 : rot 180:sc= 0.0887 USER MOD Single : A 84 ASN : amide:sc= -0.184 K(o=-0.18,f=1) 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 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 LYS NZ :NH3+ -175:sc= 1.01 (180deg=0.952) USER MOD Single : A 97 LYS NZ :NH3+ -171:sc= 1.25 (180deg=1.04) USER MOD Single : A 98 CYS SG : rot -13:sc= 0.915 USER MOD Single : A 99 SER OG : rot 118:sc= 0.582 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 CYS SG : rot 122:sc= 1.08 USER MOD Single : A 109 TYR OH : rot -20:sc= 0.0449 USER MOD Single : A 115 SER OG : rot -17:sc= 0.821 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 180:sc= -0.559 USER MOD Single : A 123 CYS SG : rot -14:sc= -4.23! USER MOD Single : A 130 TYR OH : rot -127:sc= 0.0955 USER MOD Single : A 132 ASN : amide:sc= -2.25! X(o=-2.3!,f=-1.9) USER MOD Single : A 137 ASN : amide:sc= -0.0369 X(o=-0.037,f=-0.22) USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 146 CYS SG : rot 44:sc= 1.37 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 84 -15.330 -4.249 -7.191 1.00 0.00 N ATOM 2 CA ASN A 84 -15.068 -5.313 -8.166 1.00 0.00 C ATOM 3 C ASN A 84 -15.825 -6.551 -7.778 1.00 0.00 C ATOM 4 O ASN A 84 -16.525 -6.566 -6.764 1.00 0.00 O ATOM 5 CB ASN A 84 -13.574 -5.641 -8.267 1.00 0.00 C ATOM 6 CG ASN A 84 -12.731 -4.489 -8.759 1.00 0.00 C ATOM 7 OD1 ASN A 84 -13.037 -3.330 -8.505 1.00 0.00 O ATOM 8 ND2 ASN A 84 -11.677 -4.795 -9.468 1.00 0.00 N ATOM 0 HA ASN A 84 -15.400 -4.957 -9.141 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -13.212 -5.952 -7.287 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -13.442 -6.489 -8.939 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -11.075 -4.056 -9.832 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -11.456 -5.773 -9.658 1.00 0.00 H new ATOM 17 N THR A 85 -15.704 -7.590 -8.560 1.00 0.00 N ATOM 18 CA THR A 85 -16.372 -8.820 -8.262 1.00 0.00 C ATOM 19 C THR A 85 -15.394 -9.769 -7.559 1.00 0.00 C ATOM 20 O THR A 85 -14.312 -10.043 -8.087 1.00 0.00 O ATOM 21 CB THR A 85 -16.896 -9.471 -9.560 1.00 0.00 C ATOM 22 OG1 THR A 85 -17.581 -8.469 -10.351 1.00 0.00 O ATOM 23 CG2 THR A 85 -17.869 -10.601 -9.240 1.00 0.00 C ATOM 0 H THR A 85 -15.144 -7.605 -9.413 1.00 0.00 H new ATOM 0 HA THR A 85 -17.220 -8.619 -7.607 1.00 0.00 H new ATOM 0 HB THR A 85 -16.050 -9.879 -10.113 1.00 0.00 H new ATOM 0 HG1 THR A 85 -17.914 -8.876 -11.178 1.00 0.00 H new ATOM 0 HG21 THR A 85 -18.227 -11.047 -10.168 1.00 0.00 H new ATOM 0 HG22 THR A 85 -17.362 -11.360 -8.645 1.00 0.00 H new ATOM 0 HG23 THR A 85 -18.715 -10.205 -8.678 1.00 0.00 H new ATOM 31 N ALA A 86 -15.748 -10.176 -6.334 1.00 0.00 N ATOM 32 CA ALA A 86 -15.002 -11.146 -5.490 1.00 0.00 C ATOM 33 C ALA A 86 -13.727 -10.575 -4.862 1.00 0.00 C ATOM 34 O ALA A 86 -13.390 -10.915 -3.718 1.00 0.00 O ATOM 35 CB ALA A 86 -14.714 -12.455 -6.229 1.00 0.00 C ATOM 0 H ALA A 86 -16.592 -9.832 -5.877 1.00 0.00 H new ATOM 0 HA ALA A 86 -15.674 -11.366 -4.660 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -14.167 -13.131 -5.572 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -15.654 -12.919 -6.527 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -14.115 -12.248 -7.116 1.00 0.00 H new ATOM 41 N ALA A 87 -13.043 -9.713 -5.598 1.00 0.00 N ATOM 42 CA ALA A 87 -11.779 -9.110 -5.180 1.00 0.00 C ATOM 43 C ALA A 87 -11.880 -8.438 -3.817 1.00 0.00 C ATOM 44 O ALA A 87 -12.526 -7.397 -3.664 1.00 0.00 O ATOM 45 CB ALA A 87 -11.296 -8.116 -6.225 1.00 0.00 C ATOM 0 H ALA A 87 -13.353 -9.405 -6.520 1.00 0.00 H new ATOM 0 HA ALA A 87 -11.053 -9.917 -5.088 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -10.354 -7.675 -5.900 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -11.147 -8.630 -7.175 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -12.040 -7.330 -6.351 1.00 0.00 H new ATOM 51 N SER A 88 -11.240 -9.028 -2.833 1.00 0.00 N ATOM 52 CA SER A 88 -11.257 -8.502 -1.489 1.00 0.00 C ATOM 53 C SER A 88 -10.075 -7.572 -1.277 1.00 0.00 C ATOM 54 O SER A 88 -9.921 -6.942 -0.244 1.00 0.00 O ATOM 55 CB SER A 88 -11.284 -9.645 -0.490 1.00 0.00 C ATOM 56 OG SER A 88 -12.379 -10.511 -0.794 1.00 0.00 O ATOM 0 H SER A 88 -10.695 -9.883 -2.942 1.00 0.00 H new ATOM 0 HA SER A 88 -12.160 -7.912 -1.333 1.00 0.00 H new ATOM 0 HB2 SER A 88 -10.346 -10.199 -0.528 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.384 -9.256 0.523 1.00 0.00 H new ATOM 0 HG SER A 88 -12.399 -11.251 -0.152 1.00 0.00 H new ATOM 62 N LEU A 89 -9.316 -7.430 -2.322 1.00 0.00 N ATOM 63 CA LEU A 89 -8.138 -6.577 -2.359 1.00 0.00 C ATOM 64 C LEU A 89 -8.590 -5.138 -2.681 1.00 0.00 C ATOM 65 O LEU A 89 -7.819 -4.232 -2.850 1.00 0.00 O ATOM 66 CB LEU A 89 -7.155 -7.169 -3.399 1.00 0.00 C ATOM 67 CG LEU A 89 -5.669 -6.796 -3.303 1.00 0.00 C ATOM 68 CD1 LEU A 89 -4.842 -7.840 -4.009 1.00 0.00 C ATOM 69 CD2 LEU A 89 -5.392 -5.462 -3.931 1.00 0.00 C ATOM 0 H LEU A 89 -9.493 -7.912 -3.203 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.615 -6.537 -1.404 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -7.228 -8.255 -3.342 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.506 -6.878 -4.389 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.408 -6.744 -2.246 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.787 -7.575 -3.941 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.004 -8.811 -3.540 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.137 -7.890 -5.057 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.330 -5.232 -3.844 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.672 -5.491 -4.984 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.973 -4.693 -3.422 1.00 0.00 H new ATOM 81 N GLN A 90 -9.875 -4.962 -2.720 1.00 0.00 N ATOM 82 CA GLN A 90 -10.467 -3.663 -2.938 1.00 0.00 C ATOM 83 C GLN A 90 -10.901 -3.063 -1.612 1.00 0.00 C ATOM 84 O GLN A 90 -11.332 -1.916 -1.549 1.00 0.00 O ATOM 85 CB GLN A 90 -11.660 -3.768 -3.889 1.00 0.00 C ATOM 86 CG GLN A 90 -11.282 -4.181 -5.305 1.00 0.00 C ATOM 87 CD GLN A 90 -10.397 -3.159 -5.997 1.00 0.00 C ATOM 88 OE1 GLN A 90 -9.559 -3.505 -6.832 1.00 0.00 O ATOM 89 NE2 GLN A 90 -10.601 -1.900 -5.700 1.00 0.00 N ATOM 0 H GLN A 90 -10.553 -5.715 -2.602 1.00 0.00 H new ATOM 0 HA GLN A 90 -9.722 -3.012 -3.395 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -12.371 -4.490 -3.487 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -12.170 -2.805 -3.925 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -10.766 -5.141 -5.274 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -12.189 -4.326 -5.891 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -11.303 -1.647 -5.004 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -10.058 -1.172 -6.165 1.00 0.00 H new ATOM 98 N GLN A 91 -10.775 -3.844 -0.555 1.00 0.00 N ATOM 99 CA GLN A 91 -11.179 -3.416 0.760 1.00 0.00 C ATOM 100 C GLN A 91 -10.072 -3.646 1.774 1.00 0.00 C ATOM 101 O GLN A 91 -9.745 -4.785 2.141 1.00 0.00 O ATOM 102 CB GLN A 91 -12.498 -4.091 1.187 1.00 0.00 C ATOM 103 CG GLN A 91 -12.521 -5.601 1.006 1.00 0.00 C ATOM 104 CD GLN A 91 -13.801 -6.230 1.485 1.00 0.00 C ATOM 105 OE1 GLN A 91 -14.770 -6.350 0.729 1.00 0.00 O ATOM 106 NE2 GLN A 91 -13.813 -6.671 2.707 1.00 0.00 N ATOM 0 H GLN A 91 -10.391 -4.788 -0.589 1.00 0.00 H new ATOM 0 HA GLN A 91 -11.365 -2.343 0.721 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -12.687 -3.861 2.236 