USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=20 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 DA2 HXT : A1148 DA2 OXT : A1148 DA2 C :(short bond) USER MOD Set 1.1: A 127 TYR OH : rot -154:sc= 1.29 USER MOD Set 1.2: A 136 GLN : amide:sc= -4.21! C(o=-2.9!,f=-12!) USER MOD Set 2.1: A 97 LYS NZ :NH3+ -121:sc= 1.56 (180deg=0.164) USER MOD Set 2.2: A 112 THR OG1 : rot 180:sc= -0.7 USER MOD Set 2.3: A 128 THR OG1 : rot 86:sc= 0.215 USER MOD Single : A 84 ASN : amide:sc= -0.0524 K(o=-0.052,f=0.6) USER MOD Single : A 85 THR OG1 : rot 50:sc= 0.043 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -1.54 K(o=-1.5,f=-13!) USER MOD Single : A 91 GLN : amide:sc= -0.347 X(o=-0.35,f=-0.2) USER MOD Single : A 93 LYS NZ :NH3+ 169:sc= 0.862 (180deg=0.495) USER MOD Single : A 98 CYS SG : rot -9:sc= 1.08 USER MOD Single : A 99 SER OG : rot 111:sc= 0.0506 USER MOD Single : A 103 SER OG : rot 112:sc= 1.2 USER MOD Single : A 107 CYS SG : rot 121:sc= 1.27 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= -0.614 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 168:sc= 0.869 USER MOD Single : A 123 CYS SG : rot -12:sc= -5.59! USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 ASN : amide:sc= 0.848 K(o=0.85,f=-3.4!) USER MOD Single : A 137 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 143 SER OG : rot 180:sc= -0.0239 USER MOD Single : A 146 CYS SG : rot 180:sc= 0.00738 USER MOD Single : A1148 DA2 NH2 :NH3+ -91:sc= -0.43 (180deg=-4.26!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 84 -6.400 3.671 10.184 1.00 0.00 N ATOM 2 CA ASN A 84 -6.543 4.267 11.501 1.00 0.00 C ATOM 3 C ASN A 84 -7.952 4.781 11.651 1.00 0.00 C ATOM 4 O ASN A 84 -8.559 5.229 10.669 1.00 0.00 O ATOM 5 CB ASN A 84 -5.530 5.422 11.718 1.00 0.00 C ATOM 6 CG ASN A 84 -5.726 6.628 10.794 1.00 0.00 C ATOM 7 OD1 ASN A 84 -6.157 6.503 9.646 1.00 0.00 O ATOM 8 ND2 ASN A 84 -5.412 7.794 11.285 1.00 0.00 N ATOM 0 HA ASN A 84 -6.336 3.506 12.253 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -5.600 5.759 12.752 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -4.521 5.034 11.577 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -5.521 8.633 10.716 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -5.058 7.867 12.239 1.00 0.00 H new ATOM 17 N THR A 85 -8.493 4.707 12.850 1.00 0.00 N ATOM 18 CA THR A 85 -9.820 5.198 13.103 1.00 0.00 C ATOM 19 C THR A 85 -9.816 6.719 13.178 1.00 0.00 C ATOM 20 O THR A 85 -9.590 7.310 14.243 1.00 0.00 O ATOM 21 CB THR A 85 -10.416 4.567 14.378 1.00 0.00 C ATOM 22 OG1 THR A 85 -9.401 4.508 15.410 1.00 0.00 O ATOM 23 CG2 THR A 85 -10.944 3.168 14.092 1.00 0.00 C ATOM 0 H THR A 85 -8.026 4.308 13.664 1.00 0.00 H new ATOM 0 HA THR A 85 -10.461 4.903 12.272 1.00 0.00 H new ATOM 0 HB THR A 85 -11.247 5.185 14.717 1.00 0.00 H new ATOM 0 HG1 THR A 85 -8.976 5.386 15.501 1.00 0.00 H new ATOM 0 HG21 THR A 85 -11.360 2.742 15.005 1.00 0.00 H new ATOM 0 HG22 THR A 85 -11.721 3.221 13.330 1.00 0.00 H new ATOM 0 HG23 THR A 85 -10.129 2.537 13.736 1.00 0.00 H new ATOM 31 N ALA A 86 -9.970 7.331 12.025 1.00 0.00 N ATOM 32 CA ALA A 86 -9.952 8.767 11.860 1.00 0.00 C ATOM 33 C ALA A 86 -10.382 9.102 10.457 1.00 0.00 C ATOM 34 O ALA A 86 -11.252 9.935 10.248 1.00 0.00 O ATOM 35 CB ALA A 86 -8.560 9.336 12.125 1.00 0.00 C ATOM 0 H ALA A 86 -10.116 6.828 11.150 1.00 0.00 H new ATOM 0 HA ALA A 86 -10.638 9.212 12.581 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -8.578 10.418 11.993 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -8.259 9.100 13.146 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.848 8.897 11.426 1.00 0.00 H new ATOM 41 N ALA A 87 -9.780 8.425 9.495 1.00 0.00 N ATOM 42 CA ALA A 87 -10.086 8.621 8.103 1.00 0.00 C ATOM 43 C ALA A 87 -9.770 7.357 7.346 1.00 0.00 C ATOM 44 O ALA A 87 -8.611 7.046 7.097 1.00 0.00 O ATOM 45 CB ALA A 87 -9.299 9.792 7.524 1.00 0.00 C ATOM 0 H ALA A 87 -9.062 7.721 9.667 1.00 0.00 H new ATOM 0 HA ALA A 87 -11.146 8.855 8.006 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -9.552 9.915 6.471 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -9.551 10.703 8.066 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -8.231 9.596 7.620 1.00 0.00 H new ATOM 51 N SER A 88 -10.779 6.616 7.036 1.00 0.00 N ATOM 52 CA SER A 88 -10.655 5.383 6.299 1.00 0.00 C ATOM 53 C SER A 88 -11.465 5.511 5.009 1.00 0.00 C ATOM 54 O SER A 88 -11.956 4.540 4.441 1.00 0.00 O ATOM 55 CB SER A 88 -11.161 4.245 7.168 1.00 0.00 C ATOM 56 OG SER A 88 -10.430 4.194 8.397 1.00 0.00 O ATOM 0 H SER A 88 -11.740 6.847 7.289 1.00 0.00 H new ATOM 0 HA SER A 88 -9.617 5.176 6.037 1.00 0.00 H new ATOM 0 HB2 SER A 88 -12.223 4.381 7.374 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.058 3.299 6.636 1.00 0.00 H new ATOM 0 HG SER A 88 -10.768 3.457 8.948 1.00 0.00 H new ATOM 62 N LEU A 89 -11.509 6.730 4.524 1.00 0.00 N ATOM 63 CA LEU A 89 -12.273 7.104 3.351 1.00 0.00 C ATOM 64 C LEU A 89 -11.432 7.054 2.066 1.00 0.00 C ATOM 65 O LEU A 89 -11.814 7.626 1.036 1.00 0.00 O ATOM 66 CB LEU A 89 -12.913 8.500 3.574 1.00 0.00 C ATOM 67 CG LEU A 89 -12.034 9.603 4.239 1.00 0.00 C ATOM 68 CD1 LEU A 89 -10.812 9.975 3.408 1.00 0.00 C ATOM 69 CD2 LEU A 89 -12.866 10.836 4.540 1.00 0.00 C ATOM 0 H LEU A 89 -11.003 7.510 4.943 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.069 6.372 3.210 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -13.246 8.875 2.606 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -13.804 8.366 4.187 1.00 0.00 H new ATOM 0 HG LEU A 89 -11.660 9.182 5.172 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -10.242 10.747 3.925 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.186 9.094 3.268 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.133 10.350 2.436 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.236 11.595 5.004 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.284 11.228 3.613 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -13.676 10.571 5.220 1.00 0.00 H new ATOM 81 N GLN A 90 -10.320 6.355 2.124 1.00 0.00 N ATOM 82 CA GLN A 90 -9.423 6.237 0.991 1.00 0.00 C ATOM 83 C GLN A 90 -10.049 5.372 -0.093 1.00 0.00 C ATOM 84 O GLN A 90 -10.692 4.348 0.208 1.00 0.00 O ATOM 85 CB GLN A 90 -8.069 5.621 1.391 1.00 0.00 C ATOM 86 CG GLN A 90 -7.220 6.402 2.399 1.00 0.00 C ATOM 87 CD GLN A 90 -7.783 6.410 3.800 1.00 0.00 C ATOM 88 OE1 GLN A 90 -8.458 5.477 4.211 1.00 0.00 O ATOM 89 NE2 GLN A 90 -7.521 7.444 4.537 1.00 0.00 N ATOM 0 H GLN A 90 -10.011 5.852 2.956 1.00 0.00 H new ATOM 0 HA GLN A 90 -9.251 7.246 0.617 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -8.256 4.629 1.803 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -7.478 5.484 0.485 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -6.218 5.974 2.424 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -7.119 7.431 2.053 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -6.955 8.206 4.164 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -7.881 7.496 5.490 1.00 0.00 H new ATOM 98 N GLN A 91 -9.887 5.782 -1.330 1.00 0.00 N ATOM 99 CA GLN A 91 -10.373 5.033 -2.455 1.00 0.00 C ATOM 100 C GLN A 91 -9.249 4.907 -3.470 1.00 0.00 C ATOM 101 O GLN A 91 -8.756 5.908 -4.008 1.00 0.00 O ATOM 102 CB GLN A 91 -11.594 5.707 -3.079 1.00 0.00 C ATOM 103 CG GLN A 91 -12.281 4.868 -4.147 1.00 0.00 C ATOM 104 CD GLN A 91 -12.739 3.529 -3.601 1.00 0.00 C ATOM 105 OE1 GLN A 91 -13.840 3.411 -3.079 1.00 0.00 O ATOM 