USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 819 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 85 SER OG : rot 135:sc= -1.73! USER MOD Set 1.2: A 88 ASN : amide:sc= -2.2 K(o=-3.9,f=-12!) USER MOD Set 2.1: A 48 HIS : no HD1:sc= 0.342 K(o=1.4,f=-5.5!) USER MOD Set 2.2: A 52 TYR OH : rot 32:sc= 1.02 USER MOD Set 3.1: A 28 TYR OH : rot 128:sc= 0.902 USER MOD Set 3.2: A 46 GLN : amide:sc= -2.33 K(o=-1.4,f=-4.2!) USER MOD Set 4.1: A 8 MET CE :methyl 149:sc= -7.17 (180deg=-6.95!) USER MOD Set 4.2: A 73 TYR OH : rot -140:sc= -2.05 USER MOD Single : A 4 GLN : amide:sc= -0.325 K(o=-0.33,f=-2.2!) USER MOD Single : A 6 ASN : amide:sc= -4.23! C(o=-4.2!,f=-15!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -148:sc= 0.641 (180deg=-0.0369) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0162 USER MOD Single : A 16 SER OG : rot -100:sc= 0.129 USER MOD Single : A 23 ASN : amide:sc= -0.0151 K(o=-0.015,f=-1.4) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 TYR OH : rot -174:sc= -0.624 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 83:sc= 0.543 USER MOD Single : A 50 ASN : amide:sc= -0.888 K(o=-0.89,f=-2.6!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot -117:sc= -0.508 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 130:sc= -0.0134 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0205 USER MOD Single : A 71 ASN :FLIP amide:sc= 0.68 F(o=-1.1,f=0.68) USER MOD Single : A 72 ASN : amide:sc= -0.267 X(o=-0.27,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 127:sc= 0.925 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 72:sc= 0.847 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= -0.478 X(o=-0.48,f=-0.021) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -6.17! C(o=-6.2!,f=-24!) USER MOD Single : A 97 ASN : amide:sc= -0.0794 K(o=-0.079,f=-2.1!) USER MOD Single : A 101 ASN : amide:sc= -0.133 K(o=-0.13,f=-2.4!) USER MOD Single : A 107 SER OG : rot -60:sc= 0.293 USER MOD Single : A 108 LYS NZ :NH3+ 171:sc=-0.00856 (180deg=-0.097) USER MOD Single : A 111 TYR OH : rot 69:sc= 0.792 USER MOD Single : A 112 ASN : amide:sc= 0.692 K(o=0.69,f=-1.2) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 HIS : no HD1:sc= 0.0777 K(o=0.078,f=-2.3) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= -2.75! C(o=-2.7!,f=-4.3!) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN : amide:sc= -0.633 X(o=-0.63,f=-0.63) USER MOD ----------------------------------------------------------------- ATOM 13 N LEU A 2 84.164 -6.355 -4.056 1.00 0.00 N ATOM 14 CA LEU A 2 84.448 -5.063 -3.372 1.00 0.00 C ATOM 15 C LEU A 2 84.130 -5.172 -1.878 1.00 0.00 C ATOM 16 O LEU A 2 84.888 -4.725 -1.040 1.00 0.00 O ATOM 17 CB LEU A 2 83.528 -4.047 -4.049 1.00 0.00 C ATOM 18 CG LEU A 2 84.201 -3.518 -5.317 