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -13.316 -3.656 0.613 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -12.379 -5.837 -0.048 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -11.682 -6.039 1.547 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -12.992 -6.552 3.300 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -14.644 -7.136 3.073 1.00 0.00 H new ATOM 115 N TRP A 92 -9.496 -2.569 2.205 1.00 0.00 N ATOM 116 CA TRP A 92 -8.422 -2.581 3.161 1.00 0.00 C ATOM 117 C TRP A 92 -8.845 -1.809 4.387 1.00 0.00 C ATOM 118 O TRP A 92 -9.859 -1.090 4.352 1.00 0.00 O ATOM 119 CB TRP A 92 -7.179 -1.950 2.569 1.00 0.00 C ATOM 120 CG TRP A 92 -6.644 -2.647 1.365 1.00 0.00 C ATOM 121 CD1 TRP A 92 -6.981 -2.411 0.069 1.00 0.00 C ATOM 122 CD2 TRP A 92 -5.659 -3.683 1.340 1.00 0.00 C ATOM 123 NE1 TRP A 92 -6.272 -3.229 -0.754 1.00 0.00 N ATOM 124 CE2 TRP A 92 -5.453 -4.024 -0.004 1.00 0.00 C ATOM 125 CE3 TRP A 92 -4.933 -4.355 2.324 1.00 0.00 C ATOM 126 CZ2 TRP A 92 -4.550 -5.001 -0.393 1.00 0.00 C ATOM 127 CZ3 TRP A 92 -4.038 -5.326 1.933 1.00 0.00 C ATOM 128 CH2 TRP A 92 -3.854 -5.639 0.585 1.00 0.00 C ATOM 0 H TRP A 92 -9.761 -1.633 1.898 1.00 0.00 H new ATOM 0 HA TRP A 92 -8.195 -3.613 3.429 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -7.402 -0.916 2.305 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -6.402 -1.923 3.333 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -7.706 -1.681 -0.259 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -6.341 -3.246 -1.772 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -5.070 -4.119 3.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.405 -5.246 -1.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -3.468 -5.855 2.683 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -3.143 -6.405 0.313 1.00 0.00 H new ATOM 139 N LYS A 93 -8.136 -1.971 5.468 1.00 0.00 N ATOM 140 CA LYS A 93 -8.448 -1.250 6.670 1.00 0.00 C ATOM 141 C LYS A 93 -7.197 -0.576 7.188 1.00 0.00 C ATOM 142 O LYS A 93 -6.086 -1.009 6.886 1.00 0.00 O ATOM 143 CB LYS A 93 -9.032 -2.184 7.723 1.00 0.00 C ATOM 144 CG LYS A 93 -8.037 -3.162 8.309 1.00 0.00 C ATOM 145 CD LYS A 93 -8.727 -4.226 9.153 1.00 0.00 C ATOM 146 CE LYS A 93 -9.551 -5.204 8.307 1.00 0.00 C ATOM 147 NZ LYS A 93 -8.703 -6.073 7.452 1.00 0.00 N ATOM 0 H LYS A 93 -7.335 -2.598 5.542 1.00 0.00 H new ATOM 0 HA LYS A 93 -9.198 -0.491 6.447 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -9.453 -1.584 8.530 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -9.855 -2.744 7.279 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -7.479 -3.641 7.504 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -7.314 -2.623 8.921 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -7.977 -4.781 9.716 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -9.379 -3.742 9.881 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -10.156 -5.827 8.965 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -10.241 -4.642 7.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -9.309 -6.655 6.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -8.082 -5.481 6.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -8.123 -6.692 8.054 1.00 0.00 H new ATOM 161 N VAL A 94 -7.371 0.494 7.901 1.00 0.00 N ATOM 162 CA VAL A 94 -6.263 1.198 8.502 1.00 0.00 C ATOM 163 C VAL A 94 -5.597 0.290 9.533 1.00 0.00 C ATOM 164 O VAL A 94 -6.269 -0.250 10.426 1.00 0.00 O ATOM 165 CB VAL A 94 -6.729 2.523 9.173 1.00 0.00 C ATOM 166 CG1 VAL A 94 -5.578 3.213 9.874 1.00 0.00 C ATOM 167 CG2 VAL A 94 -7.342 3.455 8.139 1.00 0.00 C ATOM 0 H VAL A 94 -8.283 0.910 8.087 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.549 1.460 7.721 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.484 2.273 9.918 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -5.932 4.136 10.334 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.174 2.556 10.644 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.797 3.445 9.150 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -7.663 4.377 8.625 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -6.601 3.687 7.374 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -8.202 2.970 7.677 1.00 0.00 H new ATOM 177 N GLY A 95 -4.305 0.127 9.414 1.00 0.00 N ATOM 178 CA GLY A 95 -3.590 -0.738 10.306 1.00 0.00 C ATOM 179 C GLY A 95 -3.384 -2.116 9.708 1.00 0.00 C ATOM 180 O GLY A 95 -2.942 -3.039 10.396 1.00 0.00 O ATOM 0 H GLY A 95 -3.729 0.584 8.707 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -2.622 -0.296 10.543 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -4.138 -0.827 11.244 1.00 0.00 H new ATOM 184 N ASP A 96 -3.710 -2.269 8.442 1.00 0.00 N ATOM 185 CA ASP A 96 -3.547 -3.550 7.754 1.00 0.00 C ATOM 186 C ASP A 96 -2.287 -3.479 6.955 1.00 0.00 C ATOM 187 O ASP A 96 -1.910 -2.397 6.481 1.00 0.00 O ATOM 188 CB ASP A 96 -4.657 -3.770 6.746 1.00 0.00 C ATOM 189 CG ASP A 96 -5.249 -5.157 6.728 1.00 0.00 C ATOM 190 OD1 ASP A 96 -4.580 -6.138 7.137 1.00 0.00 O ATOM 191 OD2 ASP A 96 -6.427 -5.290 6.329 1.00 0.00 O ATOM 0 H ASP A 96 -4.092 -1.524 7.859 1.00 0.00 H new ATOM 0 HA ASP A 96 -3.547 -4.345 8.500 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -5.455 -3.055 6.948 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -4.272 -3.545 5.752 1.00 0.00 H new ATOM 196 N LYS A 97 -1.618 -4.571 6.824 1.00 0.00 N ATOM 197 CA LYS A 97 -0.482 -4.639 5.983 1.00 0.00 C ATOM 198 C LYS A 97 -0.870 -4.885 4.560 1.00 0.00 C ATOM 199 O LYS A 97 -1.913 -5.484 4.273 1.00 0.00 O ATOM 200 CB LYS A 97 0.393 -5.727 6.435 1.00 0.00 C ATOM 201 CG LYS A 97 0.982 -5.461 7.753 1.00 0.00 C ATOM 202 CD LYS A 97 1.727 -6.647 8.187 1.00 0.00 C ATOM 203 CE LYS A 97 2.623 -6.319 9.348 1.00 0.00 C ATOM 204 NZ LYS A 97 3.526 -7.434 9.691 1.00 0.00 N ATOM 0 H LYS A 97 -1.847 -5.444 7.300 1.00 0.00 H new ATOM 0 HA LYS A 97 0.038 -3.682 6.038 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.177 -6.655 6.476 1.00 0.00 H new ATOM 0 HB3 LYS A 97 1.191 -5.874 5.707 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.645 -4.597 7.703 1.00 0.00 H new ATOM 0 HG3 LYS A 97 0.200 -5.222 8.474 1.00 0.00 H new ATOM 0 HD2 LYS A 97 1.030 -7.436 8.471 1.00 0.00 H new ATOM 0 HD3 LYS A 97 2.323 -7.031 7.359 1.00 0.00 H new ATOM 0 HE2 LYS A 97 3.215 -5.435 9.109 1.00 0.00 H new ATOM 0 HE3 LYS A 97 2.013 -6.069 10.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 4.014 -7.223 10.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 2.973 -8.309 9.