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 1:sc= -0.142 USER MOD Set 1.2: A 136 GLN : amide:sc= -2.93! C(o=-3.1!,f=-9.8!) USER MOD Single : A 84 ASN : amide:sc= -0.12 K(o=-0.12,f=0.93) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0.386 K(o=0.39,f=-4.1!) USER MOD Single : A 91 GLN : amide:sc= -0.245 X(o=-0.25,f=-0.19) USER MOD Single : A 93 LYS NZ :NH3+ -142:sc= 1.23 (180deg=0.12) USER MOD Single : A 97 LYS NZ :NH3+ -171:sc= 1.25 (180deg=1.12) USER MOD Single : A 98 CYS SG : rot -11:sc= 0.938 USER MOD Single : A 99 SER OG : rot 105:sc= -0.97! USER MOD Single : A 103 SER OG : rot 44:sc= 1.02 USER MOD Single : A 107 CYS SG : rot 119:sc= 1.15 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot -7:sc= 0.956 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 70:sc= -0.785 USER MOD Single : A 123 CYS SG : rot -17:sc= -4.6! USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD Single : A 130 TYR OH : rot -125:sc=0.000321 USER MOD Single : A 132 ASN : amide:sc= 1.06 K(o=1.1,f=-5.2!) USER MOD Single : A 137 ASN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 139 SER OG : rot 180:sc= 0.0588 USER MOD Single : A 143 SER OG : rot 180:sc= -0.459 USER MOD Single : A 146 CYS SG : rot 180:sc= 0.0893 USER MOD Single : A1148 DA2 NH2 :NH3+ -91:sc= -0.437 (180deg=-4.08!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 84 -5.892 15.679 15.058 1.00 0.00 N ATOM 2 CA ASN A 84 -5.215 15.079 13.907 1.00 0.00 C ATOM 3 C ASN A 84 -6.230 14.655 12.875 1.00 0.00 C ATOM 4 O ASN A 84 -7.430 14.656 13.142 1.00 0.00 O ATOM 5 CB ASN A 84 -4.370 13.859 14.307 1.00 0.00 C ATOM 6 CG ASN A 84 -3.232 14.182 15.249 1.00 0.00 C ATOM 7 OD1 ASN A 84 -3.327 15.083 16.074 1.00 0.00 O ATOM 8 ND2 ASN A 84 -2.143 13.465 15.125 1.00 0.00 N ATOM 0 HA ASN A 84 -4.548 15.836 13.495 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -5.018 13.119 14.777 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -3.963 13.400 13.406 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -1.340 13.649 15.726 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -2.098 12.722 14.427 1.00 0.00 H new ATOM 17 N THR A 85 -5.754 14.316 11.701 1.00 0.00 N ATOM 18 CA THR A 85 -6.567 13.833 10.610 1.00 0.00 C ATOM 19 C THR A 85 -5.753 12.773 9.865 1.00 0.00 C ATOM 20 O THR A 85 -4.657 13.061 9.380 1.00 0.00 O ATOM 21 CB THR A 85 -6.923 14.991 9.630 1.00 0.00 C ATOM 22 OG1 THR A 85 -7.590 16.051 10.339 1.00 0.00 O ATOM 23 CG2 THR A 85 -7.828 14.505 8.503 1.00 0.00 C ATOM 0 H THR A 85 -4.762 14.370 11.471 1.00 0.00 H new ATOM 0 HA THR A 85 -7.498 13.419 10.997 1.00 0.00 H new ATOM 0 HB THR A 85 -5.991 15.357 9.200 1.00 0.00 H new ATOM 0 HG1 THR A 85 -7.808 16.775 9.715 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.058 15.336 7.837 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.321 13.720 7.942 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.753 14.111 8.924 1.00 0.00 H new ATOM 31 N ALA A 86 -6.245 11.562 9.821 1.00 0.00 N ATOM 32 CA ALA A 86 -5.551 10.478 9.145 1.00 0.00 C ATOM 33 C ALA A 86 -5.770 10.579 7.663 1.00 0.00 C ATOM 34 O ALA A 86 -4.823 10.471 6.870 1.00 0.00 O ATOM 35 CB ALA A 86 -6.045 9.134 9.644 1.00 0.00 C ATOM 0 H ALA A 86 -7.132 11.293 10.247 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.486 10.560 9.362 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.513 8.336 9.126 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.863 9.055 10.716 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.114 9.044 9.449 1.00 0.00 H new ATOM 41 N ALA A 87 -7.022 10.828 7.312 1.00 0.00 N ATOM 42 CA ALA A 87 -7.484 10.934 5.947 1.00 0.00 C ATOM 43 C ALA A 87 -7.227 9.661 5.190 1.00 0.00 C ATOM 44 O ALA A 87 -6.290 9.560 4.419 1.00 0.00 O ATOM 45 CB ALA A 87 -6.886 12.112 5.233 1.00 0.00 C ATOM 0 H ALA A 87 -7.765 10.966 7.997 1.00 0.00 H new ATOM 0 HA ALA A 87 -8.561 11.098 5.989 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -7.264 12.148 4.211 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -7.159 13.030 5.754 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.801 12.014 5.215 1.00 0.00 H new ATOM 51 N SER A 88 -8.028 8.694 5.464 1.00 0.00 N ATOM 52 CA SER A 88 -7.940 7.392 4.864 1.00 0.00 C ATOM 53 C SER A 88 -9.144 7.176 3.954 1.00 0.00 C ATOM 54 O SER A 88 -9.518 6.049 3.628 1.00 0.00 O ATOM 55 CB SER A 88 -7.952 6.384 5.987 1.00 0.00 C ATOM 56 OG SER A 88 -6.929 6.681 6.919 1.00 0.00 O ATOM 0 H SER A 88 -8.792 8.781 6.134 1.00 0.00 H new ATOM 0 HA SER A 88 -7.033 7.290 4.268 1.00 0.00 H new ATOM 0 HB2 SER A 88 -8.922 6.394 6.484 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.809 5.380 5.587 1.00 0.00 H new ATOM 0 HG SER A 88 -6.946 6.022 7.644 1.00 0.00 H new ATOM 62 N LEU A 89 -9.703 8.271 3.500 1.00 0.00 N ATOM 63 CA LEU A 89 -10.908 8.256 2.702 1.00 0.00 C ATOM 64 C LEU A 89 -10.625 8.229 1.206 1.00 0.00 C ATOM 65 O LEU A 89 -11.504 8.519 0.392 1.00 0.00 O ATOM 66 CB LEU A 89 -11.846 9.422 3.109 1.00 0.00 C ATOM 67 CG LEU A 89 -11.230 10.835 3.288 1.00 0.00 C ATOM 68 CD1 LEU A 89 -10.674 11.409 1.989 1.00 0.00 C ATOM 69 CD2 LEU A 89 -12.264 11.778 3.886 1.00 0.00 C ATOM 0 H LEU A 89 -9.333 9.205 3.674 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.428 7.322 2.913 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -12.631 9.495 2.357 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -12.328 9.148 4.047 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.385 10.734 3.969 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -10.257 12.398 2.177 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.893 10.753 1.606 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.475 11.487 1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -11.825 12.768 4.009 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.125 11.843 3.221 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -12.583 11.399 4.857 1.00 0.00 H new ATOM 81 N GLN A 90 -9.413 7.876 0.843 1.00 0.00 N ATOM 82 CA GLN A 90 -9.046 7.795 -0.543 1.00 0.00 C ATOM 83 C GLN A 90 -9.621 6.540 -1.152 1.00 0.00 C ATOM 84 O GLN A 90 -9.783 5.524 -0.472 1.00 0.00 O ATOM 85 CB GLN A 90 -7.525 7.814 -0.764 1.00 0.00 C ATOM 86 CG GLN A 90 -6.793 9.063 -0.282 1.00 0.00 C ATOM 87 CD GLN A 90 -6.689 9.152 1.218 1.00 0.00 C ATOM 88 OE1 GLN A 90 -6.657 8.134 1.915 1.00 0.00 O ATOM 89 NE2 GLN A 90 -6.638 10.344 1.735 1.00 0.00 N ATOM 0 H GLN A 90 -8.665 7.640 1.495 1.00 0.00 H new ATOM 0 HA GLN A 90 -9.456 8.681 -1.028 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -7.094 6.948 -0.261 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -7.331 7.693 -1.830 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -5.791 9.076 -0.710 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -7.311 9.946 -0.656 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -6.667 11.164 1.129 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -6.569 10.459 2.746 1.00 0.00 H new ATOM 98 N GLN A 91 -9.908 6.613 -2.404 1.00 0.00 N ATOM 99 CA GLN A 91 -10.455 5.529 -3.142 1.00 0.00 C ATOM 100 C GLN A 91 -9.377 5.123 -4.086 1.00 0.00 C ATOM 101 O GLN A 91 -8.973 5.904 -4.951 1.00 0.00 O ATOM 102 CB GLN A 91 -11.704 5.983 -3.906 1.00 0.00 C ATOM 103 CG GLN A 91 -12.495 4.863 -4.585 1.00 0.00 C ATOM 104 CD GLN A 91 -12.994 3.821 -3.598 1.00 0.00 C ATOM 105 OE1 GLN A 91 -14.072 3.965 -3.017 1.00 0.00 O ATOM 106 NE2 GLN A 91 -12.259 2.751 -3.438 1.00 0.00 N ATOM 0 H GLN A 91 -9.764 7.456 -2.961 