106 NE2 GLN A 91 -11.936 2.502 -3.768 1.00 0.00 N ATOM 0 H GLN A 91 -9.412 6.649 -1.580 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.687 4.043 -2.125 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -12.313 5.936 -2.292 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -11.288 6.657 -3.518 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -13.139 5.413 -4.541 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -11.596 4.706 -4.979 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -11.025 2.633 -4.207 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -12.224 1.574 -3.459 1.00 0.00 H new ATOM 115 N TRP A 92 -8.834 3.702 -3.710 1.00 0.00 N ATOM 116 CA TRP A 92 -7.705 3.441 -4.571 1.00 0.00 C ATOM 117 C TRP A 92 -8.103 2.578 -5.739 1.00 0.00 C ATOM 118 O TRP A 92 -9.173 1.954 -5.714 1.00 0.00 O ATOM 119 CB TRP A 92 -6.646 2.712 -3.780 1.00 0.00 C ATOM 120 CG TRP A 92 -6.139 3.463 -2.601 1.00 0.00 C ATOM 121 CD1 TRP A 92 -6.605 3.398 -1.330 1.00 0.00 C ATOM 122 CD2 TRP A 92 -5.055 4.379 -2.586 1.00 0.00 C ATOM 123 NE1 TRP A 92 -5.880 4.223 -0.525 1.00 0.00 N ATOM 124 CE2 TRP A 92 -4.918 4.838 -1.270 1.00 0.00 C ATOM 125 CE3 TRP A 92 -4.186 4.851 -3.559 1.00 0.00 C ATOM 126 CZ2 TRP A 92 -3.944 5.751 -0.901 1.00 0.00 C ATOM 127 CZ3 TRP A 92 -3.220 5.747 -3.197 1.00 0.00 C ATOM 128 CH2 TRP A 92 -3.105 6.188 -1.877 1.00 0.00 C ATOM 0 H TRP A 92 -9.264 2.865 -3.317 1.00 0.00 H new ATOM 0 HA TRP A 92 -7.330 4.393 -4.946 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -7.053 1.759 -3.442 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -5.808 2.485 -4.439 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -7.430 2.782 -1.004 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -6.032 4.359 0.474 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -4.271 4.517 -4.582 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -3.855 6.100 0.117 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -2.535 6.120 -3.944 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -2.329 6.895 -1.625 1.00 0.00 H new ATOM 139 N LYS A 93 -7.275 2.572 -6.764 1.00 0.00 N ATOM 140 CA LYS A 93 -7.447 1.685 -7.892 1.00 0.00 C ATOM 141 C LYS A 93 -6.101 1.022 -8.165 1.00 0.00 C ATOM 142 O LYS A 93 -5.064 1.497 -7.675 1.00 0.00 O ATOM 143 CB LYS A 93 -7.945 2.451 -9.125 1.00 0.00 C ATOM 144 CG LYS A 93 -6.887 3.291 -9.823 1.00 0.00 C ATOM 145 CD LYS A 93 -7.498 4.304 -10.770 1.00 0.00 C ATOM 146 CE LYS A 93 -8.221 5.398 -10.001 1.00 0.00 C ATOM 147 NZ LYS A 93 -7.301 6.123 -9.092 1.00 0.00 N ATOM 0 H LYS A 93 -6.463 3.184 -6.836 1.00 0.00 H new ATOM 0 HA LYS A 93 -8.201 0.930 -7.667 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.351 1.736 -9.840 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -8.766 3.102 -8.824 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -6.286 3.810 -9.076 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.213 2.638 -10.377 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -6.718 4.745 -11.390 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -8.196 3.805 -11.442 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -8.670 6.101 -10.702 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -9.035 4.961 -9.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -7.774 6.973 -8.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -7.037 5.504 -8.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -6.445 6.401 -9.614 1.00 0.00 H new ATOM 161 N VAL A 94 -6.109 -0.070 -8.883 1.00 0.00 N ATOM 162 CA VAL A 94 -4.882 -0.747 -9.248 1.00 0.00 C ATOM 163 C VAL A 94 -4.061 0.176 -10.143 1.00 0.00 C ATOM 164 O VAL A 94 -4.580 0.716 -11.118 1.00 0.00 O ATOM 165 CB VAL A 94 -5.173 -2.083 -9.982 1.00 0.00 C ATOM 166 CG1 VAL A 94 -3.885 -2.774 -10.389 1.00 0.00 C ATOM 167 CG2 VAL A 94 -6.007 -3.004 -9.105 1.00 0.00 C ATOM 0 H VAL A 94 -6.957 -0.517 -9.232 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.325 -0.985 -8.342 1.00 0.00 H new ATOM 0 HB VAL A 94 -5.737 -1.852 -10.885 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.119 -3.707 -10.901 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.320 -2.125 -11.058 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.290 -2.987 -9.501 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.201 -3.936 -9.637 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.465 -3.218 -8.184 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.953 -2.519 -8.865 1.00 0.00 H new ATOM 177 N GLY A 95 -2.813 0.380 -9.799 1.00 0.00 N ATOM 178 CA GLY A 95 -1.986 1.267 -10.576 1.00 0.00 C ATOM 179 C GLY A 95 -1.871 2.645 -9.964 1.00 0.00 C ATOM 180 O GLY A 95 -1.479 3.600 -10.637 1.00 0.00 O ATOM 0 H GLY A 95 -2.353 -0.050 -8.997 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -0.991 0.834 -10.676 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -2.398 1.354 -11.581 1.00 0.00 H new ATOM 184 N ASP A 96 -2.248 2.769 -8.709 1.00 0.00 N ATOM 185 CA ASP A 96 -2.074 4.027 -7.987 1.00 0.00 C ATOM 186 C ASP A 96 -0.904 3.886 -7.109 1.00 0.00 C ATOM 187 O ASP A 96 -0.612 2.799 -6.589 1.00 0.00 O ATOM 188 CB ASP A 96 -3.285 4.451 -7.109 1.00 0.00 C ATOM 189 CG ASP A 96 -4.514 4.965 -7.835 1.00 0.00 C ATOM 190 OD1 ASP A 96 -4.385 5.594 -8.896 1.00 0.00 O ATOM 191 OD2 ASP A 96 -5.652 4.809 -7.304 1.00 0.00 O ATOM 0 H ASP A 96 -2.676 2.021 -8.163 1.00 0.00 H new ATOM 0 HA ASP A 96 -1.959 4.803 -8.744 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -3.582 3.594 -6.505 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -2.949 5.226 -6.420 1.00 0.00 H new ATOM 196 N LYS A 97 -0.230 4.951 -6.967 1.00 0.00 N ATOM 197 CA LYS A 97 0.909 5.043 -6.150 1.00 0.00 C ATOM 198 C LYS A 97 0.467 5.396 -4.778 1.00 0.00 C ATOM 199 O LYS A 97 -0.446 6.205 -4.608 1.00 0.00 O ATOM 200 CB LYS A 97 1.754 6.136 -6.693 1.00 0.00 C ATOM 201 CG LYS A 97 2.227 5.872 -8.109 1.00 0.00 C ATOM 202 CD LYS A 97 3.444 4.948 -8.177 1.00 0.00 C ATOM 203 CE LYS A 97 4.530 5.336 -7.173 1.00 0.00 C ATOM 204 NZ LYS A 97 5.736 4.496 -7.303 1.00 0.00 N ATOM 0 H LYS A 97 -0.466 5.825 -7.438 1.00 0.00 H new ATOM 0 HA LYS A 97 1.465 4.106 -6.126 1.00 0.00 H new ATOM 0 HB2 LYS A 97 1.190 7.068 -6.672 1.00 0.00 H new ATOM 0 HB3 LYS A 97 2.620 6.273 -6.046 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.411 5.430 -8.681 1.00 0.00 H new ATOM 0 HG3 LYS A 97 2.473 6.821 -8.586 1.00 0.00 H new ATOM 0 HD2 LYS A 97 3.128 3.922 -7.988 1.00 0.00 H new ATOM 0 HD3 LYS A 97 3.859 4.973 -9.184 1.00 0.00 H new ATOM 0 HE2 LYS A 97 4.800 6.382 -7.319 1.00 0.00 H new ATOM 0 HE3 LYS A 97 4.135 5.247 -6.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 5.919 4.010 -6.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 5.589 3.791 -8.