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 4.228 -7.557 8.934 1.00 0.00 H new ATOM 218 N CYS A 98 -0.011 -4.469 3.692 1.00 0.00 N ATOM 219 CA CYS A 98 -0.183 -4.602 2.291 1.00 0.00 C ATOM 220 C CYS A 98 1.185 -4.473 1.651 1.00 0.00 C ATOM 221 O CYS A 98 2.208 -4.403 2.340 1.00 0.00 O ATOM 222 CB CYS A 98 -1.114 -3.491 1.778 1.00 0.00 C ATOM 223 SG CYS A 98 -0.507 -1.838 2.128 1.00 0.00 S ATOM 0 H CYS A 98 0.862 -4.010 3.952 1.00 0.00 H new ATOM 0 HA CYS A 98 -0.630 -5.565 2.043 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -1.243 -3.603 0.701 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -2.098 -3.613 2.231 1.00 0.00 H new ATOM 0 HG CYS A 98 0.461 -1.905 2.993 1.00 0.00 H new ATOM 229 N SER A 99 1.196 -4.460 0.393 1.00 0.00 N ATOM 230 CA SER A 99 2.371 -4.238 -0.373 1.00 0.00 C ATOM 231 C SER A 99 2.089 -3.085 -1.298 1.00 0.00 C ATOM 232 O SER A 99 0.962 -2.947 -1.792 1.00 0.00 O ATOM 233 CB SER A 99 2.741 -5.497 -1.145 1.00 0.00 C ATOM 234 OG SER A 99 3.080 -6.554 -0.268 1.00 0.00 O ATOM 0 H SER A 99 0.361 -4.608 -0.173 1.00 0.00 H new ATOM 0 HA SER A 99 3.220 -3.999 0.268 1.00 0.00 H new ATOM 0 HB2 SER A 99 1.905 -5.799 -1.776 1.00 0.00 H new ATOM 0 HB3 SER A 99 3.581 -5.287 -1.807 1.00 0.00 H new ATOM 0 HG SER A 99 2.449 -7.294 -0.388 1.00 0.00 H new ATOM 240 N ALA A 100 3.047 -2.241 -1.488 1.00 0.00 N ATOM 241 CA ALA A 100 2.855 -1.090 -2.315 1.00 0.00 C ATOM 242 C ALA A 100 4.013 -0.931 -3.257 1.00 0.00 C ATOM 243 O ALA A 100 5.094 -1.497 -3.028 1.00 0.00 O ATOM 244 CB ALA A 100 2.688 0.153 -1.458 1.00 0.00 C ATOM 0 H ALA A 100 3.978 -2.325 -1.080 1.00 0.00 H new ATOM 0 HA ALA A 100 1.947 -1.226 -2.903 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.543 1.021 -2.101 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.821 0.033 -0.808 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.580 0.298 -0.849 1.00 0.00 H new ATOM 250 N ILE A 101 3.790 -0.196 -4.309 1.00 0.00 N ATOM 251 CA ILE A 101 4.805 0.078 -5.279 1.00 0.00 C ATOM 252 C ILE A 101 5.462 1.373 -4.934 1.00 0.00 C ATOM 253 O ILE A 101 4.837 2.439 -5.010 1.00 0.00 O ATOM 254 CB ILE A 101 4.229 0.142 -6.715 1.00 0.00 C ATOM 255 CG1 ILE A 101 3.821 -1.249 -7.185 1.00 0.00 C ATOM 256 CG2 ILE A 101 5.219 0.781 -7.703 1.00 0.00 C ATOM 257 CD1 ILE A 101 4.977 -2.158 -7.532 1.00 0.00 C ATOM 0 H ILE A 101 2.888 0.233 -4.517 1.00 0.00 H new ATOM 0 HA ILE A 101 5.531 -0.734 -5.259 1.00 0.00 H new ATOM 0 HB ILE A 101 3.345 0.779 -6.687 1.00 0.00 H new ATOM 0 HG12 ILE A 101 3.225 -1.722 -6.404 1.00 0.00 H new ATOM 0 HG13 ILE A 101 3.179 -1.149 -8.060 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.775 0.806 -8.698 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.448 1.797 -7.382 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.137 0.193 -7.730 1.00 0.00 H new ATOM 0 HD11 ILE A 101 4.594 -3.126 -7.856 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.562 -1.712 -8.336 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.609 -2.293 -6.655 1.00 0.00 H new ATOM 269 N TRP A 102 6.694 1.286 -4.536 1.00 0.00 N ATOM 270 CA TRP A 102 7.435 2.444 -4.170 1.00 0.00 C ATOM 271 C TRP A 102 7.679 3.238 -5.389 1.00 0.00 C ATOM 272 O TRP A 102 8.299 2.760 -6.314 1.00 0.00 O ATOM 273 CB TRP A 102 8.756 2.080 -3.539 1.00 0.00 C ATOM 274 CG TRP A 102 9.383 3.216 -2.808 1.00 0.00 C ATOM 275 CD1 TRP A 102 8.733 4.218 -2.153 1.00 0.00 C ATOM 276 CD2 TRP A 102 10.770 3.460 -2.630 1.00 0.00 C ATOM 277 NE1 TRP A 102 9.632 5.058 -1.581 1.00 0.00 N ATOM 278 CE2 TRP A 102 10.890 4.612 -1.853 1.00 0.00 C ATOM 279 CE3 TRP A 102 11.924 2.819 -3.047 1.00 0.00 C ATOM 280 CZ2 TRP A 102 12.114 5.126 -1.488 1.00 0.00 C ATOM 281 CZ3 TRP A 102 13.135 3.342 -2.688 1.00 0.00 C ATOM 282 CH2 TRP A 102 13.211 4.489 -1.912 1.00 0.00 C ATOM 0 H TRP A 102 7.210 0.410 -4.457 1.00 0.00 H new ATOM 0 HA TRP A 102 6.862 3.013 -3.438 1.00 0.00 H new ATOM 0 HB2 TRP A 102 8.607 1.249 -2.849 1.00 0.00 H new ATOM 0 HB3 TRP A 102 9.439 1.732 -4.314 1.00 0.00 H new ATOM 0 HD1 TRP A 102 7.660 4.328 -2.097 1.00 0.00 H new ATOM 0 HE1 TRP A 102 9.403 5.889 -1.036 1.00 0.00 H new ATOM 0 HE3 TRP A 102 11.869 1.922 -3.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 12.186 6.015 -0.879 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 14.043 2.856 -3.013 1.00 0.00 H new ATOM 0 HH2 TRP A 102 14.182 4.878 -1.643 1.00 0.00 H new ATOM 293 N SER A 103 7.238 4.439 -5.369 1.00 0.00 N ATOM 294 CA SER A 103 7.327 5.322 -6.479 1.00 0.00 C ATOM 295 C SER A 103 8.759 5.643 -6.862 1.00 0.00 C ATOM 296 O SER A 103 9.041 6.060 -7.983 1.00 0.00 O ATOM 297 CB SER A 103 6.608 6.565 -6.115 1.00 0.00 C ATOM 298 OG SER A 103 5.218 6.326 -5.945 1.00 0.00 O ATOM 0 H SER A 103 6.788 4.853 -4.553 1.00 0.00 H new ATOM 0 HA SER A 103 6.882 4.839 -7.349 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.025 6.972 -5.194 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.758 7.315 -6.891 1.00 0.00 H new ATOM 0 HG SER A 103 4.769 7.163 -5.704 1.00 0.00 H new ATOM 304 N GLU A 104 9.649 5.429 -5.947 1.00 0.00 N ATOM 305 CA GLU A 104 11.015 5.764 -6.171 1.00 0.00 C ATOM 306 C GLU A 104 11.760 4.667 -6.902 1.00 0.00 C ATOM 307 O GLU A 104 12.509 4.945 -7.835 1.00 0.00 O ATOM 308 CB GLU A 104 11.694 6.112 -4.872 1.00 0.00 C ATOM 309 CG GLU A 104 10.990 7.235 -4.139 1.00 0.00 C ATOM 310 CD GLU A 104 11.830 7.931 -3.087 1.00 0.00 C ATOM 311 OE1 GLU A 104 13.020 8.191 -3.325 1.00 0.00 O ATOM 312 OE2 GLU A 104 11.296 8.264 -2.009 1.00 0.00 O ATOM 0 H GLU A 104 9.451 5.021 -5.033 1.00 0.00 H new ATOM 0 HA GLU A 104 11.035 6.641 -6.817 1.00 0.00 H new ATOM 0 HB2 GLU A 104 11.727 5.229 -4.234 1.00 0.00 H new ATOM 0 HB3 GLU A 104 12.726 6.401 -5.070 1.00 0.00 H new ATOM 0 HG2 GLU A 104 10.659 7.975 -4.868 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.095 6.835 -3.663 1.00 0.00 H new ATOM 319 N ASP A 105 11.527 3.416 -6.531 1.00 0.00 N ATOM 320 CA ASP A 105 12.270 2.326 -7.173 1.00 0.00 C ATOM 321 C ASP A 105 11.371 1.552 -8.128 1.00 0.00 C ATOM 322 O ASP A 105 11.836 0.801 -8.982 1.00 0.00 O ATOM 323 CB ASP A 105 12.852 1.385 -6.113 1.00 0.00 C ATOM 324 CG ASP A 105 13.858 0.409 -6.680 1.00 0.00 C ATOM 325 OD1 ASP A 105 14.963 0.840 -7.058 1.00 0.00 O ATOM 326 OD2 ASP A 105 13.587 -0.795 -6.720 1.00 0.00 O ATOM 0 H ASP A 105 10.857 3.130 -5.817 1.00 0.00 H new ATOM 0 HA ASP A 105 13.089 2.759 -7.747 1.00 0.00 H new ATOM 0 HB2 ASP A 105 13.328 1.977 -5.331 1.00 0.00 H new ATOM 0 HB3 ASP A 105 12.040 0.830 -5.642 1.00 0.00 H new ATOM 331 N GLY A 106 10.076 1.757 -7.985 1.00 0.00 N ATOM 332 CA GLY A 106 9.082 1.135 -8.859 1.00 0.00 C ATOM 333 C GLY A 106 8.735 -0.273 -8.428 1.00 0.00 C ATOM 334 O GLY A 106 7.851 -0.911 -8.991 1.00 0.00 O ATOM 0 H GLY A 106 9.677 2.357 -7.263 1.00 0.00 H new ATOM 0 HA2 GLY A 106 8.177 1.743 -8.866 1.00 0.00 H new ATOM 0 HA3 GLY A 106 9.462 1.116 -9.881 1.00 0.00 H new ATOM 338 N CYS A 107 9.433 -0.739 -7.441 1.00 0.00 N ATOM 339 CA CYS A 107 9.321 -2.060 -6.956 1.00 0.00 C ATOM 340 C CYS A 107 8.295 -2.204 -5.845 1.00 0.00 C ATOM 341 O CYS A 107 7.834 -1.205 -5.268 1.00 0.00 O ATOM 342 CB CYS A 107 10.677 -2.490 -6.511 1.00 0.00 C ATOM 343 SG CYS A 107 11.826 -2.804 -7.848 1.00 0.00 S ATOM 0 H CYS A 107 10.121 -0.180 -6.937 1.00 0.00 H new ATOM 0 HA CYS A 107 8.955 -2.704 -7.756 1.00 0.00 H new ATOM 0 HB2 CYS A 107 11.095 -1.720 -5.862 1.00 0.00 H new ATOM 0 HB3 CYS A 107 10.580 -3.395 -5.911 1.00 0.00 H new ATOM 0 HG CYS A 107 12.865 -2.034 -7.717 1.00 0.00 H new ATOM 349 N ILE A 108 7.961 -3.443 -5.546 1.00 0.00 N ATOM 350 CA ILE A 108 7.016 -3.783 -4.507 1.00 0.00 C ATOM 351 C ILE A 108 7.727 -3.887 -3.175 1.00 0.00 C ATOM 352 O ILE A 108 8.785 -4.517 -3.072 1.00 0.00 O ATOM 353 CB ILE A 108 6.357 -5.141 -4.781 1.00 0.00 C ATOM 354 CG1 ILE A 108 5.862 -5.199 -6.218 1.00 0.00 C ATOM 355 CG2 ILE A 108 5.211 -5.344 -3.805 1.00 0.00 C ATOM 356 CD1 ILE A 108 5.193 -6.502 -6.609 1.00 0.00 C ATOM 0 H ILE A 108 8.347 -4.255 -6.028 1.00 0.00 H new ATOM 0 HA ILE A 108 6.259 -2.999 -4.488 1.00 0.00 H new ATOM 0 HB ILE A 108 7.085 -5.940 -4.643 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.157 -4.383 -6.378 1.00 0.00 H new ATOM 0 HG13 ILE A 108 6.706 -5.026 -6.885 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.738 -6.308 -3.994 