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.763 4.704 -2.499 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -12.365 6.504 -3.213 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -11.404 6.706 -4.665 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -13.345 5.293 -5.115 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -11.865 4.379 -5.332 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -11.372 2.663 -3.934 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -12.573 2.005 -2.818 1.00 0.00 H new ATOM 115 N TRP A 92 -8.877 3.962 -3.902 1.00 0.00 N ATOM 116 CA TRP A 92 -7.746 3.521 -4.647 1.00 0.00 C ATOM 117 C TRP A 92 -8.156 2.606 -5.759 1.00 0.00 C ATOM 118 O TRP A 92 -9.216 1.964 -5.696 1.00 0.00 O ATOM 119 CB TRP A 92 -6.792 2.791 -3.726 1.00 0.00 C ATOM 120 CG TRP A 92 -6.301 3.612 -2.577 1.00 0.00 C ATOM 121 CD1 TRP A 92 -6.828 3.666 -1.324 1.00 0.00 C ATOM 122 CD2 TRP A 92 -5.180 4.489 -2.581 1.00 0.00 C ATOM 123 NE1 TRP A 92 -6.086 4.509 -0.539 1.00 0.00 N ATOM 124 CE2 TRP A 92 -5.069 5.032 -1.290 1.00 0.00 C ATOM 125 CE3 TRP A 92 -4.256 4.860 -3.551 1.00 0.00 C ATOM 126 CZ2 TRP A 92 -4.064 5.926 -0.947 1.00 0.00 C ATOM 127 CZ3 TRP A 92 -3.266 5.743 -3.216 1.00 0.00 C ATOM 128 CH2 TRP A 92 -3.174 6.268 -1.921 1.00 0.00 C ATOM 0 H TRP A 92 -9.236 3.283 -3.231 1.00 0.00 H new ATOM 0 HA TRP A 92 -7.258 4.394 -5.080 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -7.289 1.902 -3.337 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -5.935 2.449 -4.306 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -7.703 3.124 -0.996 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -6.263 4.713 0.445 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -4.318 4.458 -4.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -3.990 6.334 0.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -2.544 6.040 -3.962 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -2.379 6.961 -1.688 1.00 0.00 H new ATOM 139 N LYS A 93 -7.360 2.585 -6.789 1.00 0.00 N ATOM 140 CA LYS A 93 -7.536 1.684 -7.890 1.00 0.00 C ATOM 141 C LYS A 93 -6.200 1.027 -8.168 1.00 0.00 C ATOM 142 O LYS A 93 -5.152 1.498 -7.693 1.00 0.00 O ATOM 143 CB LYS A 93 -8.074 2.408 -9.139 1.00 0.00 C ATOM 144 CG LYS A 93 -7.155 3.477 -9.687 1.00 0.00 C ATOM 145 CD LYS A 93 -7.834 4.304 -10.759 1.00 0.00 C ATOM 146 CE LYS A 93 -6.976 5.491 -11.176 1.00 0.00 C ATOM 147 NZ LYS A 93 -6.676 6.386 -10.030 1.00 0.00 N ATOM 0 H LYS A 93 -6.556 3.205 -6.888 1.00 0.00 H new ATOM 0 HA LYS A 93 -8.280 0.930 -7.633 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.259 1.670 -9.920 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -9.034 2.862 -8.895 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -6.830 4.129 -8.876 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.260 3.011 -10.099 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -8.038 3.678 -11.628 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -8.796 4.661 -10.390 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -6.043 5.130 -11.609 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -7.491 6.056 -11.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -6.698 7.376 -10.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -7.387 6.246 -9.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -5.732 6.164 -9.654 1.00 0.00 H new ATOM 161 N VAL A 94 -6.230 -0.054 -8.881 1.00 0.00 N ATOM 162 CA VAL A 94 -5.026 -0.759 -9.248 1.00 0.00 C ATOM 163 C VAL A 94 -4.175 0.147 -10.130 1.00 0.00 C ATOM 164 O VAL A 94 -4.677 0.742 -11.091 1.00 0.00 O ATOM 165 CB VAL A 94 -5.369 -2.064 -10.001 1.00 0.00 C ATOM 166 CG1 VAL A 94 -4.117 -2.774 -10.466 1.00 0.00 C ATOM 167 CG2 VAL A 94 -6.186 -2.980 -9.108 1.00 0.00 C ATOM 0 H VAL A 94 -7.089 -0.480 -9.230 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.473 -1.024 -8.347 1.00 0.00 H new ATOM 0 HB VAL A 94 -5.955 -1.802 -10.882 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.391 -3.688 -10.992 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.558 -2.123 -11.138 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.499 -3.023 -9.604 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.423 -3.897 -9.647 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.612 -3.223 -8.214 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -7.110 -2.479 -8.821 1.00 0.00 H new ATOM 177 N GLY A 95 -2.923 0.289 -9.781 1.00 0.00 N ATOM 178 CA GLY A 95 -2.055 1.144 -10.526 1.00 0.00 C ATOM 179 C GLY A 95 -1.904 2.514 -9.903 1.00 0.00 C ATOM 180 O GLY A 95 -1.414 3.447 -10.558 1.00 0.00 O ATOM 0 H GLY A 95 -2.488 -0.178 -8.986 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -1.074 0.677 -10.607 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -2.441 1.252 -11.540 1.00 0.00 H new ATOM 184 N ASP A 96 -2.325 2.662 -8.663 1.00 0.00 N ATOM 185 CA ASP A 96 -2.139 3.922 -7.964 1.00 0.00 C ATOM 186 C ASP A 96 -0.906 3.829 -7.131 1.00 0.00 C ATOM 187 O ASP A 96 -0.610 2.770 -6.560 1.00 0.00 O ATOM 188 CB ASP A 96 -3.321 4.335 -7.043 1.00 0.00 C ATOM 189 CG ASP A 96 -4.550 4.893 -7.735 1.00 0.00 C ATOM 190 OD1 ASP A 96 -4.417 5.621 -8.746 1.00 0.00 O ATOM 191 OD2 ASP A 96 -5.675 4.711 -7.224 1.00 0.00 O ATOM 0 H ASP A 96 -2.793 1.936 -8.122 1.00 0.00 H new ATOM 0 HA ASP A 96 -2.068 4.688 -8.737 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -3.622 3.464 -6.461 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -2.959 5.081 -6.335 1.00 0.00 H new ATOM 196 N LYS A 97 -0.159 4.887 -7.101 1.00 0.00 N ATOM 197 CA LYS A 97 1.005 4.961 -6.277 1.00 0.00 C ATOM 198 C LYS A 97 0.592 5.390 -4.903 1.00 0.00 C ATOM 199 O LYS A 97 -0.278 6.259 -4.756 1.00 0.00 O ATOM 200 CB LYS A 97 2.017 5.940 -6.833 1.00 0.00 C ATOM 201 CG LYS A 97 2.409 5.650 -8.262 1.00 0.00 C ATOM 202 CD LYS A 97 3.752 6.256 -8.590 1.00 0.00 C ATOM 203 CE LYS A 97 3.761 7.775 -8.475 1.00 0.00 C ATOM 204 NZ LYS A 97 5.114 8.327 -8.705 1.00 0.00 N ATOM 0 H LYS A 97 -0.340 5.727 -7.650 1.00 0.00 H new ATOM 0 HA LYS A 97 1.476 3.978 -6.247 1.00 0.00 H new ATOM 0 HB2 LYS A 97 1.607 6.948 -6.774 1.00 0.00 H new ATOM 0 HB3 LYS A 97 2.910 5.922 -6.208 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.444 4.572 -8.421 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.652 6.048 -8.938 1.00 0.00 H new ATOM 0 HD2 LYS A 97 4.505 5.842 -7.920 1.00 0.00 H new ATOM 0 HD3 LYS A 97 4.036 5.972 -9.603 1.00 0.00 H new ATOM 0 HE2 LYS A 97 3.065 8.200 -9.199 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.410 8.068 -7.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 5.120 9.340 -8.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 5.799 7.829 -8.