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 6.551 5.094 -7.546 1.00 0.00 H new ATOM 218 N CYS A 98 1.094 4.827 -3.832 1.00 0.00 N ATOM 219 CA CYS A 98 0.762 5.049 -2.459 1.00 0.00 C ATOM 220 C CYS A 98 1.992 4.818 -1.610 1.00 0.00 C ATOM 221 O CYS A 98 3.106 4.672 -2.132 1.00 0.00 O ATOM 222 CB CYS A 98 -0.377 4.091 -2.050 1.00 0.00 C ATOM 223 SG CYS A 98 -0.002 2.350 -2.284 1.00 0.00 S ATOM 0 H CYS A 98 1.869 4.179 -3.975 1.00 0.00 H new ATOM 0 HA CYS A 98 0.422 6.074 -2.311 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -0.619 4.260 -1.001 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -1.268 4.339 -2.626 1.00 0.00 H new ATOM 0 HG CYS A 98 1.111 2.231 -2.946 1.00 0.00 H new ATOM 229 N SER A 99 1.806 4.816 -0.349 1.00 0.00 N ATOM 230 CA SER A 99 2.832 4.489 0.562 1.00 0.00 C ATOM 231 C SER A 99 2.236 3.495 1.516 1.00 0.00 C ATOM 232 O SER A 99 1.041 3.595 1.862 1.00 0.00 O ATOM 233 CB SER A 99 3.309 5.705 1.316 1.00 0.00 C ATOM 234 OG SER A 99 3.525 6.808 0.438 1.00 0.00 O ATOM 0 H SER A 99 0.915 5.047 0.091 1.00 0.00 H new ATOM 0 HA SER A 99 3.698 4.086 0.037 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.573 5.978 2.072 1.00 0.00 H new ATOM 0 HB3 SER A 99 4.234 5.470 1.842 1.00 0.00 H new ATOM 0 HG SER A 99 2.850 7.498 0.608 1.00 0.00 H new ATOM 240 N ALA A 100 3.011 2.571 1.924 1.00 0.00 N ATOM 241 CA ALA A 100 2.541 1.500 2.739 1.00 0.00 C ATOM 242 C ALA A 100 3.498 1.252 3.875 1.00 0.00 C ATOM 243 O ALA A 100 4.650 1.714 3.832 1.00 0.00 O ATOM 244 CB ALA A 100 2.361 0.263 1.885 1.00 0.00 C ATOM 0 H ALA A 100 4.006 2.526 1.704 1.00 0.00 H new ATOM 0 HA ALA A 100 1.577 1.763 3.174 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.002 -0.558 2.505 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.636 0.467 1.097 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.316 -0.012 1.437 1.00 0.00 H new ATOM 250 N ILE A 101 3.025 0.586 4.898 1.00 0.00 N ATOM 251 CA ILE A 101 3.854 0.266 6.044 1.00 0.00 C ATOM 252 C ILE A 101 4.473 -1.094 5.829 1.00 0.00 C ATOM 253 O ILE A 101 3.754 -2.088 5.701 1.00 0.00 O ATOM 254 CB ILE A 101 3.036 0.246 7.387 1.00 0.00 C ATOM 255 CG1 ILE A 101 2.653 1.659 7.825 1.00 0.00 C ATOM 256 CG2 ILE A 101 3.806 -0.465 8.517 1.00 0.00 C ATOM 257 CD1 ILE A 101 3.835 2.472 8.323 1.00 0.00 C ATOM 0 H ILE A 101 2.064 0.251 4.965 1.00 0.00 H new ATOM 0 HA ILE A 101 4.616 1.040 6.132 1.00 0.00 H new ATOM 0 HB ILE A 101 2.124 -0.318 7.190 1.00 0.00 H new ATOM 0 HG12 ILE A 101 2.190 2.179 6.987 1.00 0.00 H new ATOM 0 HG13 ILE A 101 1.904 1.597 8.615 1.00 0.00 H new ATOM 0 HG21 ILE A 101 3.206 -0.457 9.427 1.00 0.00 H new ATOM 0 HG22 ILE A 101 4.010 -1.495 8.226 1.00 0.00 H new ATOM 0 HG23 ILE A 101 4.747 0.054 8.698 1.00 0.00 H new ATOM 0 HD11 ILE A 101 3.495 3.465 8.618 1.00 0.00 H new ATOM 0 HD12 ILE A 101 4.285 1.972 9.181 1.00 0.00 H new ATOM 0 HD13 ILE A 101 4.575 2.563 7.528 1.00 0.00 H new ATOM 269 N TRP A 102 5.788 -1.137 5.783 1.00 0.00 N ATOM 270 CA TRP A 102 6.498 -2.375 5.596 1.00 0.00 C ATOM 271 C TRP A 102 6.313 -3.247 6.806 1.00 0.00 C ATOM 272 O TRP A 102 6.618 -2.836 7.898 1.00 0.00 O ATOM 273 CB TRP A 102 7.985 -2.110 5.382 1.00 0.00 C ATOM 274 CG TRP A 102 8.743 -3.293 4.868 1.00 0.00 C ATOM 275 CD1 TRP A 102 8.240 -4.320 4.133 1.00 0.00 C ATOM 276 CD2 TRP A 102 10.139 -3.546 4.995 1.00 0.00 C ATOM 277 NE1 TRP A 102 9.215 -5.209 3.826 1.00 0.00 N ATOM 278 CE2 TRP A 102 10.401 -4.753 4.324 1.00 0.00 C ATOM 279 CE3 TRP A 102 11.195 -2.879 5.611 1.00 0.00 C ATOM 280 CZ2 TRP A 102 11.668 -5.300 4.252 1.00 0.00 C ATOM 281 CZ3 TRP A 102 12.455 -3.430 5.537 1.00 0.00 C ATOM 282 CH2 TRP A 102 12.679 -4.628 4.861 1.00 0.00 C ATOM 0 H TRP A 102 6.388 -0.317 5.874 1.00 0.00 H new ATOM 0 HA TRP A 102 6.101 -2.878 4.715 1.00 0.00 H new ATOM 0 HB2 TRP A 102 8.100 -1.284 4.680 1.00 0.00 H new ATOM 0 HB3 TRP A 102 8.427 -1.790 6.326 1.00 0.00 H new ATOM 0 HD1 TRP A 102 7.206 -4.414 3.835 1.00 0.00 H new ATOM 0 HE1 TRP A 102 9.084 -6.077 3.307 1.00 0.00 H new ATOM 0 HE3 TRP A 102 11.029 -1.950 6.136 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 11.848 -6.228 3.730 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 13.284 -2.925 6.011 1.00 0.00 H new ATOM 0 HH2 TRP A 102 13.680 -5.031 4.820 1.00 0.00 H new ATOM 293 N SER A 103 5.841 -4.440 6.606 1.00 0.00 N ATOM 294 CA SER A 103 5.626 -5.383 7.681 1.00 0.00 C ATOM 295 C SER A 103 6.889 -5.708 8.459 1.00 0.00 C ATOM 296 O SER A 103 6.835 -6.022 9.649 1.00 0.00 O ATOM 297 CB SER A 103 5.018 -6.657 7.134 1.00 0.00 C ATOM 298 OG SER A 103 3.608 -6.569 7.062 1.00 0.00 O ATOM 0 H SER A 103 5.589 -4.798 5.685 1.00 0.00 H new ATOM 0 HA SER A 103 4.941 -4.906 8.382 1.00 0.00 H new ATOM 0 HB2 SER A 103 5.422 -6.858 6.142 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.299 -7.497 7.769 1.00 0.00 H new ATOM 0 HG SER A 103 3.329 -6.548 6.123 1.00 0.00 H new ATOM 304 N GLU A 104 8.012 -5.580 7.820 1.00 0.00 N ATOM 305 CA GLU A 104 9.239 -5.989 8.429 1.00 0.00 C ATOM 306 C GLU A 104 9.820 -4.906 9.321 1.00 0.00 C ATOM 307 O GLU A 104 10.282 -5.189 10.430 1.00 0.00 O ATOM 308 CB GLU A 104 10.235 -6.373 7.373 1.00 0.00 C ATOM 309 CG GLU A 104 9.731 -7.419 6.405 1.00 0.00 C ATOM 310 CD GLU A 104 9.382 -8.727 7.056 1.00 0.00 C ATOM 311 OE1 GLU A 104 10.298 -9.446 7.502 1.00 0.00 O ATOM 312 OE2 GLU A 104 8.180 -9.065 7.141 1.00 0.00 O ATOM 0 H GLU A 104 8.103 -5.196 6.879 1.00 0.00 H new ATOM 0 HA GLU A 104 9.021 -6.852 9.058 1.00 0.00 H new ATOM 0 HB2 GLU A 104 10.518 -5.481 6.814 1.00 0.00 H new ATOM 0 HB3 GLU A 104 11.138 -6.746 7.857 1.00 0.00 H new ATOM 0 HG2 GLU A 104 8.850 -7.032 5.892 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.492 -7.594 5.644 1.00 0.00 H new ATOM 319 N ASP A 105 9.777 -3.663 8.875 1.00 0.00 N ATOM 320 CA ASP A 105 10.415 -2.606 9.672 1.00 0.00 C ATOM 321 C ASP A 105 9.380 -1.677 10.260 1.00 0.00 C ATOM 322 O ASP A 105 9.641 -0.946 11.204 1.00 0.00 O ATOM 323 CB ASP A 105 11.394 -1.818 8.818 1.00 0.00 C ATOM 324 CG ASP A 105 12.371 -1.012 9.636 1.00 0.00 C ATOM 325 OD1 ASP A 105 13.342 -1.600 10.164 1.00 0.00 O ATOM 326 OD2 ASP A 105 12.224 0.214 9.737 1.00 0.00 O ATOM 0 H ASP A 105 9.332 -3.360 8.009 1.00 0.00 H new ATOM 0 HA ASP A 105 10.958 -3.080 10.489 1.00 0.00 H new ATOM 0 HB2 ASP A 105 11.945 -2.507 8.178 1.00 0.00 H new ATOM 0 HB3 ASP A 105 10.838 -1.148 8.162 1.00 0.00 H new ATOM 331 N GLY A 106 8.193 -1.728 9.703 1.00 0.00 N ATOM 332 CA GLY A 106 7.091 -0.914 10.188 1.00 0.00 C ATOM 333 C GLY A 106 7.108 0.497 9.639 1.00 0.00 C ATOM 334 O GLY A 106 6.292 1.335 10.032 1.00 0.00 O ATOM 0 H GLY A 106 7.960 -2.326 8.910 1.00 0.00 H new ATOM 0 HA2 GLY A 106 6.149 -1.391 9.918 1.00 0.00 H new ATOM 0 HA3 GLY A 106 7.128 -0.874 11.277 1.00 0.00 H new ATOM 338 N CYS A 107 8.025 0.771 8.749 1.00 0.00 N ATOM 339 CA CYS A 107 8.170 2.101 8.218 1.00 0.00 C ATOM 340 C CYS A 107 7.375 2.317 6.936 1.00 0.00 C ATOM 341 O CYS A 107 6.983 1.350 6.271 1.00 0.00 O ATOM 342 CB CYS A 107 9.635 2.440 8.038 1.00 0.00 C ATOM 343 SG CYS A 107 10.552 2.576 9.583 1.00 0.00 S ATOM 0 H CYS A 107 8.685 0.089 8.375 1.00 0.00 H new ATOM 0 HA CYS A 107 7.744 2.790 8.948 1.00 0.00 H new ATOM 0 HB2 CYS A 107 10.101 1.674 7.417 1.00 0.00 H new ATOM 0 HB3 CYS A 107 9.715 3.382 7.496 1.00 0.00 H new ATOM 0 HG CYS A 107 11.528 1.717 9.586 1.00 0.00 H new ATOM 349 N ILE A 108 7.128 3.583 6.622 1.00 0.00 N ATOM 350 CA ILE A 108 6.442 3.991 5.402 1.00 0.00 C ATOM 351 C ILE A 108 7.391 3.892 4.236 1.00 0.00 C ATOM 352 O ILE A 108 8.506 4.416 4.291 1.00 0.00 O ATOM 353 CB ILE A 108 5.972 5.475 5.456 1.00 0.00 C ATOM 354 CG1 ILE A 108 5.009 5.727 6.595 1.00 0.00 C ATOM 355 CG2 ILE A 108 5.315 5.860 4.140 1.00 0.00 C ATOM 356 CD1 ILE A 108 3.646 5.122 6.388 1.00 0.00 C ATOM 0 H ILE A 108 7.402 4.366 7.216 1.00 0.00 H new ATOM 0 HA ILE A 108 5.578 3.334 5.296 1.00 0.00 H new ATOM 0 HB ILE A 108 6.856 6.089 5.626 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.437 5.328 7.514 1.00 0.00 H new ATOM 0 HG13 ILE A 108 4.901 6.803 6.735 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.989 6.899 4.186 1.00 0.00 H new ATOM 0 HG22 ILE A 108 6.031 5.740 3.327 