1.00 0.00 H new ATOM 0 HG22 ILE A 108 5.594 -5.322 -2.785 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.477 -4.548 -3.935 1.00 0.00 H new ATOM 0 HD11 ILE A 108 4.874 -6.449 -7.650 1.00 0.00 H new ATOM 0 HD12 ILE A 108 5.898 -7.324 -6.487 1.00 0.00 H new ATOM 0 HD13 ILE A 108 4.325 -6.671 -5.972 1.00 0.00 H new ATOM 368 N TYR A 109 7.160 -3.280 -2.178 1.00 0.00 N ATOM 369 CA TYR A 109 7.711 -3.292 -0.846 1.00 0.00 C ATOM 370 C TYR A 109 6.605 -3.426 0.185 1.00 0.00 C ATOM 371 O TYR A 109 5.456 -3.029 -0.084 1.00 0.00 O ATOM 372 CB TYR A 109 8.495 -2.021 -0.590 1.00 0.00 C ATOM 373 CG TYR A 109 9.749 -1.876 -1.415 1.00 0.00 C ATOM 374 CD1 TYR A 109 9.726 -1.242 -2.644 1.00 0.00 C ATOM 375 CD2 TYR A 109 10.956 -2.346 -0.944 1.00 0.00 C ATOM 376 CE1 TYR A 109 10.878 -1.081 -3.378 1.00 0.00 C ATOM 377 CE2 TYR A 109 12.111 -2.186 -1.667 1.00 0.00 C ATOM 378 CZ TYR A 109 12.071 -1.551 -2.882 1.00 0.00 C ATOM 379 OH TYR A 109 13.232 -1.388 -3.608 1.00 0.00 O ATOM 0 H TYR A 109 6.290 -2.754 -2.261 1.00 0.00 H new ATOM 0 HA TYR A 109 8.380 -4.148 -0.760 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.848 -1.166 -0.785 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.765 -1.983 0.465 1.00 0.00 H new ATOM 0 HD1 TYR A 109 8.790 -0.868 -3.033 1.00 0.00 H new ATOM 0 HD2 TYR A 109 10.993 -2.849 0.011 1.00 0.00 H new ATOM 0 HE1 TYR A 109 10.846 -0.588 -4.338 1.00 0.00 H new ATOM 0 HE2 TYR A 109 13.048 -2.559 -1.281 1.00 0.00 H new ATOM 0 HH TYR A 109 13.010 -1.226 -4.549 1.00 0.00 H new ATOM 389 N PRO A 110 6.916 -4.008 1.367 1.00 0.00 N ATOM 390 CA PRO A 110 5.938 -4.163 2.440 1.00 0.00 C ATOM 391 C PRO A 110 5.591 -2.810 3.064 1.00 0.00 C ATOM 392 O PRO A 110 6.482 -2.036 3.462 1.00 0.00 O ATOM 393 CB PRO A 110 6.653 -5.056 3.465 1.00 0.00 C ATOM 394 CG PRO A 110 8.105 -4.833 3.221 1.00 0.00 C ATOM 395 CD PRO A 110 8.250 -4.535 1.753 1.00 0.00 C ATOM 0 HA PRO A 110 4.997 -4.587 2.088 1.00 0.00 H new ATOM 0 HB2 PRO A 110 6.378 -4.786 4.484 1.00 0.00 H new ATOM 0 HB3 PRO A 110 6.386 -6.104 3.330 1.00 0.00 H new ATOM 0 HG2 PRO A 110 8.477 -4.005 3.824 1.00 0.00 H new ATOM 0 HG3 PRO A 110 8.685 -5.714 3.497 1.00 0.00 H new ATOM 0 HD2 PRO A 110 9.038 -3.805 1.569 1.00 0.00 H new ATOM 0 HD3 PRO A 110 8.506 -5.430 1.186 1.00 0.00 H new ATOM 403 N ALA A 111 4.329 -2.518 3.142 1.00 0.00 N ATOM 404 CA ALA A 111 3.882 -1.277 3.684 1.00 0.00 C ATOM 405 C ALA A 111 2.616 -1.480 4.471 1.00 0.00 C ATOM 406 O ALA A 111 1.824 -2.367 4.172 1.00 0.00 O ATOM 407 CB ALA A 111 3.665 -0.269 2.582 1.00 0.00 C ATOM 0 H ALA A 111 3.580 -3.137 2.830 1.00 0.00 H new ATOM 0 HA ALA A 111 4.650 -0.892 4.355 1.00 0.00 H new ATOM 0 HB1 ALA A 111 3.324 0.673 3.012 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.601 -0.106 2.048 1.00 0.00 H new ATOM 0 HB3 ALA A 111 2.913 -0.645 1.888 1.00 0.00 H new ATOM 413 N THR A 112 2.415 -0.674 5.455 1.00 0.00 N ATOM 414 CA THR A 112 1.252 -0.800 6.277 1.00 0.00 C ATOM 415 C THR A 112 0.379 0.430 6.109 1.00 0.00 C ATOM 416 O THR A 112 0.880 1.549 6.079 1.00 0.00 O ATOM 417 CB THR A 112 1.639 -0.976 7.750 1.00 0.00 C ATOM 418 OG1 THR A 112 2.605 -2.045 7.854 1.00 0.00 O ATOM 419 CG2 THR A 112 0.408 -1.333 8.579 1.00 0.00 C ATOM 0 H THR A 112 3.043 0.086 5.715 1.00 0.00 H new ATOM 0 HA THR A 112 0.698 -1.686 5.966 1.00 0.00 H new ATOM 0 HB THR A 112 2.062 -0.044 8.125 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.473 -1.735 7.520 1.00 0.00 H new ATOM 0 HG21 THR A 112 0.696 -1.455 9.623 1.00 0.00 H new ATOM 0 HG22 THR A 112 -0.330 -0.535 8.497 1.00 0.00 H new ATOM 0 HG23 THR A 112 -0.022 -2.264 8.210 1.00 0.00 H new ATOM 427 N ILE A 113 -0.893 0.212 5.977 1.00 0.00 N ATOM 428 CA ILE A 113 -1.855 1.270 5.774 1.00 0.00 C ATOM 429 C ILE A 113 -1.984 2.132 7.020 1.00 0.00 C ATOM 430 O ILE A 113 -2.376 1.651 8.087 1.00 0.00 O ATOM 431 CB ILE A 113 -3.211 0.669 5.435 1.00 0.00 C ATOM 432 CG1 ILE A 113 -3.056 -0.266 4.247 1.00 0.00 C ATOM 433 CG2 ILE A 113 -4.210 1.772 5.116 1.00 0.00 C ATOM 434 CD1 ILE A 113 -4.227 -1.150 4.038 1.00 0.00 C ATOM 0 H ILE A 113 -1.307 -0.720 6.007 1.00 0.00 H new ATOM 0 HA ILE A 113 -1.509 1.896 4.951 1.00 0.00 H new ATOM 0 HB ILE A 113 -3.586 0.107 6.291 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -2.892 0.326 3.347 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -2.167 -0.880 4.391 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -5.176 1.329 4.875 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -4.317 2.427 5.980 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -3.853 2.351 4.264 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -4.050 -1.791 3.174 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -4.379 -1.768 4.923 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -5.115 -0.542 3.863 1.00 0.00 H new ATOM 446 N ALA A 114 -1.669 3.387 6.866 1.00 0.00 N ATOM 447 CA ALA A 114 -1.698 4.337 7.943 1.00 0.00 C ATOM 448 C ALA A 114 -3.032 5.063 7.990 1.00 0.00 C ATOM 449 O ALA A 114 -3.530 5.382 9.066 1.00 0.00 O ATOM 450 CB ALA A 114 -0.570 5.333 7.780 1.00 0.00 C ATOM 0 H ALA A 114 -1.380 3.786 5.973 1.00 0.00 H new ATOM 0 HA ALA A 114 -1.570 3.798 8.882 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -0.597 6.051 8.600 1.00 0.00 H new ATOM 0 HB2 ALA A 114 0.384 4.807 7.790 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -0.684 5.860 6.833 1.00 0.00 H new ATOM 456 N SER A 115 -3.601 5.349 6.829 1.00 0.00 N ATOM 457 CA SER A 115 -4.892 6.033 6.728 1.00 0.00 C ATOM 458 C SER A 115 -5.501 5.759 5.359 1.00 0.00 C ATOM 459 O SER A 115 -4.764 5.547 4.402 1.00 0.00 O ATOM 460 CB SER A 115 -4.726 7.549 6.925 1.00 0.00 C ATOM 461 OG SER A 115 -4.148 7.848 8.190 1.00 0.00 O ATOM 0 H SER A 115 -3.185 5.116 5.927 1.00 0.00 H new ATOM 0 HA SER A 115 -5.550 5.655 7.511 1.00 0.00 H new ATOM 0 HB2 SER A 115 -4.098 7.954 6.131 1.00 0.00 H new ATOM 0 HB3 SER A 115 -5.697 8.037 6.843 1.00 0.00 H new ATOM 0 HG SER A 115 -4.224 7.067 8.777 1.00 0.00 H new ATOM 467 N ILE A 116 -6.822 5.743 5.278 1.00 0.00 N ATOM 468 CA ILE A 116 -7.535 5.480 4.040 1.00 0.00 C ATOM 469 C ILE A 116 -8.543 6.587 3.759 1.00 0.00 C ATOM 470 O ILE A 116 -9.303 6.990 4.649 1.00 0.00 O ATOM 471 CB ILE A 116 -8.325 4.142 4.112 1.00 0.00 C ATOM 472 CG1 ILE A 116 -7.398 2.968 4.395 1.00 0.00 C ATOM 473 CG2 ILE A 116 -9.110 3.903 2.823 1.00 0.00 C ATOM 474 CD1 ILE A 116 -8.112 1.654 4.535 1.00 0.00 C ATOM 0 H ILE A 116 -7.433 5.914 6.076 1.00 0.00 H new ATOM 0 HA ILE A 116 -6.785 5.427 3.251 1.00 0.00 H new ATOM 0 HB ILE A 116 -9.032 4.221 4.938 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -6.668 2.891 3.589 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -6.842 3.168 5.311 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -9.654 2.961 2.898 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -9.816 4.719 2.670 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -8.420 3.858 1.980 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -7.387 0.865 4.735 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -8.822 1.712 5.360 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -8.646 1.430 3.612 1.00 0.00 H new ATOM 486 N ASP A 117 -8.543 7.067 2.549 1.00 0.00 N ATOM 487 CA ASP A 117 -9.530 8.013 2.094 1.00 0.00 C ATOM 488 C ASP A 117 -10.427 7.304 1.132 1.00 0.00 C ATOM 489 O ASP A 117 -10.013 6.948 0.028 1.00 0.00 O ATOM 490 CB ASP A 117 -8.912 