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 5.375 8.201 -9.704 1.00 0.00 H new ATOM 218 N CYS A 98 1.184 4.805 -3.924 1.00 0.00 N ATOM 219 CA CYS A 98 0.846 5.078 -2.557 1.00 0.00 C ATOM 220 C CYS A 98 2.063 4.836 -1.672 1.00 0.00 C ATOM 221 O CYS A 98 3.189 4.687 -2.166 1.00 0.00 O ATOM 222 CB CYS A 98 -0.323 4.160 -2.140 1.00 0.00 C ATOM 223 SG CYS A 98 0.024 2.401 -2.303 1.00 0.00 S ATOM 0 H CYS A 98 1.926 4.115 -4.042 1.00 0.00 H new ATOM 0 HA CYS A 98 0.541 6.118 -2.444 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -0.585 4.372 -1.103 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -1.196 4.404 -2.746 1.00 0.00 H new ATOM 0 HG CYS A 98 1.134 2.237 -2.959 1.00 0.00 H new ATOM 229 N SER A 99 1.850 4.839 -0.405 1.00 0.00 N ATOM 230 CA SER A 99 2.852 4.498 0.535 1.00 0.00 C ATOM 231 C SER A 99 2.255 3.491 1.457 1.00 0.00 C ATOM 232 O SER A 99 1.053 3.565 1.784 1.00 0.00 O ATOM 233 CB SER A 99 3.323 5.691 1.332 1.00 0.00 C ATOM 234 OG SER A 99 3.604 6.804 0.500 1.00 0.00 O ATOM 0 H SER A 99 0.953 5.084 0.015 1.00 0.00 H new ATOM 0 HA SER A 99 3.723 4.110 0.007 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.560 5.965 2.060 1.00 0.00 H new ATOM 0 HB3 SER A 99 4.218 5.422 1.894 1.00 0.00 H new ATOM 0 HG SER A 99 2.887 7.466 0.586 1.00 0.00 H new ATOM 240 N ALA A 100 3.043 2.578 1.870 1.00 0.00 N ATOM 241 CA ALA A 100 2.586 1.514 2.683 1.00 0.00 C ATOM 242 C ALA A 100 3.540 1.298 3.833 1.00 0.00 C ATOM 243 O ALA A 100 4.686 1.758 3.787 1.00 0.00 O ATOM 244 CB ALA A 100 2.443 0.269 1.834 1.00 0.00 C ATOM 0 H ALA A 100 4.039 2.544 1.652 1.00 0.00 H new ATOM 0 HA ALA A 100 1.611 1.756 3.106 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.091 -0.556 2.454 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.725 0.454 1.035 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.409 0.011 1.401 1.00 0.00 H new ATOM 250 N ILE A 101 3.062 0.645 4.863 1.00 0.00 N ATOM 251 CA ILE A 101 3.866 0.355 6.031 1.00 0.00 C ATOM 252 C ILE A 101 4.446 -1.029 5.862 1.00 0.00 C ATOM 253 O ILE A 101 3.690 -2.017 5.830 1.00 0.00 O ATOM 254 CB ILE A 101 3.026 0.400 7.356 1.00 0.00 C ATOM 255 CG1 ILE A 101 2.664 1.832 7.745 1.00 0.00 C ATOM 256 CG2 ILE A 101 3.752 -0.289 8.515 1.00 0.00 C ATOM 257 CD1 ILE A 101 3.850 2.640 8.239 1.00 0.00 C ATOM 0 H ILE A 101 2.104 0.298 4.918 1.00 0.00 H new ATOM 0 HA ILE A 101 4.645 1.113 6.113 1.00 0.00 H new ATOM 0 HB ILE A 101 2.105 -0.147 7.156 1.00 0.00 H new ATOM 0 HG12 ILE A 101 2.225 2.335 6.883 1.00 0.00 H new ATOM 0 HG13 ILE A 101 1.901 1.808 8.523 1.00 0.00 H new ATOM 0 HG21 ILE A 101 3.137 -0.235 9.413 1.00 0.00 H new ATOM 0 HG22 ILE A 101 3.934 -1.333 8.261 1.00 0.00 H new ATOM 0 HG23 ILE A 101 4.703 0.211 8.697 1.00 0.00 H new ATOM 0 HD11 ILE A 101 3.522 3.647 8.498 1.00 0.00 H new ATOM 0 HD12 ILE A 101 4.276 2.159 9.120 1.00 0.00 H new ATOM 0 HD13 ILE A 101 4.605 2.695 7.455 1.00 0.00 H new ATOM 269 N TRP A 102 5.753 -1.099 5.745 1.00 0.00 N ATOM 270 CA TRP A 102 6.446 -2.350 5.554 1.00 0.00 C ATOM 271 C TRP A 102 6.217 -3.257 6.727 1.00 0.00 C ATOM 272 O TRP A 102 6.449 -2.877 7.845 1.00 0.00 O ATOM 273 CB TRP A 102 7.938 -2.118 5.385 1.00 0.00 C ATOM 274 CG TRP A 102 8.673 -3.313 4.867 1.00 0.00 C ATOM 275 CD1 TRP A 102 8.161 -4.319 4.101 1.00 0.00 C ATOM 276 CD2 TRP A 102 10.053 -3.604 5.027 1.00 0.00 C ATOM 277 NE1 TRP A 102 9.124 -5.224 3.799 1.00 0.00 N ATOM 278 CE2 TRP A 102 10.304 -4.807 4.341 1.00 0.00 C ATOM 279 CE3 TRP A 102 11.104 -2.971 5.681 1.00 0.00 C ATOM 280 CZ2 TRP A 102 11.558 -5.382 4.295 1.00 0.00 C ATOM 281 CZ3 TRP A 102 12.351 -3.549 5.631 1.00 0.00 C ATOM 282 CH2 TRP A 102 12.566 -4.744 4.941 1.00 0.00 C ATOM 0 H TRP A 102 6.367 -0.285 5.780 1.00 0.00 H new ATOM 0 HA TRP A 102 6.053 -2.817 4.651 1.00 0.00 H new ATOM 0 HB2 TRP A 102 8.093 -1.282 4.702 1.00 0.00 H new ATOM 0 HB3 TRP A 102 8.364 -1.828 6.346 1.00 0.00 H new ATOM 0 HD1 TRP A 102 7.132 -4.385 3.780 1.00 0.00 H new ATOM 0 HE1 TRP A 102 8.988 -6.077 3.256 1.00 0.00 H new ATOM 0 HE3 TRP A 102 10.945 -2.046 6.216 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 11.730 -6.306 3.764 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 13.178 -3.070 6.134 1.00 0.00 H new ATOM 0 HH2 TRP A 102 13.558 -5.170 4.921 1.00 0.00 H new ATOM 293 N SER A 103 5.776 -4.442 6.454 1.00 0.00 N ATOM 294 CA SER A 103 5.513 -5.441 7.454 1.00 0.00 C ATOM 295 C SER A 103 6.723 -5.762 8.313 1.00 0.00 C ATOM 296 O SER A 103 6.596 -6.112 9.478 1.00 0.00 O ATOM 297 CB SER A 103 5.070 -6.692 6.746 1.00 0.00 C ATOM 298 OG SER A 103 3.796 -6.528 6.165 1.00 0.00 O ATOM 0 H SER A 103 5.581 -4.757 5.503 1.00 0.00 H new ATOM 0 HA SER A 103 4.747 -5.052 8.125 1.00 0.00 H new ATOM 0 HB2 SER A 103 5.794 -6.951 5.973 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.046 -7.523 7.451 1.00 0.00 H new ATOM 0 HG SER A 103 3.749 -5.656 5.720 1.00 0.00 H new ATOM 304 N GLU A 104 7.866 -5.626 7.743 1.00 0.00 N ATOM 305 CA GLU A 104 9.071 -6.043 8.396 1.00 0.00 C ATOM 306 C GLU A 104 9.638 -4.994 9.318 1.00 0.00 C ATOM 307 O GLU A 104 10.181 -5.320 10.371 1.00 0.00 O ATOM 308 CB GLU A 104 10.080 -6.441 7.371 1.00 0.00 C ATOM 309 CG GLU A 104 9.585 -7.535 6.466 1.00 0.00 C ATOM 310 CD GLU A 104 9.418 -8.859 7.169 1.00 0.00 C ATOM 311 OE1 GLU A 104 10.396 -9.629 7.228 1.00 0.00 O ATOM 312 OE2 GLU A 104 8.308 -9.164 7.677 1.00 0.00 O ATOM 0 H GLU A 104 8.001 -5.225 6.815 1.00 0.00 H new ATOM 0 HA GLU A 104 8.821 -6.897 9.025 1.00 0.00 H new ATOM 0 HB2 GLU A 104 10.346 -5.571 6.771 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.990 -6.773 7.872 1.00 0.00 H new ATOM 0 HG2 GLU A 104 8.629 -7.237 6.036 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.283 -7.656 5.638 1.00 0.00 H new ATOM 319 N ASP A 105 9.546 -3.743 8.937 1.00 0.00 N ATOM 320 CA ASP A 105 10.151 -2.708 9.777 1.00 0.00 C ATOM 321 C ASP A 105 9.113 -1.757 10.316 1.00 0.00 C ATOM 322 O ASP A 105 9.350 -1.031 11.278 1.00 0.00 O ATOM 323 CB ASP A 105 11.209 -1.937 9.000 1.00 0.00 C ATOM 324 CG ASP A 105 12.078 -1.089 9.900 1.00 0.00 C ATOM 325 OD1 ASP A 105 12.817 -1.647 10.730 1.00 0.00 O ATOM 326 OD2 ASP A 105 12.059 0.136 9.783 1.00 0.00 O ATOM 0 H ASP A 105 9.082 -3.414 8.090 1.00 0.00 H new ATOM 0 HA ASP A 105 10.624 -3.208 10.622 1.00 0.00 H new ATOM 0 HB2 ASP A 105 11.836 -2.639 8.450 1.00 0.00 H new ATOM 0 HB3 ASP A 105 10.722 -1.299 8.263 1.00 0.00 H new ATOM 331 N GLY A 106 7.952 -1.769 9.707 1.00 0.00 N ATOM 332 CA GLY A 106 6.887 -0.890 10.154 1.00 0.00 C ATOM 333 C GLY A 106 7.024 0.533 9.633 1.00 0.00 C ATOM 334 O GLY A 106 6.302 1.426 10.068 1.00 0.00 O ATOM 0 H GLY A 106 7.718 -2.365 8.913 1.00 0.00 H new ATOM 0 HA2 GLY A 106 5.929 -1.297 9.831 1.00 0.00 H new ATOM 0 HA3 GLY A 106 6.874 -0.871 11.244 1.00 0.00 H new ATOM 338 N CYS A 107 7.956 0.756 8.735 1.00 0.00 N ATOM 339 CA CYS A 107 8.155 2.084 8.185 1.00 0.00 C ATOM 340 C CYS A 107 7.365 2.323 6.905 1.00 0.00 C ATOM 341 O CYS A 107 6.947 1.370 6.235 1.00 0.00 O ATOM 342 CB CYS A 107 9.624 2.346 7.966 1.00 0.00 C ATOM 343 SG CYS A 107 10.563 2.555 9.480 1.00 0.00 S ATOM 0 H CYS A 107 8.586 0.042 8.369 1.00 0.00 H new ATOM 0 HA CYS A 107 7.770 2.792 8.919 1.00 0.00 H new ATOM 0 HB2 CYS A 107 10.049 1.518 7.398 1.00 0.00 H new ATOM 0 HB3 CYS A 107 9.735 3.242 7.355 1.00 0.00 H new ATOM 0 HG CYS A 107 11.472 1.629 9.558 1.00 0.00 H new ATOM 349 N ILE A 108 7.167 3.597 6.579 1.00 0.00 N ATOM 350 CA ILE A 108 6.500 4.011 5.355 1.00 0.00 C ATOM 351 C ILE A 108 7.472 3.886 4.200 1.00 0.00 C ATOM 352 O ILE A 108 8.618 4.344 4.293 1.00 0.00 O ATOM 353 CB ILE A 108 6.049 5.508 5.397 1.00 0.00 C ATOM 354 CG1 ILE A 108 5.063 5.792 6.523 1.00 0.00 C ATOM 355 CG2 ILE A 108 5.423 5.890 4.067 1.00 0.00 C ATOM 356 CD1 ILE A 108 3.661 5.284 6.269 1.00 0.00 C ATOM 0 H ILE A 108 7.469 4.376 7.164 1.00 0.00 H new ATOM 0 HA ILE A 108 5.623 3.374 5.240 1.00 0.00 H new ATOM 0 HB ILE A 108 6.939 6.108 5.586 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.439 5.341 7.441 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.022 6.868 6.690 1.00 0.00 H new ATOM 0 HG21 ILE A 108 5.110 6.933 4.099 1.00 0.00 H new ATOM 0 HG22 ILE A 108 6.153 5.755 3.269 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.556 