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.453 5.217 3.962 1.00 0.00 H new ATOM 0 HD11 ILE A 108 3.014 5.346 7.247 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.196 5.539 5.487 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.740 4.042 6.279 1.00 0.00 H new ATOM 368 N TYR A 109 6.968 3.241 3.213 1.00 0.00 N ATOM 369 CA TYR A 109 7.726 3.158 1.998 1.00 0.00 C ATOM 370 C TYR A 109 6.805 3.321 0.817 1.00 0.00 C ATOM 371 O TYR A 109 5.621 2.951 0.899 1.00 0.00 O ATOM 372 CB TYR A 109 8.485 1.850 1.897 1.00 0.00 C ATOM 373 CG TYR A 109 9.606 1.700 2.890 1.00 0.00 C ATOM 374 CD1 TYR A 109 10.849 2.248 2.640 1.00 0.00 C ATOM 375 CD2 TYR A 109 9.424 0.985 4.058 1.00 0.00 C ATOM 376 CE1 TYR A 109 11.883 2.088 3.532 1.00 0.00 C ATOM 377 CE2 TYR A 109 10.447 0.812 4.950 1.00 0.00 C ATOM 378 CZ TYR A 109 11.677 1.364 4.685 1.00 0.00 C ATOM 379 OH TYR A 109 12.706 1.202 5.580 1.00 0.00 O ATOM 0 H TYR A 109 6.078 2.743 3.186 1.00 0.00 H new ATOM 0 HA TYR A 109 8.463 3.961 2.002 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.784 1.026 2.033 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.893 1.758 0.891 1.00 0.00 H new ATOM 0 HD1 TYR A 109 11.011 2.810 1.732 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.457 0.555 4.271 1.00 0.00 H new ATOM 0 HE1 TYR A 109 12.849 2.527 3.330 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.289 0.246 5.856 1.00 0.00 H new ATOM 0 HH TYR A 109 12.397 0.667 6.341 1.00 0.00 H new ATOM 389 N PRO A 110 7.305 3.910 -0.278 1.00 0.00 N ATOM 390 CA PRO A 110 6.523 4.105 -1.491 1.00 0.00 C ATOM 391 C PRO A 110 6.218 2.773 -2.160 1.00 0.00 C ATOM 392 O PRO A 110 7.117 1.958 -2.414 1.00 0.00 O ATOM 393 CB PRO A 110 7.435 4.960 -2.381 1.00 0.00 C ATOM 394 CG PRO A 110 8.812 4.682 -1.890 1.00 0.00 C ATOM 395 CD PRO A 110 8.683 4.431 -0.420 1.00 0.00 C ATOM 0 HA PRO A 110 5.558 4.574 -1.297 1.00 0.00 H new ATOM 0 HB2 PRO A 110 7.328 4.691 -3.432 1.00 0.00 H new ATOM 0 HB3 PRO A 110 7.191 6.019 -2.296 1.00 0.00 H new ATOM 0 HG2 PRO A 110 9.240 3.817 -2.397 1.00 0.00 H new ATOM 0 HG3 PRO A 110 9.474 5.526 -2.085 1.00 0.00 H new ATOM 0 HD2 PRO A 110 9.422 3.711 -0.069 1.00 0.00 H new ATOM 0 HD3 PRO A 110 8.828 5.344 0.157 1.00 0.00 H new ATOM 403 N ALA A 111 4.981 2.546 -2.435 1.00 0.00 N ATOM 404 CA ALA A 111 4.561 1.331 -3.034 1.00 0.00 C ATOM 405 C ALA A 111 3.439 1.598 -3.985 1.00 0.00 C ATOM 406 O ALA A 111 2.669 2.531 -3.802 1.00 0.00 O ATOM 407 CB ALA A 111 4.127 0.347 -1.974 1.00 0.00 C ATOM 0 H ALA A 111 4.226 3.206 -2.248 1.00 0.00 H new ATOM 0 HA ALA A 111 5.397 0.899 -3.584 1.00 0.00 H new ATOM 0 HB1 ALA A 111 3.807 -0.581 -2.448 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.962 0.143 -1.303 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.298 0.768 -1.404 1.00 0.00 H new ATOM 413 N THR A 112 3.334 0.814 -4.979 1.00 0.00 N ATOM 414 CA THR A 112 2.290 0.998 -5.923 1.00 0.00 C ATOM 415 C THR A 112 1.337 -0.174 -5.798 1.00 0.00 C ATOM 416 O THR A 112 1.762 -1.284 -5.487 1.00 0.00 O ATOM 417 CB THR A 112 2.879 1.063 -7.339 1.00 0.00 C ATOM 418 OG1 THR A 112 4.038 1.932 -7.322 1.00 0.00 O ATOM 419 CG2 THR A 112 1.857 1.630 -8.308 1.00 0.00 C ATOM 0 H THR A 112 3.958 0.030 -5.170 1.00 0.00 H new ATOM 0 HA THR A 112 1.758 1.931 -5.733 1.00 0.00 H new ATOM 0 HB THR A 112 3.156 0.058 -7.658 1.00 0.00 H new ATOM 0 HG1 THR A 112 4.424 1.980 -8.221 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.288 1.671 -9.308 1.00 0.00 H new ATOM 0 HG22 THR A 112 0.973 0.992 -8.319 1.00 0.00 H new ATOM 0 HG23 THR A 112 1.575 2.635 -7.993 1.00 0.00 H new ATOM 427 N ILE A 113 0.083 0.064 -6.033 1.00 0.00 N ATOM 428 CA ILE A 113 -0.924 -0.960 -5.910 1.00 0.00 C ATOM 429 C ILE A 113 -0.891 -1.878 -7.112 1.00 0.00 C ATOM 430 O ILE A 113 -1.041 -1.424 -8.254 1.00 0.00 O ATOM 431 CB ILE A 113 -2.312 -0.331 -5.788 1.00 0.00 C ATOM 432 CG1 ILE A 113 -2.319 0.661 -4.631 1.00 0.00 C ATOM 433 CG2 ILE A 113 -3.358 -1.413 -5.570 1.00 0.00 C ATOM 434 CD1 ILE A 113 -3.584 1.440 -4.510 1.00 0.00 C ATOM 0 H ILE A 113 -0.278 0.975 -6.317 1.00 0.00 H new ATOM 0 HA ILE A 113 -0.713 -1.539 -5.011 1.00 0.00 H new ATOM 0 HB ILE A 113 -2.553 0.198 -6.710 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -2.147 0.120 -3.701 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -1.487 1.355 -4.755 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -4.343 -0.955 -5.484 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -3.350 -2.102 -6.415 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -3.131 -1.959 -4.654 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -3.511 2.123 -3.664 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -3.749 2.010 -5.424 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -4.419 0.757 -4.353 1.00 0.00 H new ATOM 446 N ALA A 114 -0.690 -3.147 -6.866 1.00 0.00 N ATOM 447 CA ALA A 114 -0.630 -4.126 -7.923 1.00 0.00 C ATOM 448 C ALA A 114 -1.960 -4.850 -8.080 1.00 0.00 C ATOM 449 O ALA A 114 -2.302 -5.305 -9.175 1.00 0.00 O ATOM 450 CB ALA A 114 0.488 -5.112 -7.661 1.00 0.00 C ATOM 0 H ALA A 114 -0.563 -3.531 -5.930 1.00 0.00 H new ATOM 0 HA ALA A 114 -0.424 -3.604 -8.858 1.00 0.00 H new ATOM 0 HB1 ALA A 114 0.522 -5.846 -8.466 1.00 0.00 H new ATOM 0 HB2 ALA A 114 1.438 -4.580 -7.614 1.00 0.00 H new ATOM 0 HB3 ALA A 114 0.310 -5.621 -6.714 1.00 0.00 H new ATOM 456 N SER A 115 -2.707 -4.961 -6.998 1.00 0.00 N ATOM 457 CA SER A 115 -3.996 -5.619 -7.025 1.00 0.00 C ATOM 458 C SER A 115 -4.830 -5.209 -5.833 1.00 0.00 C ATOM 459 O SER A 115 -4.283 -4.952 -4.778 1.00 0.00 O ATOM 460 CB SER A 115 -3.795 -7.129 -7.044 1.00 0.00 C ATOM 461 OG SER A 115 -2.827 -7.537 -6.077 1.00 0.00 O ATOM 0 H SER A 115 -2.439 -4.600 -6.083 1.00 0.00 H new ATOM 0 HA SER A 115 -4.530 -5.318 -7.926 1.00 0.00 H new ATOM 0 HB2 SER A 115 -4.744 -7.627 -6.844 1.00 0.00 H new ATOM 0 HB3 SER A 115 -3.474 -7.443 -8.037 1.00 0.00 H new ATOM 0 HG SER A 115 -2.721 -8.511 -6.111 1.00 0.00 H new ATOM 467 N ILE A 116 -6.135 -5.100 -6.014 1.00 0.00 N ATOM 468 CA ILE A 116 -7.043 -4.759 -4.939 1.00 0.00 C ATOM 469 C ILE A 116 -8.132 -5.813 -4.797 1.00 0.00 C ATOM 470 O ILE A 116 -8.680 -6.300 -5.798 1.00 0.00 O ATOM 471 CB ILE A 116 -7.722 -3.393 -5.202 1.00 0.00 C ATOM 472 CG1 ILE A 116 -6.697 -2.270 -5.230 1.00 0.00 C ATOM 473 CG2 ILE A 116 -8.816 -3.109 -4.176 1.00 0.00 C ATOM 474 CD1 ILE A 116 -7.269 -0.965 -5.646 1.00 0.00 C ATOM 0 H ILE A 116 -6.593 -5.246 -6.914 1.00 0.00 H new ATOM 0 HA ILE A 116 -6.454 -4.708 -4.023 1.00 0.00 H new ATOM 0 HB ILE A 116 -8.194 -3.443 -6.183 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -6.255 -2.166 -4.239 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -5.891 -2.540 -5.912 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -9.273 -2.142 -4.389 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -9.576 -3.889 -4.229 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -8.382 -3.093 -3.176 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -6.485 -0.207 -5.645 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -7.686 -1.054 -6.649 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -8.056 -0.674 -4.950 1.00 0.00 H new ATOM 486 N ASP A 117 -8.395 -6.193 -3.579 1.00 0.00 N ATOM 487 CA ASP A 117 -9.518 -7.042 -3.247 1.00 0.00 C ATOM 488 C ASP A 117 -10.468 -6.197 -2.434 1.00 0.00 C ATOM 489 O ASP A 117 -10.223 -5.945 -1.245 1.00 0.00 O ATOM 490 CB ASP A 117 -9.087 -8.250 -2.428 1.00 0.00 C