9.218 1.423 1.00 0.00 C ATOM 491 CG ASP A 117 -9.958 10.265 1.112 1.00 0.00 C ATOM 492 OD1 ASP A 117 -10.576 10.228 0.037 1.00 0.00 O ATOM 493 OD2 ASP A 117 -10.203 11.135 1.977 1.00 0.00 O ATOM 0 H ASP A 117 -7.854 6.813 1.842 1.00 0.00 H new ATOM 0 HA ASP A 117 -10.082 8.386 2.957 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -8.146 9.646 2.070 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.416 8.911 0.502 1.00 0.00 H new ATOM 498 N PHE A 118 -11.639 7.086 1.537 1.00 0.00 N ATOM 499 CA PHE A 118 -12.574 6.315 0.758 1.00 0.00 C ATOM 500 C PHE A 118 -13.107 7.096 -0.423 1.00 0.00 C ATOM 501 O PHE A 118 -13.561 6.517 -1.393 1.00 0.00 O ATOM 502 CB PHE A 118 -13.713 5.801 1.636 1.00 0.00 C ATOM 503 CG PHE A 118 -13.253 4.852 2.709 1.00 0.00 C ATOM 504 CD1 PHE A 118 -13.066 3.510 2.427 1.00 0.00 C ATOM 505 CD2 PHE A 118 -12.997 5.304 3.993 1.00 0.00 C ATOM 506 CE1 PHE A 118 -12.636 2.636 3.406 1.00 0.00 C ATOM 507 CE2 PHE A 118 -12.567 4.438 4.975 1.00 0.00 C ATOM 508 CZ PHE A 118 -12.385 3.103 4.682 1.00 0.00 C ATOM 0 H PHE A 118 -12.015 7.436 2.418 1.00 0.00 H new ATOM 0 HA PHE A 118 -12.035 5.457 0.356 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -14.215 6.649 2.101 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -14.449 5.300 1.008 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -13.259 3.142 1.430 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -13.136 6.349 4.228 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -12.496 1.590 3.175 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -12.373 4.804 5.972 1.00 0.00 H new ATOM 0 HZ PHE A 118 -12.046 2.423 5.449 1.00 0.00 H new ATOM 518 N LYS A 119 -13.027 8.400 -0.351 1.00 0.00 N ATOM 519 CA LYS A 119 -13.521 9.238 -1.423 1.00 0.00 C ATOM 520 C LYS A 119 -12.599 9.187 -2.632 1.00 0.00 C ATOM 521 O LYS A 119 -13.063 9.203 -3.774 1.00 0.00 O ATOM 522 CB LYS A 119 -13.746 10.671 -0.950 1.00 0.00 C ATOM 523 CG LYS A 119 -14.793 10.806 0.151 1.00 0.00 C ATOM 524 CD LYS A 119 -16.181 10.330 -0.293 1.00 0.00 C ATOM 525 CE LYS A 119 -16.757 11.197 -1.406 1.00 0.00 C ATOM 526 NZ LYS A 119 -18.073 10.703 -1.858 1.00 0.00 N ATOM 0 H LYS A 119 -12.625 8.908 0.437 1.00 0.00 H new ATOM 0 HA LYS A 119 -14.489 8.843 -1.732 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -12.801 11.076 -0.589 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -14.049 11.280 -1.802 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -14.477 10.230 1.021 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -14.853 11.848 0.464 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -16.117 9.297 -0.635 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -16.858 10.341 0.561 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -16.855 12.224 -1.053 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -16.066 11.214 -2.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -18.433 11.318 -2.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -17.975 9.732 -2.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -18.740 10.711 -1.060 1.00 0.00 H new ATOM 540 N ARG A 120 -11.298 9.109 -2.392 1.00 0.00 N ATOM 541 CA ARG A 120 -10.352 9.001 -3.500 1.00 0.00 C ATOM 542 C ARG A 120 -10.028 7.539 -3.744 1.00 0.00 C ATOM 543 O ARG A 120 -9.409 7.183 -4.762 1.00 0.00 O ATOM 544 CB ARG A 120 -9.036 9.696 -3.147 1.00 0.00 C ATOM 545 CG ARG A 120 -9.134 11.147 -2.739 1.00 0.00 C ATOM 546 CD ARG A 120 -9.637 12.027 -3.854 1.00 0.00 C ATOM 547 NE ARG A 120 -9.618 13.427 -3.453 1.00 0.00 N ATOM 548 CZ ARG A 120 -9.930 14.463 -4.222 1.00 0.00 C ATOM 549 NH1 ARG A 120 -10.353 14.272 -5.477 1.00 0.00 N ATOM 550 NH2 ARG A 120 -9.826 15.692 -3.729 1.00 0.00 N ATOM 0 H ARG A 120 -10.877 9.118 -1.463 1.00 0.00 H new ATOM 0 HA ARG A 120 -10.804 9.462 -4.378 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -8.564 9.143 -2.335 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -8.371 9.627 -4.008 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -9.801 11.236 -1.881 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -8.153 11.498 -2.418 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -9.018 11.889 -4.740 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -10.652 11.735 -4.125 1.00 0.00 H new ATOM 0 HE ARG A 120 -9.339 13.630 -2.493 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -10.437 13.326 -5.848 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -10.591 15.073 -6.062 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -9.509 15.831 -2.769 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -10.063 16.496 -4.310 1.00 0.00 H new ATOM 564 N GLU A 121 -10.496 6.698 -2.822 1.00 0.00 N ATOM 565 CA GLU A 121 -10.197 5.268 -2.789 1.00 0.00 C ATOM 566 C GLU A 121 -8.682 5.053 -2.715 1.00 0.00 C ATOM 567 O GLU A 121 -8.124 4.084 -3.255 1.00 0.00 O ATOM 568 CB GLU A 121 -10.846 4.520 -3.961 1.00 0.00 C ATOM 569 CG GLU A 121 -12.366 4.571 -3.921 1.00 0.00 C ATOM 570 CD GLU A 121 -13.017 3.802 -5.034 1.00 0.00 C ATOM 571 OE1 GLU A 121 -13.229 4.379 -6.123 1.00 0.00 O ATOM 572 OE2 GLU A 121 -13.353 2.618 -4.842 1.00 0.00 O ATOM 0 H GLU A 121 -11.106 6.999 -2.062 1.00 0.00 H new ATOM 0 HA GLU A 121 -10.638 4.840 -1.889 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -10.497 4.951 -4.899 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -10.521 3.480 -3.947 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -12.711 4.175 -2.966 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -12.689 5.611 -3.970 1.00 0.00 H new ATOM 579 N THR A 122 -8.026 5.945 -1.999 1.00 0.00 N ATOM 580 CA THR A 122 -6.607 5.884 -1.826 1.00 0.00 C ATOM 581 C THR A 122 -6.270 5.801 -0.350 1.00 0.00 C ATOM 582 O THR A 122 -7.113 6.071 0.500 1.00 0.00 O ATOM 583 CB THR A 122 -5.889 7.095 -2.465 1.00 0.00 C ATOM 584 OG1 THR A 122 -6.426 8.324 -1.944 1.00 0.00 O ATOM 585 CG2 THR A 122 -6.035 7.089 -3.977 1.00 0.00 C ATOM 0 H THR A 122 -8.472 6.730 -1.524 1.00 0.00 H new ATOM 0 HA THR A 122 -6.253 4.988 -2.336 1.00 0.00 H new ATOM 0 HB THR A 122 -4.831 7.019 -2.216 1.00 0.00 H new ATOM 0 HG1 THR A 122 -5.962 9.084 -2.355 1.00 0.00 H new ATOM 0 HG21 THR A 122 -5.519 7.953 -4.396 1.00 0.00 H new ATOM 0 HG22 THR A 122 -5.599 6.175 -4.381 1.00 0.00 H new ATOM 0 HG23 THR A 122 -7.092 7.134 -4.241 1.00 0.00 H new ATOM 593 N CYS A 123 -5.083 5.406 -0.047 1.00 0.00 N ATOM 594 CA CYS A 123 -4.646 5.284 1.300 1.00 0.00 C ATOM 595 C CYS A 123 -3.174 5.570 1.398 1.00 0.00 C ATOM 596 O CYS A 123 -2.432 5.391 0.434 1.00 0.00 O ATOM 597 CB CYS A 123 -4.937 3.883 1.797 1.00 0.00 C ATOM 598 SG CYS A 123 -4.298 2.599 0.710 1.00 0.00 S ATOM 0 H CYS A 123 -4.377 5.155 -0.739 1.00 0.00 H new ATOM 0 HA CYS A 123 -5.180 6.006 1.917 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -4.503 3.759 2.789 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -6.015 3.758 1.902 1.00 0.00 H new ATOM 0 HG CYS A 123 -3.972 3.122 -0.435 1.00 0.00 H new ATOM 604 N VAL A 124 -2.759 6.010 2.532 1.00 0.00 N ATOM 605 CA VAL A 124 -1.376 6.257 2.784 1.00 0.00 C ATOM 606 C VAL A 124 -0.812 5.044 3.475 1.00 0.00 C ATOM 607 O VAL A 124 -1.418 4.537 4.427 1.00 0.00 O ATOM 608 CB VAL A 124 -1.158 7.514 3.666 1.00 0.00 C ATOM 609 CG1 VAL A 124 0.321 7.718 3.953 1.00 0.00 C ATOM 610 CG2 VAL A 124 -1.733 8.746 2.990 1.00 0.00 C ATOM 0 H VAL A 124 -3.372 6.212 3.322 1.00 0.00 H new ATOM 0 HA VAL A 124 -0.871 6.444 