5.257 3.877 1.00 0.00 H new ATOM 0 HD11 ILE A 108 3.026 5.529 7.120 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.261 5.754 5.371 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.685 4.203 6.133 1.00 0.00 H new ATOM 368 N TYR A 109 7.037 3.271 3.152 1.00 0.00 N ATOM 369 CA TYR A 109 7.809 3.161 1.935 1.00 0.00 C ATOM 370 C TYR A 109 6.901 3.341 0.736 1.00 0.00 C ATOM 371 O TYR A 109 5.699 3.028 0.820 1.00 0.00 O ATOM 372 CB TYR A 109 8.530 1.822 1.851 1.00 0.00 C ATOM 373 CG TYR A 109 9.646 1.647 2.846 1.00 0.00 C ATOM 374 CD1 TYR A 109 10.911 2.145 2.587 1.00 0.00 C ATOM 375 CD2 TYR A 109 9.442 0.956 4.028 1.00 0.00 C ATOM 376 CE1 TYR A 109 11.941 1.964 3.482 1.00 0.00 C ATOM 377 CE2 TYR A 109 10.460 0.760 4.920 1.00 0.00 C ATOM 378 CZ TYR A 109 11.710 1.267 4.651 1.00 0.00 C ATOM 379 OH TYR A 109 12.737 1.066 5.543 1.00 0.00 O ATOM 0 H TYR A 109 6.123 2.820 3.104 1.00 0.00 H new ATOM 0 HA TYR A 109 8.566 3.945 1.940 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.803 1.023 1.996 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.935 1.705 0.846 1.00 0.00 H new ATOM 0 HD1 TYR A 109 11.093 2.684 1.669 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.460 0.564 4.250 1.00 0.00 H new ATOM 0 HE1 TYR A 109 12.922 2.364 3.271 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.283 0.209 5.832 1.00 0.00 H new ATOM 0 HH TYR A 109 12.406 0.559 6.314 1.00 0.00 H new ATOM 389 N PRO A 110 7.433 3.887 -0.379 1.00 0.00 N ATOM 390 CA PRO A 110 6.659 4.092 -1.602 1.00 0.00 C ATOM 391 C PRO A 110 6.309 2.760 -2.259 1.00 0.00 C ATOM 392 O PRO A 110 7.182 1.915 -2.496 1.00 0.00 O ATOM 393 CB PRO A 110 7.609 4.896 -2.503 1.00 0.00 C ATOM 394 CG PRO A 110 8.976 4.568 -2.005 1.00 0.00 C ATOM 395 CD PRO A 110 8.836 4.336 -0.530 1.00 0.00 C ATOM 0 HA PRO A 110 5.711 4.597 -1.416 1.00 0.00 H new ATOM 0 HB2 PRO A 110 7.492 4.617 -3.550 1.00 0.00 H new ATOM 0 HB3 PRO A 110 7.409 5.965 -2.434 1.00 0.00 H new ATOM 0 HG2 PRO A 110 9.370 3.682 -2.503 1.00 0.00 H new ATOM 0 HG3 PRO A 110 9.671 5.383 -2.207 1.00 0.00 H new ATOM 0 HD2 PRO A 110 9.539 3.582 -0.174 1.00 0.00 H new ATOM 0 HD3 PRO A 110 9.029 5.245 0.039 1.00 0.00 H new ATOM 403 N ALA A 111 5.061 2.568 -2.546 1.00 0.00 N ATOM 404 CA ALA A 111 4.608 1.351 -3.134 1.00 0.00 C ATOM 405 C ALA A 111 3.479 1.619 -4.086 1.00 0.00 C ATOM 406 O ALA A 111 2.712 2.547 -3.900 1.00 0.00 O ATOM 407 CB ALA A 111 4.167 0.380 -2.061 1.00 0.00 C ATOM 0 H ALA A 111 4.326 3.254 -2.378 1.00 0.00 H new ATOM 0 HA ALA A 111 5.434 0.907 -3.689 1.00 0.00 H new ATOM 0 HB1 ALA A 111 3.824 -0.544 -2.526 1.00 0.00 H new ATOM 0 HB2 ALA A 111 5.006 0.164 -1.399 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.353 0.820 -1.484 1.00 0.00 H new ATOM 413 N THR A 112 3.360 0.822 -5.085 1.00 0.00 N ATOM 414 CA THR A 112 2.302 0.998 -6.028 1.00 0.00 C ATOM 415 C THR A 112 1.338 -0.177 -5.880 1.00 0.00 C ATOM 416 O THR A 112 1.754 -1.282 -5.540 1.00 0.00 O ATOM 417 CB THR A 112 2.885 1.046 -7.458 1.00 0.00 C ATOM 418 OG1 THR A 112 4.059 1.900 -7.461 1.00 0.00 O ATOM 419 CG2 THR A 112 1.870 1.632 -8.424 1.00 0.00 C ATOM 0 H THR A 112 3.982 0.036 -5.276 1.00 0.00 H new ATOM 0 HA THR A 112 1.773 1.934 -5.845 1.00 0.00 H new ATOM 0 HB THR A 112 3.140 0.032 -7.767 1.00 0.00 H new ATOM 0 HG1 THR A 112 4.436 1.934 -8.365 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.296 1.659 -9.427 1.00 0.00 H new ATOM 0 HG22 THR A 112 0.972 1.014 -8.427 1.00 0.00 H new ATOM 0 HG23 THR A 112 1.613 2.644 -8.112 1.00 0.00 H new ATOM 427 N ILE A 113 0.080 0.065 -6.109 1.00 0.00 N ATOM 428 CA ILE A 113 -0.935 -0.952 -5.962 1.00 0.00 C ATOM 429 C ILE A 113 -0.949 -1.875 -7.165 1.00 0.00 C ATOM 430 O ILE A 113 -1.186 -1.431 -8.292 1.00 0.00 O ATOM 431 CB ILE A 113 -2.321 -0.314 -5.791 1.00 0.00 C ATOM 432 CG1 ILE A 113 -2.300 0.654 -4.611 1.00 0.00 C ATOM 433 CG2 ILE A 113 -3.367 -1.394 -5.575 1.00 0.00 C ATOM 434 CD1 ILE A 113 -3.557 1.458 -4.466 1.00 0.00 C ATOM 0 H ILE A 113 -0.278 0.974 -6.404 1.00 0.00 H new ATOM 0 HA ILE A 113 -0.697 -1.533 -5.071 1.00 0.00 H new ATOM 0 HB ILE A 113 -2.577 0.239 -6.694 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -2.133 0.090 -3.693 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -1.456 1.334 -4.726 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -4.347 -0.932 -5.455 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -3.384 -2.062 -6.436 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -3.122 -1.964 -4.679 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -3.467 2.122 -3.607 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -3.716 2.050 -5.367 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -4.403 0.787 -4.319 1.00 0.00 H new ATOM 446 N ALA A 114 -0.721 -3.140 -6.915 1.00 0.00 N ATOM 447 CA ALA A 114 -0.676 -4.139 -7.955 1.00 0.00 C ATOM 448 C ALA A 114 -2.027 -4.809 -8.106 1.00 0.00 C ATOM 449 O ALA A 114 -2.404 -5.228 -9.192 1.00 0.00 O ATOM 450 CB ALA A 114 0.391 -5.174 -7.648 1.00 0.00 C ATOM 0 H ALA A 114 -0.560 -3.509 -5.978 1.00 0.00 H new ATOM 0 HA ALA A 114 -0.425 -3.647 -8.895 1.00 0.00 H new ATOM 0 HB1 ALA A 114 0.413 -5.921 -8.442 1.00 0.00 H new ATOM 0 HB2 ALA A 114 1.363 -4.686 -7.583 1.00 0.00 H new ATOM 0 HB3 ALA A 114 0.164 -5.660 -6.699 1.00 0.00 H new ATOM 456 N SER A 115 -2.755 -4.927 -7.014 1.00 0.00 N ATOM 457 CA SER A 115 -4.076 -5.542 -7.033 1.00 0.00 C ATOM 458 C SER A 115 -4.852 -5.112 -5.814 1.00 0.00 C ATOM 459 O SER A 115 -4.265 -4.907 -4.772 1.00 0.00 O ATOM 460 CB SER A 115 -3.969 -7.073 -7.035 1.00 0.00 C ATOM 461 OG SER A 115 -3.304 -7.558 -8.197 1.00 0.00 O ATOM 0 H SER A 115 -2.455 -4.604 -6.094 1.00 0.00 H new ATOM 0 HA SER A 115 -4.587 -5.221 -7.941 1.00 0.00 H new ATOM 0 HB2 SER A 115 -3.431 -7.400 -6.146 1.00 0.00 H new ATOM 0 HB3 SER A 115 -4.968 -7.507 -6.981 1.00 0.00 H new ATOM 0 HG SER A 115 -3.149 -6.816 -8.819 1.00 0.00 H new ATOM 467 N ILE A 116 -6.140 -4.941 -5.957 1.00 0.00 N ATOM 468 CA ILE A 116 -6.998 -4.604 -4.860 1.00 0.00 C ATOM 469 C ILE A 116 -8.056 -5.657 -4.692 1.00 0.00 C ATOM 470 O ILE A 116 -8.639 -6.121 -5.671 1.00 0.00 O ATOM 471 CB ILE A 116 -7.703 -3.262 -5.092 1.00 0.00 C ATOM 472 CG1 ILE A 116 -6.691 -2.144 -5.205 1.00 0.00 C ATOM 473 CG2 ILE A 116 -8.709 -2.978 -3.984 1.00 0.00 C ATOM 474 CD1 ILE A 116 -7.295 -0.832 -5.530 1.00 0.00 C ATOM 0 H ILE A 116 -6.625 -5.034 -6.850 1.00 0.00 H new ATOM 0 HA ILE A 116 -6.373 -4.536 -3.970 1.00 0.00 H new ATOM 0 HB ILE A 116 -8.251 -3.321 -6.032 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -6.146 -2.061 -4.265 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -5.962 -2.400 -5.974 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -9.196 -2.021 -4.171 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -9.459 -3.769 -3.962 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -8.193 -2.941 -3.025 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -6.512 -0.077 -5.596 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -7.816 -0.898 -6.485 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -8.003 -0.554 -4.749 1.00 0.00 H new ATOM 486 N ASP A 117 -8.272 -6.057 -3.481 1.00 0.00 N ATOM 487 CA ASP A 117 -9.344 -6.937 -3.162 1.00 0.00 C ATOM 488 C ASP A 117 -10.320 -6.177 -2.315 1.00 0.00 C ATOM 489 O ASP A 117 -10.107 -6.010 -1.114 1.00 0.00 O ATOM 490 CB ASP A 117 -8.902 -8.188 -2.439 1.00 0.00 C ATOM 491 CG ASP A 117 -9.991 -9.213 -2.467 1.00 0.00 C ATOM 492 OD1 ASP A 117 -10.058 -9.975 -3.445 1.00 0.00 O ATOM 493 OD2 ASP A 117 -10.809 -9.266 -1.543 1.00 0.00 O ATOM 0 H ASP A 117 -7.704 -5.779 -2.681 1.00 0.00 H new ATOM 0 HA ASP A 117 -9.794 -7.276 -4.095 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -8.003 -8.589 -2.907 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.644 -7.949 -1.407 1.00 0.00 H new ATOM 498 N PHE A 118 -11.358 -5.684 -2.923 1.00 0.00 N ATOM 499 CA PHE A 118 -12.337 -4.879 -2.222 1.00 0.00 C ATOM 500 C PHE A 118 -13.109 -5.712 -1.214 1.00 0.00 C ATOM 501 O PHE A 118 -13.621 -5.177 -0.237 1.00 0.00 O ATOM 502 CB PHE A 118 -13.286 -4.189 -3.197 1.00 0.00 C ATOM 503 CG PHE A 118 -12.606 -3.228 -4.149 1.00 0.00 C ATOM 504 CD1 PHE A 118 -12.235 -1.951 -3.735 1.00 0.00 C ATOM 505 CD2 PHE A 118 -12.342 -3.600 -5.458 1.00 0.00 C ATOM 506 CE1 PHE A 118 -11.620 -1.073 -4.607 1.00 0.00 C ATOM 507 CE2 PHE A 118 -11.729 -2.723 -6.334 1.00 0.00 C ATOM 508 CZ PHE A 118 -11.369 -1.459 -5.910 1.00 0.00 C ATOM 0 H PHE A 118 -11.557 -5.823 -3.914 1.00 0.00 H new ATOM 0 HA PHE A 118 -11.797 -4.105 -1.677 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -13.809 -4.949 -3.778 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -14.042 -3.646 -2.629 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -12.431 -1.643 -2.719 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -12.619 -4.587 -5.798 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -11.336 -0.087 -4.271 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -11.531 -3.027 -7.351 1.00 0.00 H new ATOM 0 HZ PHE A 118 -10.892 -0.774 -6.595 1.00 0.00 H new ATOM 518 N LYS A 119 -13.171 -7.019 -1.430 1.00 0.00 N ATOM 519 CA LYS A 119 -13.850 -7.896 -0.499 1.00 0.00 C ATOM 520 C LYS A 119 -13.108 -7.957 0.828 1.00 0.00 C ATOM 521 O LYS A 119 -13.725 -7.899 1.894 1.00 0.00 O ATOM 522 CB LYS A 119 -14.032 -9.285 -1.097 1.00 0.00 C ATOM 523 CG LYS A 119 -14.983 -9.318 -2.280 1.00 0.00 C ATOM 524 CD LYS A 119 -16.402 -8.974 -1.848 1.00 0.00 C ATOM 525 CE LYS A 119 -17.378 -9.027 -3.007 1.00 0.00 C ATOM 526 NZ LYS A 119 -18.751 -8.673 -2.583 1.00 0.00 N ATOM 0 H LYS A 119 -12.761 -7.488 -2.237 1.00 0.00 H new ATOM 0 HA LYS A 119 -14.841 -7.486 -0.306 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -13.060 -9.666 -1.412 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -14.403 -9.958 -0.324 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -14.649 -8.612 -3.040 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -14.968 -10.308 -2.736 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -16.723 -9.669 -1.072 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -16.415 -7.977 -1.408 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -17.051 -8.343 -3.790 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -17.377 -10.028 -3.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -19.390 -8.720 -3.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -19.072 -9.341 -1.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -18.757 -7.708 -2.195 1.00 0.00 H new ATOM 540 N ARG A 120 -11.791 -8.004 0.768 1.00 0.00 N ATOM 541 CA ARG A 120 -10.993 -8.015 1.990 1.00 0.00 C ATOM 542 C ARG A 120 -10.699 -6.591 2.437 1.00 0.00 C ATOM 543 O ARG A 120 -10.203 -6.375 3.553 1.00 0.00 O ATOM 544 CB ARG A 120 -9.652 -8.698 1.759 1.00 0.00 C ATOM 545 CG ARG A 120 -9.697 -10.118 1.264 1.00 0.00 C ATOM 546 CD ARG A 120 -8.291 -10.604 0.963 1.00 0.00 C ATOM 547 NE ARG A 120 -8.283 -11.933 0.359 1.00 0.00 N ATOM 548 CZ ARG A 120 -7.262 -12.454 -0.332 1.00 0.00 C ATOM 549 NH1 ARG A 120 -6.125 -11.766 -0.500 1.00 0.00 N ATOM 550 NH2 ARG A 120 -7.371 -13.677 -0.845 1.00 0.00 N ATOM 0 H ARG A 120 -11.252 -8.035 -0.098 1.00 0.00 H new ATOM 0 HA ARG A 120 -11.566 -8.553 2.745 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -9.086 -8.104 1.041 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -9.095 -8.681 2.696 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -10.160 -10.759 2.014 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -10.313 -10.180 0.367 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -7.801 -9.899 0.292 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -7.710 -10.623 1.885 1.00 0.00 H new ATOM 0 HE ARG A 120 -9.118 -12.508 0.472 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -6.029 -10.833 -0.099 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -5.355 -12.175 -1.029 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -8.229 -14.212 -0.711 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -6.596 -14.080 -1.373 1.00 0.00 H new ATOM 564 N GLU A 121 -11.047 -5.624 1.568 1.00 0.00 N ATOM 565 CA GLU A 121 -10.776 -4.191 1.750 1.00 0.00 C ATOM 566 C GLU A 121 -9.244 -3.978 1.773 1.00 0.00 C ATOM 567 O GLU A 121 -8.720 -3.007 2.343 1.00 0.00 O ATOM 568 CB GLU A 121 -11.416 -3.685 3.049 1.00 0.00 C ATOM 569 CG GLU A 121 -11.553 -2.178 3.144 1.00 0.00 C ATOM 570 CD GLU A 121 -12.619 -1.639 2.234 1.00 0.00 C ATOM 571 OE1 GLU A 121 -13.812 -1.884 2.505 1.00 0.00 O ATOM 572 OE2 GLU A 121 -12.304 -0.920 1.274 1.00 0.00 O ATOM 0 H GLU A 121 -11.538 -5.826 0.697 1.00 0.00 H new ATOM 0 HA GLU A 121 -11.210 -3.624 0.926 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -12.405 -4.133 3.149 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -10.820 -4.036 3.892 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -11.784 -1.902 4.173 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -10.599 -1.713 2.896 1.00 0.00 H new ATOM 579 N THR A 122 -8.535 -4.864 1.112 1.00 0.00 N ATOM 580 CA THR A 122 -7.105 -4.830 1.112 1.00 0.00 C ATOM 581 C THR A 122 -6.569 -4.806 -0.306 1.00 0.00 C ATOM 582 O THR A 122 -7.302 -5.033 -1.251 1.00 0.00 O ATOM 583 CB THR A 122 -6.515 -6.033 1.876 1.00 0.00 C ATOM 584 OG1 THR A 122 -6.992 -7.261 1.317 1.00 0.00 O ATOM 585 CG2 THR A 122 -6.862 -5.983 3.352 1.00 0.00 C ATOM 0 H THR A 122 -8.939 -5.623 0.563 1.00 0.00 H new ATOM 0 HA THR A 122 -6.799 -3.917 1.622 1.00 0.00 H new ATOM 0 HB THR A 122 -5.431 -5.981 1.776 1.00 0.00 H new ATOM 0 HG1 THR A 122 -6.595 -7.393 0.431 1.00 0.00 H new ATOM 0 HG21 THR A 122 -6.429 -6.847 3.857 1.00 0.00 H new ATOM 0 HG22 THR A 122 -6.461 -5.068 3.789 1.00 0.00 H new ATOM 0 HG23 THR A 122 -7.945 -5.998 3.472 1.00 0.00 H new ATOM 593 N CYS A 123 -5.324 -4.511 -0.445 1.00 0.00 N ATOM 594 CA CYS A 123 -4.680 -4.456 -1.711 1.00 0.00 C ATOM 595 C CYS A 123 -3.240 -4.853 -1.578 1.00 0.00 C ATOM 596 O CYS A 123 -2.645 -4.663 -0.535 1.00 0.00 O ATOM 597 CB CYS A 123 -4.799 -3.060 -2.269 1.00 0.00 C ATOM 598 SG CYS A 123 -4.300 -1.785 -1.105 1.00 0.00 S ATOM 0 H CYS A 123 -4.709 -4.295 0.339 1.00 0.00 H new ATOM 0 HA CYS A 123 -5.161 -5.155 -2.395 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -4.187 -2.982 -3.167 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -5.832 -2.883 -2.570 1.00 0.00 H new ATOM 0 HG CYS A 123 -4.273 -2.281 0.096 1.00 0.00 H new ATOM 604 N VAL A 124 -2.691 -5.382 -2.619 1.00 0.00 N ATOM 605 CA VAL A 124 -1.317 -5.779 -2.630 1.00 0.00 C ATOM 606 C VAL A 124 -0.527 -4.650 -3.235 1.00 0.00 C ATOM 607 O VAL A 124 -0.872 -4.152 -4.328 1.00 0.00 O ATOM 608 CB VAL A 124 -1.096 -7.075 -3.461 1.00 0.00 C ATOM 609 CG1 VAL A 124 0.368 -7.512 -3.427 1.00 0.00 C ATOM 610 CG2 VAL A 124 -1.995 -8.194 -2.960 1.00 0.00 C ATOM 0 H VAL A 124 -3.184 -5.554 -3.495 1.00 0.00 H new ATOM 0 HA VAL A 124 -0.995 -5.992 -1.611 