ATOM 491 CG ASP A 117 -10.162 -9.314 -2.322 1.00 0.00 C ATOM 492 OD1 ASP A 117 -11.166 -9.130 -1.617 1.00 0.00 O ATOM 493 OD2 ASP A 117 -9.990 -10.384 -2.936 1.00 0.00 O ATOM 0 H ASP A 117 -7.831 -5.921 -2.773 1.00 0.00 H new ATOM 0 HA ASP A 117 -9.980 -7.422 -4.158 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -8.196 -8.687 -2.878 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.810 -7.922 -1.426 1.00 0.00 H new ATOM 498 N PHE A 118 -11.517 -5.727 -3.055 1.00 0.00 N ATOM 499 CA PHE A 118 -12.455 -4.829 -2.399 1.00 0.00 C ATOM 500 C PHE A 118 -13.216 -5.541 -1.295 1.00 0.00 C ATOM 501 O PHE A 118 -13.664 -4.913 -0.332 1.00 0.00 O ATOM 502 CB PHE A 118 -13.433 -4.221 -3.406 1.00 0.00 C ATOM 503 CG PHE A 118 -12.788 -3.346 -4.452 1.00 0.00 C ATOM 504 CD1 PHE A 118 -12.329 -2.077 -4.125 1.00 0.00 C ATOM 505 CD2 PHE A 118 -12.660 -3.782 -5.764 1.00 0.00 C ATOM 506 CE1 PHE A 118 -11.753 -1.261 -5.082 1.00 0.00 C ATOM 507 CE2 PHE A 118 -12.080 -2.971 -6.725 1.00 0.00 C ATOM 508 CZ PHE A 118 -11.627 -1.710 -6.382 1.00 0.00 C ATOM 0 H PHE A 118 -11.752 -5.948 -4.023 1.00 0.00 H new ATOM 0 HA PHE A 118 -11.874 -4.022 -1.952 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -13.969 -5.028 -3.905 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -14.174 -3.633 -2.865 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -12.423 -1.722 -3.109 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -13.017 -4.764 -6.038 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -11.403 -0.275 -4.813 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -11.981 -3.323 -7.741 1.00 0.00 H new ATOM 0 HZ PHE A 118 -11.175 -1.076 -7.131 1.00 0.00 H new ATOM 518 N LYS A 119 -13.325 -6.849 -1.421 1.00 0.00 N ATOM 519 CA LYS A 119 -14.040 -7.651 -0.453 1.00 0.00 C ATOM 520 C LYS A 119 -13.254 -7.785 0.842 1.00 0.00 C ATOM 521 O LYS A 119 -13.834 -7.788 1.925 1.00 0.00 O ATOM 522 CB LYS A 119 -14.380 -9.010 -1.035 1.00 0.00 C ATOM 523 CG LYS A 119 -15.241 -8.937 -2.283 1.00 0.00 C ATOM 524 CD LYS A 119 -16.598 -8.326 -1.996 1.00 0.00 C ATOM 525 CE LYS A 119 -17.426 -8.195 -3.258 1.00 0.00 C ATOM 526 NZ LYS A 119 -18.743 -7.595 -2.977 1.00 0.00 N ATOM 0 H LYS A 119 -12.923 -7.381 -2.193 1.00 0.00 H new ATOM 0 HA LYS A 119 -14.974 -7.142 -0.214 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -13.455 -9.537 -1.272 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -14.899 -9.600 -0.280 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -14.730 -8.346 -3.043 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -15.373 -9.938 -2.693 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -17.131 -8.943 -1.273 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -16.467 -7.344 -1.542 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -16.892 -7.581 -3.983 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -17.561 -9.178 -3.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -19.286 -7.519 -3.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -19.261 -8.195 -2.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -18.613 -6.648 -2.568 1.00 0.00 H new ATOM 540 N ARG A 120 -11.938 -7.896 0.740 1.00 0.00 N ATOM 541 CA ARG A 120 -11.109 -7.935 1.950 1.00 0.00 C ATOM 542 C ARG A 120 -10.767 -6.526 2.384 1.00 0.00 C ATOM 543 O ARG A 120 -10.230 -6.320 3.471 1.00 0.00 O ATOM 544 CB ARG A 120 -9.768 -8.607 1.695 1.00 0.00 C ATOM 545 CG ARG A 120 -9.770 -10.043 1.273 1.00 0.00 C ATOM 546 CD ARG A 120 -8.339 -10.488 1.053 1.00 0.00 C ATOM 547 NE ARG A 120 -8.240 -11.871 0.623 1.00 0.00 N ATOM 548 CZ ARG A 120 -7.092 -12.550 0.507 1.00 0.00 C ATOM 549 NH1 ARG A 120 -5.909 -11.935 0.704 1.00 0.00 N ATOM 550 NH2 ARG A 120 -7.125 -13.828 0.162 1.00 0.00 N ATOM 0 H ARG A 120 -11.426 -7.960 -0.140 1.00 0.00 H new ATOM 0 HA ARG A 120 -11.684 -8.482 2.698 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -9.248 -8.034 0.927 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -9.176 -8.528 2.607 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -10.244 -10.660 2.036 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -10.349 -10.167 0.358 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -7.874 -9.846 0.305 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -7.777 -10.359 1.978 1.00 0.00 H new ATOM 0 HE ARG A 120 -9.105 -12.359 0.393 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -5.883 -10.944 0.944 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -5.040 -12.461 0.613 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -8.019 -14.286 -0.013 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -6.256 -14.354 0.071 1.00 0.00 H new ATOM 564 N GLU A 121 -11.101 -5.560 1.521 1.00 0.00 N ATOM 565 CA GLU A 121 -10.758 -4.149 1.692 1.00 0.00 C ATOM 566 C GLU A 121 -9.213 -4.002 1.743 1.00 0.00 C ATOM 567 O GLU A 121 -8.649 -3.058 2.319 1.00 0.00 O ATOM 568 CB GLU A 121 -11.467 -3.558 2.938 1.00 0.00 C ATOM 569 CG GLU A 121 -11.338 -2.044 3.078 1.00 0.00 C ATOM 570 CD GLU A 121 -12.194 -1.466 4.174 1.00 0.00 C ATOM 571 OE1 GLU A 121 -11.792 -1.505 5.353 1.00 0.00 O ATOM 572 OE2 GLU A 121 -13.285 -0.938 3.869 1.00 0.00 O ATOM 0 H GLU A 121 -11.628 -5.744 0.667 1.00 0.00 H new ATOM 0 HA GLU A 121 -11.117 -3.570 0.841 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -12.525 -3.818 2.896 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -11.058 -4.029 3.832 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -10.295 -1.793 3.272 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -11.608 -1.575 2.132 1.00 0.00 H new ATOM 579 N THR A 122 -8.535 -4.910 1.073 1.00 0.00 N ATOM 580 CA THR A 122 -7.105 -4.927 1.069 1.00 0.00 C ATOM 581 C THR A 122 -6.569 -4.927 -0.350 1.00 0.00 C ATOM 582 O THR A 122 -7.292 -5.218 -1.301 1.00 0.00 O ATOM 583 CB THR A 122 -6.539 -6.145 1.831 1.00 0.00 C ATOM 584 OG1 THR A 122 -6.998 -7.362 1.229 1.00 0.00 O ATOM 585 CG2 THR A 122 -6.937 -6.123 3.299 1.00 0.00 C ATOM 0 H THR A 122 -8.967 -5.651 0.521 1.00 0.00 H new ATOM 0 HA THR A 122 -6.779 -4.022 1.581 1.00 0.00 H new ATOM 0 HB THR A 122 -5.452 -6.092 1.772 1.00 0.00 H new ATOM 0 HG1 THR A 122 -6.486 -8.117 1.586 1.00 0.00 H new ATOM 0 HG21 THR A 122 -6.520 -6.996 3.802 1.00 0.00 H new ATOM 0 HG22 THR A 122 -6.553 -5.217 3.767 1.00 0.00 H new ATOM 0 HG23 THR A 122 -8.024 -6.141 3.382 1.00 0.00 H new ATOM 593 N CYS A 123 -5.333 -4.591 -0.489 1.00 0.00 N ATOM 594 CA CYS A 123 -4.686 -4.545 -1.750 1.00 0.00 C ATOM 595 C CYS A 123 -3.230 -4.889 -1.601 1.00 0.00 C ATOM 596 O CYS A 123 -2.646 -4.656 -0.558 1.00 0.00 O ATOM 597 CB CYS A 123 -4.857 -3.167 -2.338 1.00 0.00 C ATOM 598 SG CYS A 123 -4.420 -1.852 -1.197 1.00 0.00 S ATOM 0 H CYS A 123 -4.731 -4.334 0.293 1.00 0.00 H new ATOM 0 HA CYS A 123 -5.134 -5.278 -2.422 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -4.241 -3.082 -3.233 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -5.893 -3.038 -2.651 1.00 0.00 H new ATOM 0 HG CYS A 123 -4.280 -2.343 -0.002 1.00 0.00 H new ATOM 604 N VAL A 124 -2.655 -5.421 -2.629 1.00 0.00 N ATOM 605 CA VAL A 124 -1.274 -5.779 -2.616 1.00 0.00 C ATOM 606 C VAL A 124 -0.507 -4.645 -3.216 1.00 0.00 C ATOM 607 O VAL A 124 -0.862 -4.139 -4.298 1.00 0.00 O ATOM 608 CB VAL A 124 -1.003 -7.084 -3.418 1.00 0.00 C ATOM 609 CG1 VAL A 124 0.483 -7.438 -3.428 1.00 0.00 C ATOM 610 CG2 VAL A 124 -1.802 -8.229 -2.841 1.00 0.00 C ATOM 0 H VAL A 124 -3.133 -5.621 -3.508 1.00 0.00 H new ATOM 0 HA VAL A 124 -0.963 -5.968 -1.589 1.00 0.00 H new ATOM 0 HB VAL A 124 -1.315 -6.910 -4.448 1.00 0.00 H new ATOM 0 HG11 VAL A 124 0.635 -8.355 -3.997 1.00 0.00 H new ATOM 0 HG12 VAL A 124 1.047 -6.627 -3.889 1.00 0.00 H new ATOM 0 HG13 VAL A 124 0.829 -7.585 -2.405 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -1.603 -9.136 -3.412 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -1.516 -8.385 -1.801 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -2.865 -7.994 -2.893 1.00 0.00 H new ATOM 620 N VAL A 125 0.518 -4.241 -2.541 1.00 0.00 N ATOM 621 CA VAL A 125 1.314 -3.159 -2.982 1.00 0.00 C ATOM 622 C VAL A 125 2.718 -3.651 -3.226 1.00 0.00 C ATOM 623 O VAL A 125 3.199 -4.579 -2.557 1.00 0.00 O ATOM 624 CB VAL A 125 1.350 -2.011 -1.921 1.00 0.00 C ATOM 625 CG1 VAL A 125 -0.043 -1.444 -1.671 1.00 0.00 C ATOM 626 CG2 VAL A 125 1.980 -2.486 -0.603 1.00 0.00 C ATOM 0 H VAL A 125 0.824 -4.660 -1.662 1.00 0.00 H new ATOM 0 HA VAL A 125 0.880 -2.763 -3.900 1.00 0.00 H new ATOM 0 HB VAL A 125 1.974 -1.215 -2.328 1.00 0.00 H new ATOM 0 HG11 VAL A 125 0.016 -0.648 -0.929 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -0.445 -1.043 -2.602 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -0.697 -2.235 -1.304 1.00 0.00 H new ATOM 0 HG21 VAL A 125 1.990 -1.664 0.113 1.00 0.00 H new ATOM 0 HG22 VAL A 125 1.397 -3.313 -0.198 1.00 0.00 H new ATOM 0 HG23 VAL A 125 3.002 -2.819 -0.787 1.00 0.00 H new ATOM 636 N VAL A 126 3.338 -3.081 -4.203 1.00 0.00 N ATOM 637 CA VAL A 126 4.682 -3.398 -4.538 1.00 0.00 C ATOM 638 C VAL A 126 5.536 -2.220 -4.197 1.00 0.00 C ATOM 639 O VAL A 126 5.341 -1.130 -4.747 1.00 0.00 O ATOM 640 CB VAL A 126 4.856 -3.725 -6.040 1.00 0.00 C ATOM 641 CG1 VAL A 126 6.325 -3.997 -6.356 1.00 0.00 C ATOM 642 CG2 VAL A 126 4.001 -4.919 -6.433 1.00 0.00 C ATOM 0 H VAL A 126 2.917 -2.370 -4.801 1.00 0.00 H new ATOM 0 HA VAL A 126 4.973 -4.285 -3.976 1.00 0.00 H new ATOM 0 HB VAL A 126 4.527 -2.863 -6.620 1.00 0.00 H new ATOM 0 HG11 VAL A 126 6.433 -4.226 -7.416 1.00 0.00 H new ATOM 0 HG12 VAL A 126 6.919 -3.116 -6.113 1.00 0.00 H new ATOM 0 HG13 VAL A 126 6.674 -4.844 -5.765 1.00 0.00 H new ATOM 0 HG21 VAL A 126 4.138 -5.132 -7.493 1.00 0.00 H new ATOM 0 HG22 VAL A 126 4.299 -5.788 -5.847 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.952 -4.694 -6.241 1.00 0.00 H new ATOM 652 N TYR A 127 6.454 -2.421 -3.305 1.00 0.00 N ATOM 653 CA TYR A 127 7.345 -1.382 -2.867 1.00 0.00 C ATOM 654 C TYR A 127 8.285 -0.995 -3.969 1.00 0.00 C ATOM 655 O TYR A 127 9.071 -1.828 -4.477 1.00 0.00 O ATOM 656 CB TYR A 127 8.101 -1.809 -1.638 1.00 0.00 C ATOM 657 CG TYR A 127 7.208 -2.030 -0.462 1.00 0.00 C ATOM 658 CD1 TYR A 127 6.769 -0.956 0.283 1.00 0.00 C ATOM 659 CD2 TYR A 127 6.798 -3.304 -0.092 1.00 0.00 C ATOM 660 CE1 TYR A 127 5.951 -1.130 1.355 1.00 0.00 C ATOM 661 CE2 TYR A 127 5.980 -3.492 0.982 1.00 0.00 C ATOM 662 CZ TYR A 127 5.556 -2.391 1.708 1.00 0.00 C ATOM 663 OH TYR A 127 4.715 -2.541 2.769 1.00 0.00 O ATOM 0 H TYR A 127 6.612 -3.321 -2.852 1.00 0.00 H new ATOM 0 HA TYR A 127 6.750 -0.507 -2.606 1.00 0.00 H new ATOM 0 HB2 TYR A 127 8.647 -2.728 -1.853 1.00 0.00 H new ATOM 0 HB3 TYR A 127 8.842 -1.049 -1.389 1.00 0.00 H new ATOM 0 HD1 TYR A 127 7.081 0.041 0.010 1.00 0.00 H new ATOM 0 HD2 TYR A 127 7.132 -4.158 -0.663 1.00 0.00 H new ATOM 0 HE1 TYR A 127 5.615 -0.277 1.925 1.00 0.00 H new ATOM 0 HE2 TYR A 127 5.666 -4.486 1.263 1.00 0.00 H new ATOM 0 HH TYR A 127 4.841 -3.429 3.163 1.00 0.00 H new ATOM 673 N THR A 128 8.194 0.247 -4.341 1.00 0.00 N ATOM 674 CA THR A 128 8.939 0.800 -5.411 1.00 0.00 C ATOM 675 C THR A 128 10.437 0.760 -5.106 1.00 0.00 C ATOM 676 O THR A 128 10.881 1.145 -4.015 1.00 0.00 O ATOM 677 CB THR A 128 8.498 2.254 -5.630 1.00 0.00 C ATOM 678 OG1 THR A 128 7.060 2.308 -5.773 1.00 0.00 O ATOM 679 CG2 THR A 128 9.146 2.804 -6.870 1.00 0.00 C ATOM 0 H THR A 128 7.575 0.919 -3.886 1.00 0.00 H new ATOM 0 HA THR A 128 8.755 0.213 -6.310 1.00 0.00 H new ATOM 0 HB THR A 128 8.802 2.852 -4.771 1.00 0.00 H new ATOM 0 HG1 THR A 128 6.645 2.371 -4.887 1.00 0.00 H new ATOM 0 HG21 THR A 128 8.829 3.836 -7.019 1.00 0.00 H new ATOM 0 HG22 THR A 128 10.230 2.770 -6.760 1.00 0.00 H new ATOM 0 HG23 THR A 128 8.850 2.205 -7.731 1.00 0.00 H new ATOM 687 N GLY A 129 11.198 0.271 -6.055 1.00 0.00 N ATOM 688 CA GLY A 129 12.624 0.197 -5.907 1.00 0.00 C ATOM 689 C GLY A 129 13.066 -1.096 -5.269 1.00 0.00 C ATOM 690 O GLY A 129 14.234 -1.472 -5.358 1.00 0.00 O ATOM 0 H GLY A 129 10.846 -0.084 -6.944 1.00 0.00 H new ATOM 0 HA2 GLY A 129 13.094 0.296 -6.885 1.00 0.00 H new ATOM 0 HA3 GLY A 129 12.968 1.035 -5.301 1.00 0.00 H new ATOM 694 N TYR A 130 12.157 -1.780 -4.624 1.00 0.00 N ATOM 695 CA TYR A 130 12.499 -3.029 -3.964 1.00 0.00 C ATOM 696 C TYR A 130 11.924 -4.222 -4.691 1.00 0.00 C ATOM 697 O TYR A 130 12.556 -5.282 -4.761 1.00 0.00 O ATOM 698 CB TYR A 130 12.029 -3.027 -2.515 1.00 0.00 C ATOM 699 CG TYR A 130 12.569 -1.874 -1.725 1.00 0.00 C ATOM 700 CD1 TYR A 130 13.866 -1.886 -1.254 1.00 0.00 C ATOM 701 CD2 TYR A 130 11.779 -0.771 -1.450 1.00 0.00 C ATOM 702 CE1 TYR A 130 14.366 -0.830 -0.531 1.00 0.00 C ATOM 703 CE2 TYR A 130 12.265 0.287 -0.728 1.00 0.00 C ATOM 704 CZ TYR A 130 13.557 0.254 -0.270 1.00 0.00 C ATOM 705 OH TYR A 130 14.054 1.317 0.437 1.00 0.00 O ATOM 0 H TYR A 130 11.179 -1.503 -4.537 1.00 0.00 H new ATOM 0 HA TYR A 130 13.586 -3.112 -3.983 1.00 0.00 H new ATOM 0 HB2 TYR A 130 10.940 -2.997 -2.492 1.00 0.00 H new ATOM 0 HB3 TYR A 130 12.332 -3.960 -2.039 1.00 0.00 H new ATOM 0 HD1 TYR A 130 14.498 -2.738 -1.457 1.00 0.00 H new ATOM 0 HD2 TYR A 130 10.761 -0.744 -1.811 1.00 0.00 H new ATOM 0 HE1 TYR A 130 15.384 -0.850 -0.171 1.00 0.00 H new ATOM 0 HE2 TYR A 130 11.636 1.140 -0.521 1.00 0.00 H new ATOM 0 HH TYR A 130 13.357 1.999 0.534 1.00 0.00 H new ATOM 715 N GLY A 131 10.725 -4.068 -5.212 1.00 0.00 N ATOM 716 CA GLY A 131 10.086 -5.160 -5.916 1.00 0.00 C ATOM 717 C GLY A 131 9.396 -6.112 -4.961 1.00 0.00 C ATOM 718 O GLY A 131 9.025 -7.221 -5.331 1.00 0.00 O ATOM 0 H GLY A 131 10.178 -3.208 -5.163 1.00 0.00 H new ATOM 0 HA2 GLY A 131 9.358 -4.761 -6.623 1.00 0.00 H new ATOM 0 HA3 GLY A 131 10.830 -5.704 -6.498 1.00 0.00 H new ATOM 722 N ASN A 132 9.241 -5.678 -3.732 1.00 0.00 N ATOM 723 CA ASN A 132 8.565 -6.468 -2.713 1.00 0.00 C ATOM 724 C ASN A 132 7.099 -6.239 -2.792 1.00 0.00 C ATOM 725 O ASN A 132 6.667 -5.162 -3.173 1.00 0.00 O ATOM 726 CB ASN A 132 8.999 -6.089 -1.314 1.00 0.00 C ATOM 727 CG ASN A 132 10.313 -6.663 -0.846 1.00 0.00 C ATOM 728 OD1 ASN A 132 11.244 -6.921 -1.619 1.00 0.00 O ATOM 729 ND2 ASN A 132 10.396 -6.832 0.442 1.00 0.00 N ATOM 0 H ASN A 132 9.576 -4.772 -3.405 1.00 0.00 H new ATOM 0 HA ASN A 132 8.824 -7.510 -2.902 1.00 0.00 H new ATOM 0 HB2 ASN A 132 9.060 -5.002 -1.257 1.00 0.00 H new ATOM 0 HB3 ASN A 132 8.221 -6.402 -0.617 1.00 0.00 H new ATOM 0 HD21 ASN A 132 11.257 -7.192 0.855 1.00 0.00 H new ATOM 0 HD22 ASN A 132 9.600 -6.605 1.039 1.00 0.00 H new ATOM 736 N ARG A 133 6.338 -7.207 -2.395 1.00 0.00 N ATOM 737 CA ARG A 133 4.911 -7.092 -2.428 1.00 0.00 C ATOM 738 C ARG A 133 4.296 -7.616 -1.142 1.00 0.00 C ATOM 739 O ARG A 133 4.738 -8.636 -0.603 1.00 0.00 O ATOM 740 CB ARG A 133 4.337 -7.781 -3.702 1.00 0.00 C ATOM 741 CG ARG A 133 4.655 -9.276 -3.870 1.00 0.00 C ATOM 742 CD ARG A 133 3.752 -10.171 -3.033 1.00 0.00 C ATOM 743 NE ARG A 133 4.100 -11.585 -3.158 1.00 0.00 N ATOM 744 CZ ARG A 133 