1.836 1.00 0.00 H new ATOM 0 HB VAL A 124 -1.678 7.359 4.612 1.00 0.00 H new ATOM 0 HG11 VAL A 124 0.452 8.605 4.573 1.00 0.00 H new ATOM 0 HG12 VAL A 124 0.713 6.847 4.478 1.00 0.00 H new ATOM 0 HG13 VAL A 124 0.859 7.849 3.014 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -1.571 9.618 3.624 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -1.239 8.898 2.030 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -2.802 8.608 2.830 1.00 0.00 H new ATOM 620 N VAL A 125 0.309 4.575 3.015 1.00 0.00 N ATOM 621 CA VAL A 125 0.933 3.424 3.584 1.00 0.00 C ATOM 622 C VAL A 125 2.344 3.778 4.016 1.00 0.00 C ATOM 623 O VAL A 125 2.995 4.637 3.415 1.00 0.00 O ATOM 624 CB VAL A 125 0.984 2.220 2.583 1.00 0.00 C ATOM 625 CG1 VAL A 125 -0.400 1.819 2.096 1.00 0.00 C ATOM 626 CG2 VAL A 125 1.908 2.511 1.402 1.00 0.00 C ATOM 0 H VAL A 125 0.817 4.984 2.231 1.00 0.00 H new ATOM 0 HA VAL A 125 0.335 3.115 4.441 1.00 0.00 H new ATOM 0 HB VAL A 125 1.394 1.375 3.135 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -0.314 0.981 1.405 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -1.014 1.526 2.947 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -0.865 2.663 1.587 1.00 0.00 H new ATOM 0 HG21 VAL A 125 1.919 1.654 0.729 1.00 0.00 H new ATOM 0 HG22 VAL A 125 1.548 3.389 0.866 1.00 0.00 H new ATOM 0 HG23 VAL A 125 2.918 2.698 1.767 1.00 0.00 H new ATOM 636 N VAL A 126 2.778 3.154 5.063 1.00 0.00 N ATOM 637 CA VAL A 126 4.096 3.335 5.602 1.00 0.00 C ATOM 638 C VAL A 126 4.922 2.120 5.277 1.00 0.00 C ATOM 639 O VAL A 126 4.559 1.005 5.652 1.00 0.00 O ATOM 640 CB VAL A 126 4.062 3.544 7.141 1.00 0.00 C ATOM 641 CG1 VAL A 126 5.476 3.553 7.716 1.00 0.00 C ATOM 642 CG2 VAL A 126 3.339 4.843 7.487 1.00 0.00 C ATOM 0 H VAL A 126 2.213 2.484 5.585 1.00 0.00 H new ATOM 0 HA VAL A 126 4.533 4.228 5.156 1.00 0.00 H new ATOM 0 HB VAL A 126 3.516 2.713 7.587 1.00 0.00 H new ATOM 0 HG11 VAL A 126 5.429 3.701 8.795 1.00 0.00 H new ATOM 0 HG12 VAL A 126 5.962 2.602 7.501 1.00 0.00 H new ATOM 0 HG13 VAL A 126 6.048 4.363 7.263 1.00 0.00 H new ATOM 0 HG21 VAL A 126 3.324 4.974 8.569 1.00 0.00 H new ATOM 0 HG22 VAL A 126 3.860 5.683 7.027 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.316 4.801 7.113 1.00 0.00 H new ATOM 652 N TYR A 127 6.003 2.331 4.575 1.00 0.00 N ATOM 653 CA TYR A 127 6.883 1.262 4.183 1.00 0.00 C ATOM 654 C TYR A 127 7.613 0.736 5.379 1.00 0.00 C ATOM 655 O TYR A 127 8.427 1.453 6.018 1.00 0.00 O ATOM 656 CB TYR A 127 7.849 1.705 3.113 1.00 0.00 C ATOM 657 CG TYR A 127 7.182 2.059 1.818 1.00 0.00 C ATOM 658 CD1 TYR A 127 6.738 1.061 0.964 1.00 0.00 C ATOM 659 CD2 TYR A 127 6.984 3.379 1.450 1.00 0.00 C ATOM 660 CE1 TYR A 127 6.122 1.365 -0.222 1.00 0.00 C ATOM 661 CE2 TYR A 127 6.356 3.689 0.273 1.00 0.00 C ATOM 662 CZ TYR A 127 5.929 2.679 -0.562 1.00 0.00 C ATOM 663 OH TYR A 127 5.261 2.984 -1.731 1.00 0.00 O ATOM 0 H TYR A 127 6.300 3.254 4.257 1.00 0.00 H new ATOM 0 HA TYR A 127 6.278 0.460 3.759 1.00 0.00 H new ATOM 0 HB2 TYR A 127 8.408 2.569 3.473 1.00 0.00 H new ATOM 0 HB3 TYR A 127 8.572 0.909 2.935 1.00 0.00 H new ATOM 0 HD1 TYR A 127 6.880 0.026 1.238 1.00 0.00 H new ATOM 0 HD2 TYR A 127 7.328 4.172 2.097 1.00 0.00 H new ATOM 0 HE1 TYR A 127 5.792 0.577 -0.882 1.00 0.00 H new ATOM 0 HE2 TYR A 127 6.196 4.722 0.000 1.00 0.00 H new ATOM 0 HH TYR A 127 5.522 3.879 -2.033 1.00 0.00 H new ATOM 673 N THR A 128 7.333 -0.489 5.668 1.00 0.00 N ATOM 674 CA THR A 128 7.804 -1.144 6.817 1.00 0.00 C ATOM 675 C THR A 128 9.312 -1.384 6.741 1.00 0.00 C ATOM 676 O THR A 128 9.846 -1.878 5.732 1.00 0.00 O ATOM 677 CB THR A 128 7.032 -2.455 6.967 1.00 0.00 C ATOM 678 OG1 THR A 128 5.619 -2.150 7.051 1.00 0.00 O ATOM 679 CG2 THR A 128 7.468 -3.213 8.198 1.00 0.00 C ATOM 0 H THR A 128 6.744 -1.077 5.078 1.00 0.00 H new ATOM 0 HA THR A 128 7.638 -0.519 7.695 1.00 0.00 H new ATOM 0 HB THR A 128 7.235 -3.087 6.102 1.00 0.00 H new ATOM 0 HG1 THR A 128 5.110 -2.982 7.146 1.00 0.00 H new ATOM 0 HG21 THR A 128 6.900 -4.140 8.275 1.00 0.00 H new ATOM 0 HG22 THR A 128 8.531 -3.444 8.126 1.00 0.00 H new ATOM 0 HG23 THR A 128 7.289 -2.603 9.083 1.00 0.00 H new ATOM 687 N GLY A 129 9.991 -0.993 7.796 1.00 0.00 N ATOM 688 CA GLY A 129 11.408 -1.160 7.868 1.00 0.00 C ATOM 689 C GLY A 129 12.142 0.061 7.404 1.00 0.00 C ATOM 690 O GLY A 129 13.322 0.234 7.696 1.00 0.00 O ATOM 0 H GLY A 129 9.573 -0.555 8.617 1.00 0.00 H new ATOM 0 HA2 GLY A 129 11.694 -1.387 8.895 1.00 0.00 H new ATOM 0 HA3 GLY A 129 11.704 -2.014 7.259 1.00 0.00 H new ATOM 694 N TYR A 130 11.462 0.927 6.692 1.00 0.00 N ATOM 695 CA TYR A 130 12.120 2.082 6.157 1.00 0.00 C ATOM 696 C TYR A 130 11.687 3.332 6.868 1.00 0.00 C ATOM 697 O TYR A 130 12.525 4.093 7.364 1.00 0.00 O ATOM 698 CB TYR A 130 11.864 2.195 4.681 1.00 0.00 C ATOM 699 CG TYR A 130 12.298 0.984 3.891 1.00 0.00 C ATOM 700 CD1 TYR A 130 13.638 0.735 3.648 1.00 0.00 C ATOM 701 CD2 TYR A 130 11.363 0.102 3.374 1.00 0.00 C ATOM 702 CE1 TYR A 130 14.033 -0.359 2.910 1.00 0.00 C ATOM 703 CE2 TYR A 130 11.748 -0.989 2.631 1.00 0.00 C ATOM 704 CZ TYR A 130 13.080 -1.216 2.403 1.00 0.00 C ATOM 705 OH TYR A 130 13.470 -2.304 1.644 1.00 0.00 O ATOM 0 H TYR A 130 10.468 0.852 6.475 1.00 0.00 H new ATOM 0 HA TYR A 130 13.192 1.964 6.315 1.00 0.00 H new ATOM 0 HB2 TYR A 130 10.799 2.360 4.518 1.00 0.00 H new ATOM 0 HB3 TYR A 130 12.385 3.073 4.298 1.00 0.00 H new ATOM 0 HD1 TYR A 130 14.384 1.408 4.043 1.00 0.00 H new ATOM 0 HD2 TYR A 130 10.313 0.274 3.558 1.00 0.00 H new ATOM 0 HE1 TYR A 130 15.082 -0.544 2.730 1.00 0.00 H new ATOM 0 HE2 TYR A 130 11.005 -1.663 2.230 1.00 0.00 H new ATOM 0 HH TYR A 130 12.980 -2.303 0.795 1.00 0.00 H new ATOM 715 N GLY A 131 10.397 3.541 6.943 1.00 0.00 N ATOM 716 CA GLY A 131 9.903 4.705 7.622 1.00 0.00 C ATOM 717 C GLY A 131 9.422 5.794 6.691 1.00 0.00 C ATOM 718 O GLY A 131 9.377 6.965 7.076 1.00 0.00 O ATOM 0 H GLY A 131 9.682 2.930 6.548 1.00 0.00 H new ATOM 0 HA2 GLY A 131 9.083 4.412 8.278 1.00 0.00 H new ATOM 0 HA3 GLY A 131 10.692 5.106 8.258 1.00 0.00 H new ATOM 722 N ASN A 132 9.080 5.434 5.468 1.00 0.00 N ATOM 723 CA ASN A 132 8.481 6.414 4.552 1.00 0.00 C ATOM 724 C ASN A 132 7.031 6.138 4.423 1.00 0.00 C ATOM 725 O ASN A 132 6.583 5.028 4.707 1.00 0.00 O ATOM 726 CB ASN A 132 9.077 6.439 3.138 1.00 0.00 C ATOM 727 CG ASN A 132 10.451 7.066 3.020 1.00 0.00 C ATOM 728 OD1 ASN A 132 10.835 7.915 3.816 1.00 0.00 O ATOM 729 ND2 ASN A 132 11.171 6.699 1.987 1.00 0.00 N ATOM 0 H ASN A 132 9.198 4.497 5.083 1.00 0.00 H new ATOM 0 HA ASN A 132 8.693 7.385 4.999 1.00 0.00 H new ATOM 0 HB2 ASN A 132 9.131 5.415 2.767 1.00 0.00 H new ATOM 0 HB3 ASN A 132 8.393 6.979 2.484 1.00 0.00 H new ATOM 0 HD21 ASN A 132 12.084 7.124 1.825 1.00 0.00 H new ATOM 0 HD22 ASN A 132 10.818 5.989 1.346 1.00 0.00 H new ATOM 736 N ARG A 133 6.307 7.101 3.957 1.00 0.00 N ATOM 737 CA ARG A 133 4.891 6.969 3.796 1.00 0.00 C ATOM 738 C ARG A 133 4.503 7.524 2.438 1.00 0.00 C ATOM 739 O ARG A 133 4.996 8.573 2.026 1.00 0.00 O ATOM 740 CB ARG A 133 4.136 7.640 4.980 1.00 0.00 C ATOM 741 CG ARG A 133 4.296 9.150 5.100 1.00 0.00 C ATOM 742 CD ARG A 133 3.189 9.885 4.380 1.00 0.00 C ATOM 743 NE ARG A 133 3.426 11.326 4.332 1.00 0.00 N ATOM 744 CZ ARG A 133 2.493 12.267 4.148 1.00 0.00 C ATOM 745 NH1 ARG A 133 1.199 11.947 4.156 1.00 0.00 N ATOM 746 NH2 ARG A 133 2.858 13.528 3.988 1.00 