1.00 0.00 H new ATOM 0 HB VAL A 124 -1.358 -6.855 -4.496 1.00 0.00 H new ATOM 0 HG11 VAL A 124 0.490 -8.420 -4.017 1.00 0.00 H new ATOM 0 HG12 VAL A 124 0.993 -6.722 -3.843 1.00 0.00 H new ATOM 0 HG13 VAL A 124 0.666 -7.706 -2.397 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -1.825 -9.091 -3.555 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -1.768 -8.403 -1.915 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -3.038 -7.891 -3.051 1.00 0.00 H new ATOM 620 N VAL A 125 0.512 -4.251 -2.563 1.00 0.00 N ATOM 621 CA VAL A 125 1.320 -3.167 -3.009 1.00 0.00 C ATOM 622 C VAL A 125 2.728 -3.652 -3.263 1.00 0.00 C ATOM 623 O VAL A 125 3.213 -4.579 -2.605 1.00 0.00 O ATOM 624 CB VAL A 125 1.361 -2.015 -1.953 1.00 0.00 C ATOM 625 CG1 VAL A 125 -0.030 -1.440 -1.701 1.00 0.00 C ATOM 626 CG2 VAL A 125 1.990 -2.493 -0.636 1.00 0.00 C ATOM 0 H VAL A 125 0.820 -4.673 -1.687 1.00 0.00 H new ATOM 0 HA VAL A 125 0.882 -2.780 -3.929 1.00 0.00 H new ATOM 0 HB VAL A 125 1.985 -1.221 -2.363 1.00 0.00 H new ATOM 0 HG11 VAL A 125 0.035 -0.641 -0.962 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -0.433 -1.041 -2.632 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -0.687 -2.226 -1.329 1.00 0.00 H new ATOM 0 HG21 VAL A 125 2.005 -1.671 0.079 1.00 0.00 H new ATOM 0 HG22 VAL A 125 1.403 -3.316 -0.230 1.00 0.00 H new ATOM 0 HG23 VAL A 125 3.009 -2.831 -0.821 1.00 0.00 H new ATOM 636 N VAL A 126 3.341 -3.069 -4.245 1.00 0.00 N ATOM 637 CA VAL A 126 4.692 -3.372 -4.604 1.00 0.00 C ATOM 638 C VAL A 126 5.555 -2.201 -4.231 1.00 0.00 C ATOM 639 O VAL A 126 5.339 -1.093 -4.718 1.00 0.00 O ATOM 640 CB VAL A 126 4.854 -3.637 -6.120 1.00 0.00 C ATOM 641 CG1 VAL A 126 6.317 -3.908 -6.457 1.00 0.00 C ATOM 642 CG2 VAL A 126 3.981 -4.797 -6.566 1.00 0.00 C ATOM 0 H VAL A 126 2.908 -2.355 -4.831 1.00 0.00 H new ATOM 0 HA VAL A 126 4.985 -4.278 -4.074 1.00 0.00 H new ATOM 0 HB VAL A 126 4.531 -2.746 -6.658 1.00 0.00 H new ATOM 0 HG11 VAL A 126 6.416 -4.093 -7.527 1.00 0.00 H new ATOM 0 HG12 VAL A 126 6.920 -3.043 -6.181 1.00 0.00 H new ATOM 0 HG13 VAL A 126 6.662 -4.782 -5.905 1.00 0.00 H new ATOM 0 HG21 VAL A 126 4.114 -4.962 -7.635 1.00 0.00 H new ATOM 0 HG22 VAL A 126 4.266 -5.697 -6.022 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.936 -4.565 -6.362 1.00 0.00 H new ATOM 652 N TYR A 127 6.494 -2.430 -3.362 1.00 0.00 N ATOM 653 CA TYR A 127 7.389 -1.392 -2.923 1.00 0.00 C ATOM 654 C TYR A 127 8.351 -1.017 -4.016 1.00 0.00 C ATOM 655 O TYR A 127 9.131 -1.863 -4.517 1.00 0.00 O ATOM 656 CB TYR A 127 8.135 -1.803 -1.678 1.00 0.00 C ATOM 657 CG TYR A 127 7.230 -2.034 -0.510 1.00 0.00 C ATOM 658 CD1 TYR A 127 6.810 -0.967 0.254 1.00 0.00 C ATOM 659 CD2 TYR A 127 6.794 -3.312 -0.166 1.00 0.00 C ATOM 660 CE1 TYR A 127 5.987 -1.145 1.326 1.00 0.00 C ATOM 661 CE2 TYR A 127 5.966 -3.501 0.906 1.00 0.00 C ATOM 662 CZ TYR A 127 5.565 -2.402 1.655 1.00 0.00 C ATOM 663 OH TYR A 127 4.727 -2.552 2.726 1.00 0.00 O ATOM 0 H TYR A 127 6.664 -3.341 -2.935 1.00 0.00 H new ATOM 0 HA TYR A 127 6.786 -0.517 -2.680 1.00 0.00 H new ATOM 0 HB2 TYR A 127 8.698 -2.714 -1.881 1.00 0.00 H new ATOM 0 HB3 TYR A 127 8.860 -1.030 -1.423 1.00 0.00 H new ATOM 0 HD1 TYR A 127 7.139 0.029 -0.001 1.00 0.00 H new ATOM 0 HD2 TYR A 127 7.113 -4.162 -0.752 1.00 0.00 H new ATOM 0 HE1 TYR A 127 5.670 -0.296 1.913 1.00 0.00 H new ATOM 0 HE2 TYR A 127 5.628 -4.493 1.167 1.00 0.00 H new ATOM 0 HH TYR A 127 4.535 -1.674 3.116 1.00 0.00 H new ATOM 673 N THR A 128 8.304 0.230 -4.372 1.00 0.00 N ATOM 674 CA THR A 128 9.091 0.768 -5.422 1.00 0.00 C ATOM 675 C THR A 128 10.566 0.791 -5.013 1.00 0.00 C ATOM 676 O THR A 128 10.915 1.212 -3.906 1.00 0.00 O ATOM 677 CB THR A 128 8.610 2.191 -5.734 1.00 0.00 C ATOM 678 OG1 THR A 128 7.182 2.161 -5.948 1.00 0.00 O ATOM 679 CG2 THR A 128 9.297 2.713 -6.979 1.00 0.00 C ATOM 0 H THR A 128 7.697 0.916 -3.923 1.00 0.00 H new ATOM 0 HA THR A 128 8.986 0.146 -6.311 1.00 0.00 H new ATOM 0 HB THR A 128 8.851 2.849 -4.899 1.00 0.00 H new ATOM 0 HG1 THR A 128 6.862 3.066 -6.147 1.00 0.00 H new ATOM 0 HG21 THR A 128 8.948 3.724 -7.191 1.00 0.00 H new ATOM 0 HG22 THR A 128 10.375 2.727 -6.821 1.00 0.00 H new ATOM 0 HG23 THR A 128 9.063 2.064 -7.823 1.00 0.00 H new ATOM 687 N GLY A 129 11.409 0.299 -5.887 1.00 0.00 N ATOM 688 CA GLY A 129 12.822 0.264 -5.626 1.00 0.00 C ATOM 689 C GLY A 129 13.244 -1.051 -5.024 1.00 0.00 C ATOM 690 O GLY A 129 14.427 -1.395 -5.006 1.00 0.00 O ATOM 0 H GLY A 129 11.136 -0.085 -6.792 1.00 0.00 H new ATOM 0 HA2 GLY A 129 13.368 0.431 -6.554 1.00 0.00 H new ATOM 0 HA3 GLY A 129 13.088 1.076 -4.949 1.00 0.00 H new ATOM 694 N TYR A 130 12.295 -1.779 -4.502 1.00 0.00 N ATOM 695 CA TYR A 130 12.590 -3.045 -3.892 1.00 0.00 C ATOM 696 C TYR A 130 12.038 -4.193 -4.700 1.00 0.00 C ATOM 697 O TYR A 130 12.750 -5.149 -4.996 1.00 0.00 O ATOM 698 CB TYR A 130 12.072 -3.077 -2.466 1.00 0.00 C ATOM 699 CG TYR A 130 12.640 -1.964 -1.623 1.00 0.00 C ATOM 700 CD1 TYR A 130 13.922 -2.047 -1.111 1.00 0.00 C ATOM 701 CD2 TYR A 130 11.896 -0.824 -1.353 1.00 0.00 C ATOM 702 CE1 TYR A 130 14.449 -1.029 -0.347 1.00 0.00 C ATOM 703 CE2 TYR A 130 12.413 0.199 -0.592 1.00 0.00 C ATOM 704 CZ TYR A 130 13.693 0.091 -0.089 1.00 0.00 C ATOM 705 OH TYR A 130 14.226 1.106 0.677 1.00 0.00 O ATOM 0 H TYR A 130 11.310 -1.516 -4.487 1.00 0.00 H new ATOM 0 HA TYR A 130 13.673 -3.163 -3.867 1.00 0.00 H new ATOM 0 HB2 TYR A 130 10.985 -3.003 -2.476 1.00 0.00 H new ATOM 0 HB3 TYR A 130 12.322 -4.036 -2.013 1.00 0.00 H new ATOM 0 HD1 TYR A 130 14.519 -2.924 -1.313 1.00 0.00 H new ATOM 0 HD2 TYR A 130 10.894 -0.738 -1.747 1.00 0.00 H new ATOM 0 HE1 TYR A 130 15.451 -1.110 0.048 1.00 0.00 H new ATOM 0 HE2 TYR A 130 11.821 1.080 -0.390 1.00 0.00 H new ATOM 0 HH TYR A 130 13.627 1.298 1.428 1.00 0.00 H new ATOM 715 N GLY A 131 10.787 -4.099 -5.077 1.00 0.00 N ATOM 716 CA GLY A 131 10.179 -5.167 -5.838 1.00 0.00 C ATOM 717 C GLY A 131 9.452 -6.136 -4.943 1.00 0.00 C ATOM 718 O GLY A 131 9.048 -7.219 -5.373 1.00 0.00 O ATOM 0 H GLY A 131 10.176 -3.308 -4.874 1.00 0.00 H new ATOM 0 HA2 GLY A 131 9.483 -4.747 -6.564 1.00 0.00 H new ATOM 0 HA3 GLY A 131 10.947 -5.696 -6.402 1.00 0.00 H new ATOM 722 N ASN A 132 9.297 -5.754 -3.698 1.00 0.00 N ATOM 723 CA ASN A 132 8.559 -6.555 -2.730 1.00 0.00 C ATOM 724 C ASN A 132 7.099 -6.278 -2.872 1.00 0.00 C ATOM 725 O ASN A 132 6.716 -5.190 -3.277 1.00 0.00 O ATOM 726 CB ASN A 132 8.945 -6.221 -1.295 1.00 0.00 C ATOM 727 CG ASN A 132 10.218 -6.855 -0.784 1.00 0.00 C ATOM 728 OD1 ASN A 132 11.163 -7.138 -1.533 1.00 0.00 O ATOM 729 ND2 ASN A 132 10.269 -7.036 0.510 1.00 0.00 N ATOM 0 H ASN A 132 9.674 -4.884 -3.321 1.00 0.00 H new ATOM 0 HA ASN A 132 8.798 -7.600 -2.930 1.00 0.00 H new ATOM 0 HB2 ASN A 132 9.042 -5.139 -1.209 1.00 0.00 H new ATOM 0 HB3 ASN A 132 8.126 -6.520 -0.641 1.00 0.00 H new ATOM 0 HD21 ASN A 132 11.110 -7.424 0.938 1.00 0.00 H new ATOM 0 HD22 ASN A 132 9.468 -6.789 1.091 1.00 0.00 H new ATOM 736 N ARG A 133 6.296 -7.227 -2.518 1.00 0.00 N ATOM 737 CA ARG A 133 4.870 -7.072 -2.590 1.00 0.00 C ATOM 738 C ARG A 133 4.230 -7.637 -1.338 1.00 0.00 C ATOM 739 O ARG A 133 4.629 -8.700 -0.860 1.00 0.00 O ATOM 740 CB ARG A 133 4.313 -7.696 -3.902 1.00 0.00 C ATOM 741 CG ARG A 133 4.626 -9.181 -4.136 1.00 0.00 C ATOM 742 CD ARG A 133 3.659 -10.116 -3.417 1.00 0.00 C ATOM 743 NE ARG A 133 4.043 -11.516 -3.582 1.00 0.00 N ATOM 744 CZ ARG A 133 3.357 -12.570 -3.117 1.00 0.00 C ATOM 745 NH1 ARG A 133 2.266 -12.395 -2.381 1.00 0.00 N ATOM 746 NH2 ARG A 133 3.781 -13.796 -3.363 1.00 0.00 N ATOM 0 H ARG A 133 6.605 -8.135 -2.170 1.00 0.00 H new ATOM 0 HA ARG A 133 4.615 -6.013 -2.630 1.00 0.00 H new ATOM 0 HB2 ARG A 133 3.230 -7.570 -3.908 1.00 0.00 H new ATOM 0 HB3 ARG A 133 4.705 -7.127 -4.745 1.00 0.00 H new ATOM 0 HG2 ARG A 133 4.595 -9.389 -5.206 1.00 0.00 H new ATOM 0 HG3 ARG A 133 5.642 -9.390 -3.800 1.00 0.00 H new ATOM 0 HD2 ARG A 133 3.633 -9.868 -2.356 1.00 0.00 H new ATOM 0 HD3 ARG A 133 2.651 -9.966 -3.804 1.00 0.00 H new ATOM 0 HE ARG A 133 4.905 -11.707 -4.093 1.00 0.00 H new ATOM 0 HH11 ARG A 133 1.943 -11.452 -2.165 1.00 0.00 H new ATOM 0 HH12 ARG A 133 1.751 -13.203 -2.032 1.00 0.00 H new ATOM 0 HH21 ARG A 133 4.631 -13.942 -3.907 1.00 0.00 H new ATOM 0 HH22 ARG A 133 3.258 -14.597 -3.009 1.00 0.00 H new ATOM 760 N GLU A 134 3.293 -6.919 -0.792 1.00 0.00 N ATOM 761 CA GLU A 134 2.599 -7.337 0.408 1.00 0.00 C ATOM 762 C GLU A 134 1.225 -6.689 0.435 1.00 0.00 C ATOM 763 O GLU A 134 0.985 -5.734 -0.306 1.00 0.00 O ATOM 764 CB GLU A 134 3.414 -7.070 1.672 1.00 0.00 C ATOM 765 CG GLU A 134 3.375 -5.681 2.182 1.00 0.00 C ATOM 766 CD GLU A 134 4.344 -5.485 3.325 1.00 0.00 C ATOM 767 OE1 GLU A 134 5.406 -6.126 3.348 1.00 0.00 O ATOM 768 OE2 GLU A 134 4.062 -4.698 4.237 1.00 0.00 O ATOM 0 H GLU A 134 2.981 -6.021 -1.162 1.00 0.00 H new ATOM 0 HA GLU A 134 2.467 -8.419 0.388 1.00 0.00 H new ATOM 0 HB2 GLU A 134 3.058 -7.736 2.458 1.00 0.00 H new ATOM 0 HB3 GLU A 134 4.453 -7.336 1.475 1.00 0.00 H new ATOM 0 HG2 GLU A 134 3.617 -4.989 1.375 1.00 0.00 H new ATOM 0 HG3 GLU A 134 2.365 -5.442 2.515 1.00 0.00 H new ATOM 775 N GLU A 135 0.320 -7.254 1.177 1.00 0.00 N ATOM 776 CA GLU A 135 -1.038 -6.803 1.193 1.00 0.00 C ATOM 777 C GLU A 135 -1.320 -5.850 2.364 1.00 0.00 C ATOM 778 O GLU A 135 -1.036 -6.151 3.537 1.00 0.00 O ATOM 779 CB GLU A 135 -1.968 -7.980 1.268 1.00 0.00 C ATOM 780 CG GLU A 135 -3.363 -7.642 0.811 1.00 0.00 C ATOM 781 CD GLU A 135 -4.336 -8.788 0.879 1.00 0.00 C ATOM 782 OE1 GLU A 135 -4.928 -9.014 1.956 1.00 0.00 O ATOM 783 OE2 GLU A 135 -4.578 -9.449 -0.152 1.00 0.00 O ATOM 0 H GLU A 135 0.505 -8.046 1.792 1.00 0.00 H new ATOM 0 HA GLU A 135 -1.207 -6.251 0.268 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -1.574 -8.790 0.654 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -2.004 -8.346 2.294 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -3.743 -6.822 1.421 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -3.318 -7.281 -0.216 1.00 0.00 H new ATOM 790 N GLN A 136 -1.919 -4.749 2.029 1.00 0.00 N ATOM 791 CA GLN A 136 -2.281 -3.685 2.957 1.00 0.00 C ATOM 792 C GLN A 136 -3.735 -3.366 2.840 1.00 0.00 C ATOM 793 O GLN A 136 -4.353 -3.717 1.867 1.00 0.00 O ATOM 794 CB GLN A 136 -1.470 -2.396 2.736 1.00 0.00 C ATOM 795 CG GLN A 136 -0.194 -2.327 3.539 1.00 0.00 C ATOM 796 CD GLN A 136 0.976 -2.975 2.883 1.00 0.00 C ATOM 797 OE1 GLN A 136 0.850 -3.864 2.089 1.00 0.00 O ATOM 798 NE2 GLN A 136 2.117 -2.582 3.288 1.00 0.00 N ATOM 0 H GLN A 136 -2.186 -4.544 1.066 1.00 0.00 H new ATOM 0 HA GLN A 136 -2.050 -4.058 3.955 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -1.226 -2.310 1.677 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -2.094 -1.539 2.990 1.00 0.00 H new ATOM 0 HG2 GLN A 136 0.045 -1.281 3.731 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -0.361 -2.799 4.507 1.00 0.00 H new ATOM 0 HE21 GLN A 136 2.184 -1.822 3.965 1.00 0.00 H new ATOM 0 HE22 GLN A 136 2.964 -3.027 2.936 1.00 0.00 H new ATOM 807 N ASN A 137 -4.275 -2.688 3.814 1.00 0.00 N ATOM 808 CA ASN A 137 -5.683 -2.315 3.787 1.00 0.00 C ATOM 809 C ASN A 137 -5.820 -1.047 2.994 1.00 0.00 C ATOM 810 O ASN A 137 -4.944 -0.196 3.055 1.00 0.00 O ATOM 811 CB ASN A 137 -6.248 -2.076 5.203 1.00 0.00 C ATOM 812 CG ASN A 137 -6.051 -3.245 6.154 1.00 0.00 C ATOM 813 OD1 ASN A 137 -6.887 -4.132 6.245 1.00 0.00 O ATOM 814 ND2 ASN A 137 -4.963 -3.240 6.889 1.00 0.00 N ATOM 0 H ASN A 137 -3.770 -2.376 4.643 1.00 0.00 H new ATOM 0 HA ASN A 137 -6.244 -3.134 3.337 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -5.773 -1.192 5.628 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -7.314 -1.860 5.126 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -4.797 -3.991 7.559 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -4.284 -2.485 6.790 1.00 0.00 H new ATOM 821 N LEU A 138 -6.906 -0.913 2.265 1.00 0.00 N ATOM 822 CA LEU A 138 -7.178 0.285 1.451 1.00 0.00 C ATOM 823 C LEU A 138 -7.242 1.526 2.329 1.00 0.00 C ATOM 824 O LEU A 138 -6.813 2.607 1.943 1.00 0.00 O ATOM 825 CB LEU A 138 -8.490 0.103 0.690 1.00 0.00 C ATOM 826 CG LEU A 138 -8.494 -1.024 -0.339 1.00 0.00 C ATOM 827 CD1 LEU A 138 -9.901 -1.329 -0.799 1.00 0.00 C ATOM 828 CD2 LEU A 138 -7.649 -0.640 -1.528 1.00 0.00 C ATOM 0 H LEU A 138 -7.635 -1.624 2.210 1.00 0.00 H new ATOM 0 HA LEU A 138 -6.366 0.417 0.736 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -9.287 -0.082 1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -8.730 1.037 0.183 1.00 0.00 H new ATOM 0 HG LEU A 138 -8.079 -1.915 0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -9.877 -2.135 -1.532 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -10.505 -1.633 0.056 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -10.336 -0.439 -1.253 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.658 -1.450 -2.257 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -8.053 0.264 -1.985 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -6.625 -0.456 -1.202 1.00 0.00 H new ATOM 840 N SER A 139 -7.764 1.345 3.516 1.00 0.00 N ATOM 841 CA SER A 139 -7.878 2.369 4.473 1.00 0.00 C ATOM 842 C SER A 139 -6.500 2.706 5.079 1.00 0.00 C ATOM 843 O SER A 139 -6.232 3.831 5.472 1.00 0.00 O ATOM 844 CB SER A 139 -8.752 1.810 5.524 1.00 0.00 C ATOM 845 OG SER A 139 -9.813 1.043 4.940 1.00 0.00 O ATOM 0 H SER A 139 -8.127 0.446 3.834 1.00 0.00 H new ATOM 0 HA SER A 139 -8.273 3.286 4.035 1.00 0.00 H new ATOM 0 HB2 SER A 139 -8.167 1.181 6.195 1.00 0.00 H new ATOM 0 HB3 SER A 139 -9.168 2.617 6.126 1.00 0.00 H new ATOM 0 HG SER A 139 -10.382 0.678 5.650 1.00 0.00 H new ATOM 851 N ASP A 140 -5.646 1.709 5.115 1.00 0.00 N ATOM 852 CA ASP A 140 -4.308 1.812 5.709 1.00 0.00 C ATOM 853 C ASP A 140 -3.303 2.416 4.775 1.00 0.00 C ATOM 854 O ASP A 140 -2.198 2.749 5.202 1.00 0.00 O ATOM 855 CB ASP A 140 -3.793 0.448 6.170 1.00 0.00 C ATOM 856 CG ASP A 140 -4.150 0.115 7.592 1.00 0.00 C ATOM 857 OD1 ASP A 140 -5.312 -0.219 7.873 1.00 0.00 O ATOM 858 OD2 ASP A 140 -3.253 0.197 8.466 1.00 0.00 O ATOM 0 H ASP A 140 -5.852 0.787 4.731 1.00 0.00 H new ATOM 0 HA ASP A 140 -4.421 2.473 6.568 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -4.196 -0.323 5.514 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -2.709 0.424 6.062 1.00 0.00 H new ATOM 863 N LEU A 141 -3.648 2.500 3.513 1.00 0.00 N ATOM 864 CA LEU A 141 -2.778 3.097 2.511 1.00 0.00 C ATOM 865 C LEU A 141 -2.592 4.567 2.749 1.00 0.00 C ATOM 866 O LEU A 141 -3.520 5.270 3.169 1.00 0.00 O ATOM 867 CB LEU A 141 -3.325 2.909 1.109 1.00 0.00 C ATOM 868 CG LEU A 141 -3.442 1.492 0.595 1.00 0.00 C ATOM 869 CD1 LEU A 141 -3.910 1.515 -0.835 1.00 0.00 C ATOM 870 CD2 LEU A 141 -2.121 0.777 0.705 1.00 0.00 C ATOM 0 H LEU A 141 -4.536 2.159 3.145 1.00 0.00 H new ATOM 0 HA LEU A 141 -1.819 2.586 2.600 