3.520 -12.575 -2.467 1.00 0.00 C ATOM 745 NH1 ARG A 133 2.571 -12.302 -1.577 1.00 0.00 N ATOM 746 NH2 ARG A 133 3.901 -13.829 -2.660 1.00 0.00 N ATOM 0 H ARG A 133 6.684 -8.098 -2.039 1.00 0.00 H new ATOM 0 HA ARG A 133 4.640 -6.038 -2.491 1.00 0.00 H new ATOM 0 HB2 ARG A 133 3.254 -7.660 -3.698 1.00 0.00 H new ATOM 0 HB3 ARG A 133 4.713 -7.251 -4.577 1.00 0.00 H new ATOM 0 HG2 ARG A 133 4.555 -9.548 -4.921 1.00 0.00 H new ATOM 0 HG3 ARG A 133 5.694 -9.455 -3.592 1.00 0.00 H new ATOM 0 HD2 ARG A 133 3.820 -9.874 -1.986 1.00 0.00 H new ATOM 0 HD3 ARG A 133 2.716 -10.026 -3.339 1.00 0.00 H new ATOM 0 HE ARG A 133 4.836 -11.836 -3.818 1.00 0.00 H new ATOM 0 HH11 ARG A 133 2.283 -11.336 -1.419 1.00 0.00 H new ATOM 0 HH12 ARG A 133 2.131 -13.058 -1.052 1.00 0.00 H new ATOM 0 HH21 ARG A 133 4.636 -14.041 -3.335 1.00 0.00 H new ATOM 0 HH22 ARG A 133 3.459 -14.583 -2.134 1.00 0.00 H new ATOM 760 N GLU A 134 3.334 -6.907 -0.634 1.00 0.00 N ATOM 761 CA GLU A 134 2.605 -7.321 0.540 1.00 0.00 C ATOM 762 C GLU A 134 1.224 -6.695 0.488 1.00 0.00 C ATOM 763 O GLU A 134 1.003 -5.759 -0.281 1.00 0.00 O ATOM 764 CB GLU A 134 3.321 -7.017 1.863 1.00 0.00 C ATOM 765 CG GLU A 134 3.145 -5.635 2.356 1.00 0.00 C ATOM 766 CD GLU A 134 3.647 -5.444 3.762 1.00 0.00 C ATOM 767 OE1 GLU A 134 2.947 -5.856 4.702 1.00 0.00 O ATOM 768 OE2 GLU A 134 4.743 -4.883 3.961 1.00 0.00 O ATOM 0 H GLU A 134 3.025 -6.016 -1.022 1.00 0.00 H new ATOM 0 HA GLU A 134 2.530 -8.408 0.523 1.00 0.00 H new ATOM 0 HB2 GLU A 134 2.959 -7.709 2.624 1.00 0.00 H new ATOM 0 HB3 GLU A 134 4.386 -7.211 1.737 1.00 0.00 H new ATOM 0 HG2 GLU A 134 3.670 -4.949 1.692 1.00 0.00 H new ATOM 0 HG3 GLU A 134 2.088 -5.372 2.315 1.00 0.00 H new ATOM 775 N GLU A 135 0.300 -7.263 1.196 1.00 0.00 N ATOM 776 CA GLU A 135 -1.063 -6.825 1.163 1.00 0.00 C ATOM 777 C GLU A 135 -1.380 -5.897 2.342 1.00 0.00 C ATOM 778 O GLU A 135 -1.124 -6.222 3.509 1.00 0.00 O ATOM 779 CB GLU A 135 -1.963 -8.022 1.188 1.00 0.00 C ATOM 780 CG GLU A 135 -3.343 -7.753 0.651 1.00 0.00 C ATOM 781 CD GLU A 135 -4.178 -8.996 0.513 1.00 0.00 C ATOM 782 OE1 GLU A 135 -3.952 -9.775 -0.431 1.00 0.00 O ATOM 783 OE2 GLU A 135 -5.103 -9.211 1.320 1.00 0.00 O ATOM 0 H GLU A 135 0.470 -8.052 1.820 1.00 0.00 H new ATOM 0 HA GLU A 135 -1.226 -6.258 0.246 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -1.506 -8.822 0.605 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -2.046 -8.382 2.214 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -3.853 -7.052 1.312 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -3.259 -7.270 -0.322 1.00 0.00 H new ATOM 790 N GLN A 136 -1.958 -4.784 2.019 1.00 0.00 N ATOM 791 CA GLN A 136 -2.321 -3.740 2.964 1.00 0.00 C ATOM 792 C GLN A 136 -3.762 -3.402 2.811 1.00 0.00 C ATOM 793 O GLN A 136 -4.360 -3.739 1.814 1.00 0.00 O ATOM 794 CB GLN A 136 -1.488 -2.454 2.789 1.00 0.00 C ATOM 795 CG GLN A 136 -0.230 -2.415 3.624 1.00 0.00 C ATOM 796 CD GLN A 136 0.942 -3.029 2.954 1.00 0.00 C ATOM 797 OE1 GLN A 136 0.806 -3.868 2.108 1.00 0.00 O ATOM 798 NE2 GLN A 136 2.103 -2.669 3.398 1.00 0.00 N ATOM 0 H GLN A 136 -2.206 -4.555 1.056 1.00 0.00 H new ATOM 0 HA GLN A 136 -2.116 -4.134 3.959 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -1.217 -2.350 1.738 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -2.108 -1.595 3.045 1.00 0.00 H new ATOM 0 HG2 GLN A 136 0.003 -1.379 3.869 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -0.412 -2.932 4.566 1.00 0.00 H new ATOM 0 HE21 GLN A 136 2.173 -1.951 4.119 1.00 0.00 H new ATOM 0 HE22 GLN A 136 2.948 -3.103 3.027 1.00 0.00 H new ATOM 807 N ASN A 137 -4.318 -2.741 3.777 1.00 0.00 N ATOM 808 CA ASN A 137 -5.708 -2.344 3.700 1.00 0.00 C ATOM 809 C ASN A 137 -5.798 -1.081 2.886 1.00 0.00 C ATOM 810 O ASN A 137 -4.903 -0.240 2.955 1.00 0.00 O ATOM 811 CB ASN A 137 -6.320 -2.099 5.090 1.00 0.00 C ATOM 812 CG ASN A 137 -6.147 -3.261 6.043 1.00 0.00 C ATOM 813 OD1 ASN A 137 -6.962 -4.178 6.091 1.00 0.00 O ATOM 814 ND2 ASN A 137 -5.090 -3.237 6.817 1.00 0.00 N ATOM 0 H ASN A 137 -3.839 -2.460 4.633 1.00 0.00 H new ATOM 0 HA ASN A 137 -6.270 -3.154 3.235 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -5.863 -1.211 5.527 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -7.383 -1.888 4.977 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -4.927 -3.993 7.482 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -4.430 -2.462 6.755 1.00 0.00 H new ATOM 821 N LEU A 138 -6.864 -0.941 2.136 1.00 0.00 N ATOM 822 CA LEU A 138 -7.104 0.244 1.288 1.00 0.00 C ATOM 823 C LEU A 138 -7.109 1.509 2.139 1.00 0.00 C ATOM 824 O LEU A 138 -6.628 2.554 1.737 1.00 0.00 O ATOM 825 CB LEU A 138 -8.455 0.102 0.579 1.00 0.00 C ATOM 826 CG LEU A 138 -8.587 -1.066 -0.392 1.00 0.00 C ATOM 827 CD1 LEU A 138 -10.033 -1.245 -0.797 1.00 0.00 C ATOM 828 CD2 LEU A 138 -7.736 -0.824 -1.617 1.00 0.00 C ATOM 0 H LEU A 138 -7.605 -1.640 2.083 1.00 0.00 H new ATOM 0 HA LEU A 138 -6.306 0.316 0.549 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -9.232 0.006 1.338 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -8.654 1.025 0.034 1.00 0.00 H new ATOM 0 HG LEU A 138 -8.243 -1.973 0.104 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -10.116 -2.082 -1.491 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -10.637 -1.446 0.088 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -10.391 -0.336 -1.281 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.838 -1.665 -2.303 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -8.063 0.090 -2.112 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -6.692 -0.723 -1.321 1.00 0.00 H new ATOM 840 N SER A 139 -7.634 1.379 3.319 1.00 0.00 N ATOM 841 CA SER A 139 -7.732 2.424 4.240 1.00 0.00 C ATOM 842 C SER A 139 -6.399 2.709 4.938 1.00 0.00 C ATOM 843 O SER A 139 -6.187 3.790 5.492 1.00 0.00 O ATOM 844 CB SER A 139 -8.735 1.974 5.221 1.00 0.00 C ATOM 845 OG SER A 139 -9.948 1.633 4.564 1.00 0.00 O ATOM 0 H SER A 139 -8.016 0.498 3.662 1.00 0.00 H new ATOM 0 HA SER A 139 -8.011 3.354 3.745 1.00 0.00 H new ATOM 0 HB2 SER A 139 -8.356 1.112 5.770 1.00 0.00 H new ATOM 0 HB3 SER A 139 -8.918 2.762 5.952 1.00 0.00 H new ATOM 0 HG SER A 139 -10.606 1.334 5.226 1.00 0.00 H new ATOM 851 N ASP A 140 -5.514 1.752 4.901 1.00 0.00 N ATOM 852 CA ASP A 140 -4.225 1.871 5.583 1.00 0.00 C ATOM 853 C ASP A 140 -3.262 2.578 4.715 1.00 0.00 C ATOM 854 O ASP A 140 -2.369 3.243 5.201 1.00 0.00 O ATOM 855 CB ASP A 140 -3.653 0.514 5.912 1.00 0.00 C ATOM 856 CG ASP A 140 -2.661 0.569 7.057 1.00 0.00 C ATOM 857 OD1 ASP A 140 -3.001 1.144 8.112 1.00 0.00 O ATOM 858 OD2 ASP A 140 -1.555 -0.013 6.933 1.00 0.00 O ATOM 0 H ASP A 140 -5.649 0.870 4.407 1.00 0.00 H new ATOM 0 HA ASP A 140 -4.391 2.426 6.507 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -4.464 -0.167 6.170 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -3.162 0.105 5.029 1.00 0.00 H new ATOM 863 N LEU A 141 -3.442 2.396 3.424 1.00 0.00 N ATOM 864 CA LEU A 141 -2.608 3.031 2.405 1.00 0.00 C ATOM 865 C LEU A 141 -2.512 4.517 2.605 1.00 0.00 C ATOM 866 O LEU A 141 -3.525 5.214 2.792 1.00 0.00 O ATOM 867 CB LEU A 141 -3.127 2.777 1.007 1.00 0.00 C ATOM 868 CG LEU A 141 -3.181 1.348 0.531 1.00 0.00 C ATOM 869 CD1 LEU A 141 -3.598 1.332 -0.921 1.00 0.00 C ATOM 870 CD2 LEU A 141 -1.839 0.677 0.711 1.00 0.00 C ATOM 0 H LEU A 141 -4.175 1.800 3.041 1.00 0.00 H new ATOM 0 HA LEU A 141 -1.621 2.582 2.514 