0.00 N ATOM 0 H ARG A 133 6.680 8.008 3.675 1.00 0.00 H new ATOM 0 HA ARG A 133 4.598 5.920 3.822 1.00 0.00 H new ATOM 0 HB2 ARG A 133 3.074 7.413 4.884 1.00 0.00 H new ATOM 0 HB3 ARG A 133 4.477 7.183 5.909 1.00 0.00 H new ATOM 0 HG2 ARG A 133 4.298 9.434 6.152 1.00 0.00 H new ATOM 0 HG3 ARG A 133 5.260 9.448 4.688 1.00 0.00 H new ATOM 0 HD2 ARG A 133 3.099 9.499 3.365 1.00 0.00 H new ATOM 0 HD3 ARG A 133 2.240 9.691 4.880 1.00 0.00 H new ATOM 0 HE ARG A 133 4.388 11.643 4.449 1.00 0.00 H new ATOM 0 HH11 ARG A 133 0.914 10.979 4.303 1.00 0.00 H new ATOM 0 HH12 ARG A 133 0.494 12.670 4.015 1.00 0.00 H new ATOM 0 HH21 ARG A 133 3.847 13.779 4.005 1.00 0.00 H new ATOM 0 HH22 ARG A 133 2.151 14.250 3.847 1.00 0.00 H new ATOM 760 N GLU A 134 3.660 6.820 1.751 1.00 0.00 N ATOM 761 CA GLU A 134 3.283 7.150 0.417 1.00 0.00 C ATOM 762 C GLU A 134 1.804 6.833 0.208 1.00 0.00 C ATOM 763 O GLU A 134 1.269 5.939 0.860 1.00 0.00 O ATOM 764 CB GLU A 134 4.216 6.375 -0.519 1.00 0.00 C ATOM 765 CG GLU A 134 3.888 6.428 -1.971 1.00 0.00 C ATOM 766 CD GLU A 134 5.133 6.311 -2.826 1.00 0.00 C ATOM 767 OE1 GLU A 134 5.735 7.364 -3.145 1.00 0.00 O ATOM 768 OE2 GLU A 134 5.541 5.188 -3.199 1.00 0.00 O ATOM 0 H GLU A 134 3.206 5.981 2.112 1.00 0.00 H new ATOM 0 HA GLU A 134 3.390 8.214 0.205 1.00 0.00 H new ATOM 0 HB2 GLU A 134 5.229 6.754 -0.383 1.00 0.00 H new ATOM 0 HB3 GLU A 134 4.222 5.330 -0.208 1.00 0.00 H new ATOM 0 HG2 GLU A 134 3.198 5.621 -2.219 1.00 0.00 H new ATOM 0 HG3 GLU A 134 3.378 7.365 -2.196 1.00 0.00 H new ATOM 775 N GLU A 135 1.157 7.558 -0.679 1.00 0.00 N ATOM 776 CA GLU A 135 -0.265 7.421 -0.897 1.00 0.00 C ATOM 777 C GLU A 135 -0.501 6.614 -2.148 1.00 0.00 C ATOM 778 O GLU A 135 -0.078 6.983 -3.244 1.00 0.00 O ATOM 779 CB GLU A 135 -0.928 8.796 -1.013 1.00 0.00 C ATOM 780 CG GLU A 135 -2.447 8.749 -1.150 1.00 0.00 C ATOM 781 CD GLU A 135 -3.068 10.118 -1.265 1.00 0.00 C ATOM 782 OE1 GLU A 135 -3.338 10.757 -0.222 1.00 0.00 O ATOM 783 OE2 GLU A 135 -3.316 10.578 -2.392 1.00 0.00 O ATOM 0 H GLU A 135 1.604 8.260 -1.269 1.00 0.00 H new ATOM 0 HA GLU A 135 -0.710 6.905 -0.046 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -0.672 9.386 -0.133 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -0.513 9.315 -1.877 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -2.709 8.161 -2.030 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -2.869 8.235 -0.286 1.00 0.00 H new ATOM 790 N GLN A 136 -1.163 5.519 -1.967 1.00 0.00 N ATOM 791 CA GLN A 136 -1.403 4.552 -2.996 1.00 0.00 C ATOM 792 C GLN A 136 -2.894 4.300 -3.064 1.00 0.00 C ATOM 793 O GLN A 136 -3.616 4.644 -2.145 1.00 0.00 O ATOM 794 CB GLN A 136 -0.688 3.259 -2.617 1.00 0.00 C ATOM 795 CG GLN A 136 0.791 3.453 -2.279 1.00 0.00 C ATOM 796 CD GLN A 136 1.680 3.660 -3.491 1.00 0.00 C ATOM 797 OE1 GLN A 136 1.252 4.153 -4.544 1.00 0.00 O ATOM 798 NE2 GLN A 136 2.927 3.358 -3.333 1.00 0.00 N ATOM 0 H GLN A 136 -1.568 5.261 -1.067 1.00 0.00 H new ATOM 0 HA GLN A 136 -1.038 4.907 -3.960 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -1.192 2.813 -1.760 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -0.774 2.551 -3.441 1.00 0.00 H new ATOM 0 HG2 GLN A 136 0.892 4.313 -1.616 1.00 0.00 H new ATOM 0 HG3 GLN A 136 1.144 2.582 -1.727 1.00 0.00 H new ATOM 0 HE21 GLN A 136 3.246 2.953 -2.453 1.00 0.00 H new ATOM 0 HE22 GLN A 136 3.592 3.524 -4.089 1.00 0.00 H new ATOM 807 N ASN A 137 -3.345 3.723 -4.119 1.00 0.00 N ATOM 808 CA ASN A 137 -4.763 3.421 -4.288 1.00 0.00 C ATOM 809 C ASN A 137 -5.050 2.112 -3.637 1.00 0.00 C ATOM 810 O ASN A 137 -4.233 1.209 -3.703 1.00 0.00 O ATOM 811 CB ASN A 137 -5.117 3.286 -5.770 1.00 0.00 C ATOM 812 CG ASN A 137 -4.730 4.477 -6.609 1.00 0.00 C ATOM 813 OD1 ASN A 137 -5.526 5.392 -6.828 1.00 0.00 O ATOM 814 ND2 ASN A 137 -3.501 4.496 -7.061 1.00 0.00 N ATOM 0 H ASN A 137 -2.759 3.437 -4.904 1.00 0.00 H new ATOM 0 HA ASN A 137 -5.345 4.229 -3.845 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -4.626 2.399 -6.170 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -6.191 3.124 -5.862 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -3.174 5.287 -7.615 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -2.871 3.720 -6.859 1.00 0.00 H new ATOM 821 N LEU A 138 -6.212 1.999 -3.045 1.00 0.00 N ATOM 822 CA LEU A 138 -6.674 0.745 -2.419 1.00 0.00 C ATOM 823 C LEU A 138 -6.712 -0.357 -3.461 1.00 0.00 C ATOM 824 O LEU A 138 -6.354 -1.496 -3.206 1.00 0.00 O ATOM 825 CB LEU A 138 -8.074 0.955 -1.849 1.00 0.00 C ATOM 826 CG LEU A 138 -8.192 1.985 -0.735 1.00 0.00 C ATOM 827 CD1 LEU A 138 -9.641 2.334 -0.513 1.00 0.00 C ATOM 828 CD2 LEU A 138 -7.584 1.451 0.546 1.00 0.00 C ATOM 0 H LEU A 138 -6.881 2.766 -2.973 1.00 0.00 H new ATOM 0 HA LEU A 138 -5.991 0.462 -1.618 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -8.736 1.252 -2.663 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -8.439 -0.001 -1.474 1.00 0.00 H new ATOM 0 HG LEU A 138 -7.648 2.883 -1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -9.719 3.072 0.286 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -10.061 2.747 -1.431 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -10.193 1.437 -0.233 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.677 2.200 1.333 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -8.107 0.543 0.846 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -6.530 1.225 0.382 1.00 0.00 H new ATOM 840 N SER A 139 -7.096 0.032 -4.649 1.00 0.00 N ATOM 841 CA SER A 139 -7.198 -0.849 -5.779 1.00 0.00 C ATOM 842 C SER A 139 -5.808 -1.220 -6.319 1.00 0.00 C ATOM 843 O SER A 139 -5.642 -2.243 -6.984 1.00 0.00 O ATOM 844 CB SER A 139 -7.982 -0.119 -6.855 1.00 0.00 C ATOM 845 OG SER A 139 -9.161 0.438 -6.295 1.00 0.00 O ATOM 0 H SER A 139 -7.353 0.996 -4.861 1.00 0.00 H new ATOM 0 HA SER A 139 -7.695 -1.773 -5.483 1.00 0.00 H new ATOM 0 HB2 SER A 139 -7.369 0.669 -7.293 1.00 0.00 H new ATOM 0 HB3 SER A 139 -8.240 -0.807 -7.660 1.00 0.00 H new ATOM 0 HG SER A 139 -9.847 0.519 -6.990 1.00 0.00 H new ATOM 851 N ASP A 140 -4.810 -0.414 -5.981 1.00 0.00 N ATOM 852 CA ASP A 140 -3.466 -0.577 -6.548 1.00 0.00 C ATOM 853 C ASP A 140 -2.552 -1.244 -5.548 1.00 0.00 C ATOM 854 O ASP A 140 -1.418 -1.635 -5.871 1.00 0.00 O ATOM 855 CB ASP A 140 -2.887 0.772 -6.962 1.00 0.00 C ATOM 856 CG ASP A 140 -1.575 0.663 -7.722 1.00 0.00 C ATOM 857 OD1 ASP A 140 -1.593 0.285 -8.918 1.00 0.00 O ATOM 858 OD2 ASP A 140 -0.520 1.000 -7.167 1.00 0.00 O ATOM 0 H ASP A 140 -4.899 0.358 -5.320 1.00 0.00 H new ATOM 0 HA ASP A 140 -3.545 -1.208 -7.433 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -3.614 1.295 -7.583 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -2.732 1.380 -6.071 1.00 0.00 H new ATOM 863 N LEU A 141 -3.044 -1.383 -4.332 1.00 0.00 N ATOM 864 CA LEU A 141 -2.313 -2.063 -3.301 1.00 0.00 C ATOM 865 C LEU A 141 -2.115 -3.496 -3.677 1.00 0.00 C ATOM 866 O LEU A 141 -2.794 -4.031 -4.553 1.00 0.00 O ATOM 867 CB LEU A 141 -3.006 -1.979 -1.944 1.00 0.00 C ATOM 868 CG LEU A 141 -3.115 -0.597 -1.316 1.00 0.00 C ATOM 869 CD1 LEU A 141 -3.729 -0.699 0.060 1.00 0.00 C ATOM 870 CD2 LEU A 141 -1.754 0.063 -1.239 1.00 0.00 C ATOM 0 H LEU A 141 -3.955 -1.028 -4.041 1.00 0.00 H new ATOM 0 HA LEU A 141 -1.348 -1.564 -3.207 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -4.012 -2.385 -2.050 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -2.473 -2.627 -1.249 1.00 0.00 H new ATOM 0 HG LEU A 141 -3.759 0.020 -1.943 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -3.802 0.295 0.500 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -4.725 -1.136 -0.017 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -3.104 -1.330 0.692 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -1.853 1.050 -0.787 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -1.087 -0.549 -0.632 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -1.341 0.163 -2.243 1.00 0.00 H new ATOM 882 N LEU A 142 -1.195 -4.091 -3.068 1.00 0.00 N ATOM 883 CA LEU A 142 -0.872 -5.435 -3.355 1.00 0.00 C ATOM 884 C LEU A 142 -0.936 -6.202 -2.076 1.00 0.00 C ATOM 885 O LEU A 142 -0.888 -5.604 -0.990 1.00 0.00 O ATOM 886 CB LEU A 142 0.520 -5.478 -3.976 1.00 0.00 C ATOM 887 CG LEU A 142 0.682 -4.645 -5.249 1.00 0.00 C ATOM 888 CD1 LEU A 142 2.135 -4.431 -5.571 1.00 0.00 C ATOM 889 CD2 LEU A 142 -0.034 -5.293 -6.424 1.00 0.00 C ATOM 0 H LEU A 142 -0.624 -3.665 -2.339 1.00 0.00 H new ATOM 0 HA LEU A 142 -1.569 -5.881 -4.065 1.00 0.00 H new ATOM 0 HB2 LEU A 142 1.243 -5.131 -3.237 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.769 -6.515 -4.203 1.00 0.00 H new ATOM 0 HG LEU A 142 0.224 -3.673 -5.067 1.00 0.00 H new ATOM 0 HD11 LEU A 142 2.222 -3.836 -6.480 1.00 0.00 H new ATOM 0 HD12 LEU A 142 2.617 -3.906 -4.746 1.00 0.00 H new ATOM 0 HD13 LEU A 142 2.620 -5.395 -5.720 1.00 0.00 H new ATOM 0 HD21 LEU A 142 0.099 -4.679 -7.315 1.00 0.00 H new ATOM 0 HD22 LEU A 142 0.382 -6.285 -6.602 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -1.097 -5.381 -6.199 1.00 0.00 H new ATOM 901 N SER A 143 -1.068 -7.481 -2.181 1.00 0.00 N ATOM 902 CA SER A 143 -1.172 -8.327 -1.026 1.00 0.00 C ATOM 903 C SER A 143 0.143 -8.334 -0.257 1.00 0.00 C ATOM 904 O SER A 143 1.223 -8.438 -0.859 1.00 0.00 O ATOM 905 CB SER A 143 -1.583 -9.725 -1.447 1.00 0.00 C ATOM 906 OG SER A 143 -2.803 -9.685 -2.182 1.00 0.00 O ATOM 0 H SER A 143 -1.108 -7.978 -3.071 1.00 0.00 H new ATOM 0 HA SER A 143 -1.941 -7.937 -0.358 1.00 0.00 H new ATOM 0 HB2 SER A 143 -0.798 -10.173 -2.057 1.00 0.00 H new ATOM 0 HB3 SER A 143 -1.702 -10.356 -0.566 1.00 0.00 H new ATOM 0 HG SER A 143 -3.054 -10.594 -2.448 1.00 0.00 H new ATOM 912 N PRO A 144 0.070 -8.221 1.074 1.00 0.00 N ATOM 913 CA PRO A 144 1.244 -8.084 1.929 1.00 0.00 C ATOM 914 C PRO A 144 2.193 -9.257 1.837 1.00 0.00 C ATOM 915 O PRO A 144 1.787 -10.399 1.558 1.00 0.00 O ATOM 916 CB PRO A 144 0.667 -7.996 3.340 1.00 0.00 C ATOM 917 CG PRO A 144 -0.683 -8.600 3.235 1.00 0.00 C ATOM 918 CD PRO A 144 -1.174 -8.257 1.868 1.00 0.00 C ATOM 0 HA PRO A 144 1.836 -7.218 1.633 1.00 0.00 H new ATOM 0 HB2 PRO A 144 1.287 -8.536 4.055 1.00 0.00 H new ATOM 0 HB3 PRO A 144 0.613 -6.962 3.681 1.00 0.00 H new ATOM 0 HG2 PRO A 144 -0.641 -9.680 3.376 1.00 0.00 H new ATOM 0 HG3 PRO A 144 -1.350 -8.204 4.001 1.00 0.00 H new ATOM 0 HD2 PRO A 144 -1.874 -9.003 1.490 1.00 0.00 H new ATOM 0 HD3 PRO A 144 -1.692 -7.298 1.853 1.00 0.00 H new ATOM 926 N ILE A 145 3.438 -8.970 2.061 1.00 0.00 N ATOM 927 CA ILE A 145 4.473 -9.966 2.076 1.00 0.00 C ATOM 928 C ILE A 145 4.427 -10.628 3.464 1.00 0.00 C ATOM 929 O ILE A 145 3.678 -10.175 4.343 1.00 0.00 O ATOM 930 CB ILE A 145 5.870 -9.283 1.778 1.00 0.00 C ATOM 931 CG1 ILE A 145 5.765 -8.453 0.483 1.00 0.00 C ATOM 932 CG2 ILE A 145 6.997 -10.312 1.629 1.00 0.00 C ATOM 933 CD1 ILE A 145 7.024 -7.696 0.116 1.00 0.00 C ATOM 0 H ILE A 145 3.772 -8.023 2.242 1.00 0.00 H new ATOM 0 HA ILE A 145 4.329 -10.725 1.307 1.00 0.00 H new ATOM 0 HB ILE A 145 6.114 -8.644 2.627 1.00 0.00 H new ATOM 0 HG12 ILE A 145 5.504 -9.119 -0.340 1.00 0.00 H new ATOM 0 HG13 ILE A 145 4.946 -7.741 0.589 1.00 0.00 H new ATOM 0 HG21 ILE A 145 7.936 -9.797 1.425 1.00 0.00 H new ATOM 0 HG22 ILE A 145 7.090 -10.885 2.551 1.00 0.00 H new ATOM 0 HG23 ILE A 145 6.767 -10.986 0.804 1.00 0.00 H new ATOM 0 HD11 ILE A 145 6.859 -7.141 -0.807 1.00 0.00 H new ATOM 0 HD12 ILE A 145 7.277 -7.001 0.917 1.00 0.00 H new ATOM 0 HD13 ILE A 145 7.844 -8.400 -0.026 1.00 0.00 H new ATOM 945 N CYS A 146 5.172 -11.669 3.659 1.00 0.00 N ATOM 946 CA CYS A 146 5.200 -12.429 4.890 1.00 0.00 C ATOM 947 C CYS A 146 5.928 -11.700 6.042 1.00 0.00 C ATOM 948 O CYS A 146 6.281 -12.311 7.048 1.00 0.00 O ATOM 949 CB CYS A 146 5.898 -13.718 4.569 1.00 0.00 C ATOM 950 SG CYS A 146 7.533 -13.489 3.818 1.00 0.00 S ATOM 0 H CYS A 146 5.804 -12.035 2.947 1.00 0.00 H new ATOM 0 HA CYS A 146 4.181 -12.582 5.245 1.00 0.00 H new ATOM 0 HB2 CYS A 146 6.006 -14.301 5.484 1.00 0.00 H new ATOM 0 HB3 CYS A 146 5.274 -14.301 3.891 1.00 0.00 H new ATOM 0 HG CYS A 146 8.181 -12.565 4.463 1.00 0.00 H new ATOM 956 N GLU A 147 6.112 -10.420 5.900 1.00 0.00 N ATOM 957 CA GLU A 147 6.820 -9.645 6.867 1.00 0.00 C ATOM 958 C GLU A 147 5.819 -9.102 7.877 1.00 0.00 C ATOM 959 O GLU A 147 5.520 -9.793 8.870 1.00 0.00 O ATOM 960 CB GLU A 147 7.557 -8.493 6.174 1.00 0.00 C ATOM 961 CG GLU A 147 8.358 -8.902 4.935 1.00 0.00 C ATOM 962 CD GLU A 147 9.400 -9.963 5.200 1.00 0.00 C ATOM 963 OE1 GLU A 147 10.519 -9.616 5.642 1.00 0.00 O ATOM 964 OE2 GLU A 147 9.144 -11.163 4.918 1.00 0.00 O ATOM 965 OXT GLU A 147 5.278 -8.001 7.677 1.00 0.00 O ATOM 0 H GLU A 147 5.771 -9.884 5.102 1.00 0.00 H new ATOM 0 HA GLU A 147 7.557 -10.264 7.378 1.00 0.00 H new ATOM 0 HB2 GLU A 147 6.829 -7.735 5.886 1.00 0.00 H new ATOM 0 HB3 GLU A 147 8.234 -8.029 6.891 1.00 0.00 H new ATOM 0 HG2 GLU A 147 7.669 -9.266 4.173 1.00 0.00 H new ATOM 0 HG3 GLU A 147 8.849 -8.020 4.525 1.00 0.00 H new TER 972 GLU A 147 HETATM 973 N 2MR A1148 16.782 3.093 -3.027 1.00 0.00 N HETATM 974 CA 2MR A1148 16.613 3.302 -1.598 1.00 0.00 C HETATM 975 CB 2MR A1148 16.233 2.001 -0.909 1.00 0.00 C HETATM 976 CG 2MR A1148 15.978 2.118 0.584 1.00 0.00 C HETATM 977 CD 2MR A1148 14.627 2.738 0.857 1.00 0.00 C HETATM 978 NE 2MR A1148 13.544 1.883 0.344 1.00 0.00 N HETATM 979 CZ 2MR A1148 12.254 2.057 0.567 1.00 0.00 C HETATM 980 NH1 2MR A1148 11.880 3.125 1.343 1.00 0.00 N HETATM 981 CQ1 2MR A1148 10.566 3.597 1.781 1.00 0.00 C HETATM 982 NH2 2MR A1148 11.403 1.174 0.004 1.00 0.00 N HETATM 983 CQ2 2MR A1148 9.954 1.088 0.053 1.00 0.00 C HETATM 984 C 2MR A1148 17.901 3.817 -1.051 1.00 0.00 C HETATM 985 O 2MR A1148 17.929 4.907 -0.502 1.00 0.00 O HETATM 986 OXT 2MR A1148 18.919 3.134 -1.196 1.00 0.00 O HETATM 0 HQ23 2MR A1148 9.631 0.970 1.087 1.00 0.00 H new HETATM 0 HQ22 2MR A1148 9.521 1.999 -0.360 1.00 0.00 H new HETATM 0 HQ21 2MR A1148 9.620 0.230 -0.531 1.00 0.00 H new HETATM 0 HQ13 2MR A1148 9.956 3.834 0.910 1.00 0.00 H new HETATM 0 HQ12 2MR A1148 10.076 2.819 2.366 1.00 0.00 H new HETATM 0 HQ11 2MR A1148 10.686 4.490 2.394 1.00 0.00 H new HETATM 0 HH2 2MR A1148 11.853 0.444 -0.549 1.00 0.00 H new HETATM 0 HG3 2MR A1148 16.028 1.131 1.043 1.00 0.00 H new HETATM 0 HG2 2MR A1148 16.759 2.724 1.043 1.00 0.00 H new HETATM 0 HE 2MR A1148 13.813 1.087 -0.234 1.00 0.00 H new HETATM 0 HD3 2MR A1148 14.501 2.888 1.929 1.00 0.00 H new HETATM 0 HD2 2MR A1148 14.572 3.721 0.389 1.00 0.00 H new HETATM 0 HB3 2MR A1148 15.337 1.603 -1.386 1.00 0.00 H new HETATM 0 HB2 2MR A1148 17.030 1.275 -1.071 1.00 0.00 H new HETATM 0 HA 2MR A1148 15.812 4.019 -1.419 1.00 0.00 H new HETATM 0 H2 2MR A1148 17.039 3.875 -3.630 1.00 0.00 H new HETATM 0 H 2MR A1148 16.644 2.165 -3.426 1.00 0.00 H new