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -4.314 3.365 1.069 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -2.689 3.466 0.421 1.00 0.00 H new ATOM 0 HG LEU A 141 -4.169 0.952 1.202 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -3.995 0.494 -1.207 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -4.883 2.004 -0.892 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -3.192 2.064 -1.444 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -2.226 -0.241 0.330 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -1.371 1.305 0.116 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -1.808 0.749 1.749 1.00 0.00 H new ATOM 882 N LEU A 142 -1.408 5.039 2.474 1.00 0.00 N ATOM 883 CA LEU A 142 -1.127 6.427 2.607 1.00 0.00 C ATOM 884 C LEU A 142 -0.778 6.980 1.258 1.00 0.00 C ATOM 885 O LEU A 142 -0.402 6.221 0.358 1.00 0.00 O ATOM 886 CB LEU A 142 0.006 6.714 3.618 1.00 0.00 C ATOM 887 CG LEU A 142 -0.214 6.232 5.062 1.00 0.00 C ATOM 888 CD1 LEU A 142 0.175 4.769 5.242 1.00 0.00 C ATOM 889 CD2 LEU A 142 0.501 7.126 6.058 1.00 0.00 C ATOM 0 H LEU A 142 -0.622 4.472 2.155 1.00 0.00 H new ATOM 0 HA LEU A 142 -2.018 6.916 3.000 1.00 0.00 H new ATOM 0 HB2 LEU A 142 0.921 6.255 3.242 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.176 7.790 3.641 1.00 0.00 H new ATOM 0 HG LEU A 142 -1.283 6.302 5.264 1.00 0.00 H new ATOM 0 HD11 LEU A 142 0.003 4.471 6.276 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -0.429 4.148 4.581 1.00 0.00 H new ATOM 0 HD13 LEU A 142 1.229 4.640 4.998 1.00 0.00 H new ATOM 0 HD21 LEU A 142 0.325 6.758 7.069 1.00 0.00 H new ATOM 0 HD22 LEU A 142 1.571 7.119 5.850 1.00 0.00 H new ATOM 0 HD23 LEU A 142 0.121 8.144 5.971 1.00 0.00 H new ATOM 901 N SER A 143 -0.911 8.271 1.115 1.00 0.00 N ATOM 902 CA SER A 143 -0.578 8.965 -0.100 1.00 0.00 C ATOM 903 C SER A 143 0.929 8.794 -0.337 1.00 0.00 C ATOM 904 O SER A 143 1.706 8.725 0.638 1.00 0.00 O ATOM 905 CB SER A 143 -0.957 10.455 0.066 1.00 0.00 C ATOM 906 OG SER A 143 -0.811 11.190 -1.135 1.00 0.00 O ATOM 0 H SER A 143 -1.260 8.882 1.854 1.00 0.00 H new ATOM 0 HA SER A 143 -1.121 8.568 -0.958 1.00 0.00 H new ATOM 0 HB2 SER A 143 -1.989 10.528 0.409 1.00 0.00 H new ATOM 0 HB3 SER A 143 -0.332 10.901 0.839 1.00 0.00 H new ATOM 0 HG SER A 143 -1.064 12.124 -0.980 1.00 0.00 H new ATOM 912 N PRO A 144 1.373 8.682 -1.599 1.00 0.00 N ATOM 913 CA PRO A 144 2.773 8.442 -1.903 1.00 0.00 C ATOM 914 C PRO A 144 3.659 9.601 -1.506 1.00 0.00 C ATOM 915 O PRO A 144 3.191 10.713 -1.230 1.00 0.00 O ATOM 916 CB PRO A 144 2.802 8.238 -3.407 1.00 0.00 C ATOM 917 CG PRO A 144 1.606 8.952 -3.898 1.00 0.00 C ATOM 918 CD PRO A 144 0.566 8.817 -2.823 1.00 0.00 C ATOM 0 HA PRO A 144 3.158 7.587 -1.347 1.00 0.00 H new ATOM 0 HB2 PRO A 144 3.714 8.643 -3.845 1.00 0.00 H new ATOM 0 HB3 PRO A 144 2.767 7.180 -3.665 1.00 0.00 H new ATOM 0 HG2 PRO A 144 1.831 10.001 -4.092 1.00 0.00 H new ATOM 0 HG3 PRO A 144 1.254 8.523 -4.836 1.00 0.00 H new ATOM 0 HD2 PRO A 144 -0.088 9.688 -2.782 1.00 0.00 H new ATOM 0 HD3 PRO A 144 -0.071 7.948 -2.985 1.00 0.00 H new ATOM 926 N ILE A 145 4.913 9.338 -1.468 1.00 0.00 N ATOM 927 CA ILE A 145 5.885 10.328 -1.093 1.00 0.00 C ATOM 928 C ILE A 145 6.435 10.984 -2.338 1.00 0.00 C ATOM 929 O ILE A 145 5.983 10.681 -3.456 1.00 0.00 O ATOM 930 CB ILE A 145 7.052 9.714 -0.274 1.00 0.00 C ATOM 931 CG1 ILE A 145 7.768 8.620 -1.084 1.00 0.00 C ATOM 932 CG2 ILE A 145 6.535 9.157 1.053 1.00 0.00 C ATOM 933 CD1 ILE A 145 9.022 8.094 -0.426 1.00 0.00 C ATOM 0 H ILE A 145 5.309 8.426 -1.696 1.00 0.00 H new ATOM 0 HA ILE A 145 5.387 11.064 -0.462 1.00 0.00 H new ATOM 0 HB ILE A 145 7.775 10.501 -0.058 1.00 0.00 H new ATOM 0 HG12 ILE A 145 7.079 7.791 -1.245 1.00 0.00 H new ATOM 0 HG13 ILE A 145 8.024 9.017 -2.066 1.00 0.00 H new ATOM 0 HG21 ILE A 145 7.365 8.730 1.616 1.00 0.00 H new ATOM 0 HG22 ILE A 145 6.079 9.960 1.632 1.00 0.00 H new ATOM 0 HG23 ILE A 145 5.792 8.383 0.858 1.00 0.00 H new ATOM 0 HD11 ILE A 145 9.470 7.326 -1.057 1.00 0.00 H new ATOM 0 HD12 ILE A 145 9.731 8.910 -0.289 1.00 0.00 H new ATOM 0 HD13 ILE A 145 8.771 7.665 0.544 1.00 0.00 H new ATOM 945 N CYS A 146 7.368 11.869 -2.167 1.00 0.00 N ATOM 946 CA CYS A 146 8.013 12.514 -3.275 1.00 0.00 C ATOM 947 C CYS A 146 8.895 11.509 -4.014 1.00 0.00 C ATOM 948 O CYS A 146 9.559 10.673 -3.382 1.00 0.00 O ATOM 949 CB CYS A 146 8.825 13.704 -2.769 1.00 0.00 C ATOM 950 SG CYS A 146 9.933 13.306 -1.394 1.00 0.00 S ATOM 0 H CYS A 146 7.707 12.167 -1.252 1.00 0.00 H new ATOM 0 HA CYS A 146 7.266 12.885 -3.977 1.00 0.00 H new ATOM 0 HB2 CYS A 146 9.415 14.105 -3.593 1.00 0.00 H new ATOM 0 HB3 CYS A 146 8.140 14.491 -2.454 1.00 0.00 H new ATOM 0 HG CYS A 146 10.580 14.375 -1.035 1.00 0.00 H new ATOM 956 N GLU A 147 8.864 11.552 -5.319 1.00 0.00 N ATOM 957 CA GLU A 147 9.652 10.662 -6.139 1.00 0.00 C ATOM 958 C GLU A 147 10.201 11.447 -7.307 1.00 0.00 C ATOM 959 O GLU A 147 11.265 12.075 -7.156 1.00 0.00 O ATOM 960 CB GLU A 147 8.831 9.453 -6.648 1.00 0.00 C ATOM 961 CG GLU A 147 8.321 8.505 -5.567 1.00 0.00 C ATOM 962 CD GLU A 147 7.603 7.313 -6.142 1.00 0.00 C ATOM 963 OE1 GLU A 147 6.423 7.437 -6.513 1.00 0.00 O ATOM 964 OE2 GLU A 147 8.215 6.239 -6.265 1.00 0.00 O ATOM 965 OXT GLU A 147 9.555 11.476 -8.375 1.00 0.00 O ATOM 0 H GLU A 147 8.290 12.207 -5.849 1.00 0.00 H new ATOM 0 HA GLU A 147 10.462 10.259 -5.532 1.00 0.00 H new ATOM 0 HB2 GLU A 147 7.976 9.827 -7.211 1.00 0.00 H new ATOM 0 HB3 GLU A 147 9.447 8.884 -7.344 1.00 0.00 H new ATOM 0 HG2 GLU A 147 9.161 8.163 -4.962 1.00 0.00 H new ATOM 0 HG3 GLU A 147 7.648 9.045 -4.902 1.00 0.00 H new TER 972 GLU A 147 HETATM 973 C1 DA2 A1148 9.748 -1.512 1.889 1.00 0.00 C HETATM 974 C2 DA2 A1148 10.050 -3.705 0.762 1.00 0.00 C HETATM 975 N DA2 A1148 13.855 -7.845 -1.121 1.00 0.00 N HETATM 976 CA DA2 A1148 14.332 -7.379 0.167 1.00 0.00 C HETATM 977 CB DA2 A1148 13.963 -5.911 0.365 1.00 0.00 C HETATM 978 CG DA2 A1148 14.270 -5.366 1.747 1.00 0.00 C HETATM 979 CD DA2 A1148 13.950 -3.897 1.833 1.00 0.00 C HETATM 980 NE DA2 A1148 12.561 -3.663 1.546 1.00 0.00 N HETATM 981 CZ DA2 A1148 11.845 -2.629 1.904 1.00 0.00 C HETATM 982 NH2 DA2 A1148 12.347 -1.638 2.603 1.00 0.00 N HETATM 983 NH1 DA2 A1148 10.599 -2.609 1.540 1.00 0.00 N HETATM 984 C DA2 A1148 13.732 -8.246 1.245 1.00 0.00 C HETATM 985 O DA2 A1148 14.479 -8.880 1.986 1.00 0.00 O HETATM 986 OXT DA2 A1148 12.497 -8.345 1.316 1.00 0.00 O HETATM 0 HNH2 DA2 A1148 12.219 -1.824 3.598 1.00 0.00 H new HETATM 0 HCG2 DA2 A1148 13.692 -5.912 2.493 1.00 0.00 H new HETATM 0 HCG1 DA2 A1148 15.323 -5.526 1.979 1.00 0.00 H new HETATM 0 HCD2 DA2 A1148 14.188 -3.525 2.830 1.00 0.00 H new HETATM 0 HCD1 DA2 A1148 14.571 -3.342 1.129 1.00 0.00 H new HETATM 0 HCB2 DA2 A1148 14.496 -5.313 -0.374 1.00 0.00 H new HETATM 0 HCB1 DA2 A1148 12.898 -5.787 0.168 1.00 0.00 H new HETATM 0 HC23 DA2 A1148 9.225 -4.162 1.309 1.00 0.00 H new HETATM 0 HC22 DA2 A1148 9.686 -3.327 -0.193 1.00 0.00 H new HETATM 0 HC21 DA2 A1148 10.826 -4.450 0.585 1.00 0.00 H new HETATM 0 HC13 DA2 A1148 9.371 -1.041 0.981 1.00 0.00 H new HETATM 0 HC12 DA2 A1148 8.910 -1.876 2.483 1.00 0.00 H new HETATM 0 HC11 DA2 A1148 10.314 -0.783 2.468 1.00 0.00 H new HETATM 0 HNE DA2 A1148 12.082 -4.382 1.004 1.00 0.00 H new HETATM 0 HN2 DA2 A1148 14.021 -8.810 -1.408 1.00 0.00 H new HETATM 0 HN1 DA2 A1148 13.353 -7.208 -1.740 1.00 0.00 H new HETATM 0 HCA DA2 A1148 15.418 -7.452 0.216 1.00 0.00 H new