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -4.133 3.191 0.942 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -2.505 3.340 0.311 1.00 0.00 H new ATOM 0 HG LEU A 141 -3.909 0.793 1.122 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -3.640 0.302 -1.276 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -4.581 1.792 -1.022 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -2.874 1.891 -1.514 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -1.898 -0.354 0.362 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -1.084 1.213 0.135 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -1.566 0.688 1.766 1.00 0.00 H new ATOM 882 N LEU A 142 -1.318 4.999 2.548 1.00 0.00 N ATOM 883 CA LEU A 142 -1.070 6.385 2.756 1.00 0.00 C ATOM 884 C LEU A 142 -0.770 7.054 1.446 1.00 0.00 C ATOM 885 O LEU A 142 -0.472 6.377 0.451 1.00 0.00 O ATOM 886 CB LEU A 142 0.075 6.631 3.753 1.00 0.00 C ATOM 887 CG LEU A 142 -0.102 6.050 5.162 1.00 0.00 C ATOM 888 CD1 LEU A 142 0.305 4.577 5.240 1.00 0.00 C ATOM 889 CD2 LEU A 142 0.622 6.885 6.187 1.00 0.00 C ATOM 0 H LEU A 142 -0.485 4.443 2.356 1.00 0.00 H new ATOM 0 HA LEU A 142 -1.972 6.816 3.190 1.00 0.00 H new ATOM 0 HB2 LEU A 142 0.991 6.220 3.328 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.221 7.707 3.845 1.00 0.00 H new ATOM 0 HG LEU A 142 -1.167 6.087 5.393 1.00 0.00 H new ATOM 0 HD11 LEU A 142 0.161 4.213 6.257 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -0.310 3.993 4.555 1.00 0.00 H new ATOM 0 HD13 LEU A 142 1.354 4.474 4.963 1.00 0.00 H new ATOM 0 HD21 LEU A 142 0.480 6.451 7.176 1.00 0.00 H new ATOM 0 HD22 LEU A 142 1.686 6.909 5.951 1.00 0.00 H new ATOM 0 HD23 LEU A 142 0.225 7.900 6.176 1.00 0.00 H new ATOM 901 N SER A 143 -0.843 8.360 1.451 1.00 0.00 N ATOM 902 CA SER A 143 -0.593 9.163 0.285 1.00 0.00 C ATOM 903 C SER A 143 0.877 8.971 -0.155 1.00 0.00 C ATOM 904 O SER A 143 1.781 8.884 0.700 1.00 0.00 O ATOM 905 CB SER A 143 -0.896 10.632 0.623 1.00 0.00 C ATOM 906 OG SER A 143 -0.907 11.455 -0.529 1.00 0.00 O ATOM 0 H SER A 143 -1.082 8.903 2.280 1.00 0.00 H new ATOM 0 HA SER A 143 -1.235 8.861 -0.542 1.00 0.00 H new ATOM 0 HB2 SER A 143 -1.863 10.696 1.122 1.00 0.00 H new ATOM 0 HB3 SER A 143 -0.149 11.003 1.325 1.00 0.00 H new ATOM 0 HG SER A 143 -1.105 12.379 -0.269 1.00 0.00 H new ATOM 912 N PRO A 144 1.127 8.857 -1.470 1.00 0.00 N ATOM 913 CA PRO A 144 2.465 8.598 -2.005 1.00 0.00 C ATOM 914 C PRO A 144 3.366 9.815 -1.973 1.00 0.00 C ATOM 915 O PRO A 144 2.938 10.926 -1.651 1.00 0.00 O ATOM 916 CB PRO A 144 2.191 8.226 -3.452 1.00 0.00 C ATOM 917 CG PRO A 144 0.973 9.005 -3.794 1.00 0.00 C ATOM 918 CD PRO A 144 0.128 8.987 -2.554 1.00 0.00 C ATOM 0 HA PRO A 144 2.981 7.837 -1.420 1.00 0.00 H new ATOM 0 HB2 PRO A 144 3.029 8.489 -4.098 1.00 0.00 H new ATOM 0 HB3 PRO A 144 2.025 7.155 -3.565 1.00 0.00 H new ATOM 0 HG2 PRO A 144 1.227 10.025 -4.082 1.00 0.00 H new ATOM 0 HG3 PRO A 144 0.445 8.558 -4.636 1.00 0.00 H new ATOM 0 HD2 PRO A 144 -0.460 9.899 -2.453 1.00 0.00 H new ATOM 0 HD3 PRO A 144 -0.575 8.154 -2.557 1.00 0.00 H new ATOM 926 N ILE A 145 4.602 9.601 -2.311 1.00 0.00 N ATOM 927 CA ILE A 145 5.561 10.660 -2.395 1.00 0.00 C ATOM 928 C ILE A 145 5.953 10.847 -3.837 1.00 0.00 C ATOM 929 O ILE A 145 5.793 9.912 -4.662 1.00 0.00 O ATOM 930 CB ILE A 145 6.824 10.382 -1.546 1.00 0.00 C ATOM 931 CG1 ILE A 145 7.479 9.051 -1.961 1.00 0.00 C ATOM 932 CG2 ILE A 145 6.474 10.397 -0.065 1.00 0.00 C ATOM 933 CD1 ILE A 145 8.767 8.737 -1.231 1.00 0.00 C ATOM 0 H ILE A 145 4.976 8.679 -2.538 1.00 0.00 H new ATOM 0 HA ILE A 145 5.099 11.564 -1.997 1.00 0.00 H new ATOM 0 HB ILE A 145 7.552 11.173 -1.728 1.00 0.00 H new ATOM 0 HG12 ILE A 145 6.770 8.241 -1.788 1.00 0.00 H new ATOM 0 HG13 ILE A 145 7.679 9.076 -3.032 1.00 0.00 H new ATOM 0 HG21 ILE A 145 7.371 10.200 0.523 1.00 0.00 H new ATOM 0 HG22 ILE A 145 6.071 11.373 0.204 1.00 0.00 H new ATOM 0 HG23 ILE A 145 5.729 9.628 0.141 1.00 0.00 H new ATOM 0 HD11 ILE A 145 9.161 7.784 -1.583 1.00 0.00 H new ATOM 0 HD12 ILE A 145 9.496 9.524 -1.424 1.00 0.00 H new ATOM 0 HD13 ILE A 145 8.573 8.676 -0.160 1.00 0.00 H new ATOM 945 N CYS A 146 6.434 12.018 -4.149 1.00 0.00 N ATOM 946 CA CYS A 146 6.853 12.343 -5.487 1.00 0.00 C ATOM 947 C CYS A 146 8.060 11.500 -5.859 1.00 0.00 C ATOM 948 O CYS A 146 8.978 11.317 -5.042 1.00 0.00 O ATOM 949 CB CYS A 146 7.193 13.829 -5.584 1.00 0.00 C ATOM 950 SG CYS A 146 5.861 14.926 -5.039 1.00 0.00 S ATOM 0 H CYS A 146 6.548 12.779 -3.480 1.00 0.00 H new ATOM 0 HA CYS A 146 6.041 12.128 -6.182 1.00 0.00 H new ATOM 0 HB2 CYS A 146 8.082 14.028 -4.985 1.00 0.00 H new ATOM 0 HB3 CYS A 146 7.446 14.067 -6.617 1.00 0.00 H new ATOM 0 HG CYS A 146 6.243 16.163 -5.156 1.00 0.00 H new ATOM 956 N GLU A 147 8.046 10.968 -7.046 1.00 0.00 N ATOM 957 CA GLU A 147 9.114 10.130 -7.500 1.00 0.00 C ATOM 958 C GLU A 147 10.193 10.994 -8.097 1.00 0.00 C ATOM 959 O GLU A 147 10.038 11.447 -9.250 1.00 0.00 O ATOM 960 CB GLU A 147 8.613 9.108 -8.511 1.00 0.00 C ATOM 961 CG GLU A 147 7.473 8.255 -7.995 1.00 0.00 C ATOM 962 CD GLU A 147 7.090 7.176 -8.954 1.00 0.00 C ATOM 963 OE1 GLU A 147 6.405 7.461 -9.947 1.00 0.00 O ATOM 964 OE2 GLU A 147 7.455 5.998 -8.716 1.00 0.00 O ATOM 965 OXT GLU A 147 11.187 11.278 -7.411 1.00 0.00 O ATOM 0 H GLU A 147 7.296 11.103 -7.724 1.00 0.00 H new ATOM 0 HA GLU A 147 9.522 9.575 -6.655 1.00 0.00 H new ATOM 0 HB2 GLU A 147 8.287 9.629 -9.411 1.00 0.00 H new ATOM 0 HB3 GLU A 147 9.440 8.459 -8.800 1.00 0.00 H new ATOM 0 HG2 GLU A 147 7.760 7.807 -7.044 1.00 0.00 H new ATOM 0 HG3 GLU A 147 6.608 8.889 -7.801 1.00 0.00 H new TER 972 GLU A 147 HETATM 973 C1 DA2 A1148 9.731 -1.448 1.883 1.00 0.00 C HETATM 974 C2 DA2 A1148 10.082 -3.629 0.767 1.00 0.00 C HETATM 975 N DA2 A1148 14.033 -7.894 -0.875 1.00 0.00 N HETATM 976 CA DA2 A1148 14.416 -7.324 0.413 1.00 0.00 C HETATM 977 CB DA2 A1148 14.066 -5.830 0.457 1.00 0.00 C HETATM 978 CG DA2 A1148 14.380 -5.154 1.779 1.00 0.00 C HETATM 979 CD DA2 A1148 14.026 -3.685 1.746 1.00 0.00 C HETATM 980 NE DA2 A1148 12.615 -3.504 1.484 1.00 0.00 N HETATM 981 CZ DA2 A1148 11.865 -2.492 1.849 1.00 0.00 C HETATM 982 NH2 DA2 A1148 12.341 -1.483 2.529 1.00 0.00 N HETATM 983 NH1 DA2 A1148 10.613 -2.516 1.517 1.00 0.00 N HETATM 984 C DA2 A1148 13.694 -8.081 1.504 1.00 0.00 C HETATM 985 O DA2 A1148 14.345 -8.675 2.375 1.00 0.00 O HETATM 986 OXT DA2 A1148 12.464 -8.135 1.467 1.00 0.00 O HETATM 0 HNH2 DA2 A1148 12.238 -1.666 3.527 1.00 0.00 H new HETATM 0 HCG2 DA2 A1148 13.828 -5.645 2.580 1.00 0.00 H new HETATM 0 HCG1 DA2 A1148 15.440 -5.269 2.005 1.00 0.00 H new HETATM 0 HCD2 DA2 A1148 14.286 -3.222 2.698 1.00 0.00 H new HETATM 0 HCD1 DA2 A1148 14.611 -3.182 0.976 1.00 0.00 H new HETATM 0 HCB2 DA2 A1148 14.609 -5.318 -0.338 1.00 0.00 H new HETATM 0 HCB1 DA2 A1148 13.003 -5.711 0.245 1.00 0.00 H new HETATM 0 HC23 DA2 A1148 9.290 -4.110 1.341 1.00 0.00 H new HETATM 0 HC22 DA2 A1148 9.677 -3.270 -0.179 1.00 0.00 H new HETATM 0 HC21 DA2 A1148 10.877 -4.348 0.572 1.00 0.00 H new HETATM 0 HC13 DA2 A1148 9.311 -0.998 0.983 1.00 0.00 H new HETATM 0 HC12 DA2 A1148 8.925 -1.839 2.504 1.00 0.00 H new HETATM 0 HC11 DA2 A1148 10.285 -0.693 2.441 1.00 0.00 H new HETATM 0 HNE DA2 A1148 12.152 -4.245 0.957 1.00 0.00 H new HETATM 0 HN2 DA2 A1148 14.199 -8.882 -1.065 1.00 0.00 H new HETATM 0 HN1 DA2 A1148 13.599 -7.304 -1.585 1.00 0.00 H new HETATM 0 HCA DA2 A1148 15.492 -7.415 0.560 1.00 0.00 H new