1.00 0.00 C ATOM 19 CD1 LEU A 2 83.792 -4.384 -6.511 1.00 0.00 C ATOM 20 CD2 LEU A 2 83.762 -2.074 -5.564 1.00 0.00 C ATOM 0 HA LEU A 2 85.497 -4.776 -3.449 1.00 0.00 H new ATOM 0 HB2 LEU A 2 82.574 -4.512 -4.297 1.00 0.00 H new ATOM 0 HB3 LEU A 2 83.313 -3.224 -3.368 1.00 0.00 H new ATOM 0 HG LEU A 2 85.283 -3.554 -5.194 1.00 0.00 H new ATOM 0 HD11 LEU A 2 84.271 -4.007 -7.415 1.00 0.00 H new ATOM 0 HD12 LEU A 2 84.104 -5.414 -6.337 1.00 0.00 H new ATOM 0 HD13 LEU A 2 82.709 -4.348 -6.633 1.00 0.00 H new ATOM 0 HD21 LEU A 2 84.242 -1.697 -6.467 1.00 0.00 H new ATOM 0 HD22 LEU A 2 82.679 -2.039 -5.686 1.00 0.00 H new ATOM 0 HD23 LEU A 2 84.052 -1.455 -4.715 1.00 0.00 H new ATOM 32 N TRP A 3 83.018 -5.762 -1.537 1.00 0.00 N ATOM 33 CA TRP A 3 82.661 -5.897 -0.095 1.00 0.00 C ATOM 34 C TRP A 3 83.842 -6.477 0.689 1.00 0.00 C ATOM 35 O TRP A 3 83.962 -6.282 1.882 1.00 0.00 O ATOM 36 CB TRP A 3 81.467 -6.856 -0.066 1.00 0.00 C ATOM 37 CG TRP A 3 81.933 -8.251 -0.335 1.00 0.00 C ATOM 38 CD1 TRP A 3 82.711 -8.621 -1.378 1.00 0.00 C ATOM 39 CD2 TRP A 3 81.665 -9.464 0.427 1.00 0.00 C ATOM 40 NE1 TRP A 3 82.940 -9.983 -1.304 1.00 0.00 N ATOM 41 CE2 TRP A 3 82.315 -10.548 -0.210 1.00 0.00 C ATOM 42 CE3 TRP A 3 80.928 -9.728 1.596 1.00 0.00 C ATOM 43 CZ2 TRP A 3 82.237 -11.846 0.294 1.00 0.00 C ATOM 44 CZ3 TRP A 3 80.849 -11.035 2.107 1.00 0.00 C ATOM 45 CH2 TRP A 3 81.502 -12.091 1.456 1.00 0.00 C ATOM 0 H TRP A 3 82.342 -6.156 -2.192 1.00 0.00 H new ATOM 0 HA TRP A 3 82.419 -4.938 0.362 1.00 0.00 H new ATOM 0 HB2 TRP A 3 80.974 -6.808 0.905 1.00 0.00 H new ATOM 0 HB3 TRP A 3 80.731 -6.558 -0.813 1.00 0.00 H new ATOM 0 HD1 TRP A 3 83.091 -7.961 -2.143 1.00 0.00 H new ATOM 0 HE1 TRP A 3 83.502 -10.506 -1.976 1.00 0.00 H new ATOM 0 HE3 TRP A 3 80.420 -8.922 2.104 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 82.742 -12.656 -0.211 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 80.282 -11.227 3.006 1.00 0.00 H new ATOM 0 HH2 TRP A 3 81.437 -13.093 1.853 1.00 0.00 H new ATOM 56 N GLN A 4 84.717 -7.185 0.026 1.00 0.00 N ATOM 57 CA GLN A 4 85.890 -7.771 0.736 1.00 0.00 C ATOM 58 C GLN A 4 86.765 -6.652 1.302 1.00 0.00 C ATOM 59 O GLN A 4 87.314 -6.763 2.380 1.00 0.00 O ATOM 60 CB GLN A 4 86.646 -8.563 -0.331 1.00 0.00 C ATOM 61 CG GLN A 4 85.970 -9.919 -0.537 1.00 0.00 C ATOM 62 CD GLN A 4 86.649 -10.969 0.343 1.00 0.00 C ATOM 63 OE1 GLN A 4 87.636 -11.560 -0.048 1.00 0.00 O ATOM 64 NE2 GLN A 4 86.161 -11.227 1.525 1.00 0.00 N ATOM 0 H GLN A 4 84.670 -7.382 -0.974 1.00 0.00 H new ATOM 0 HA GLN A 4 85.598 -8.404 1.574 1.00 0.00 H new ATOM 0 HB2 GLN A 4 86.662 -8.007 -1.268 1.00 0.00 H new ATOM 0 HB3 GLN A 4 87.683 -8.705 -0.027 1.00 0.00 H new ATOM 0 HG2 GLN A 4 84.911 -9.850 -0.288 1.00 0.00 H new ATOM 0 HG3 GLN A 4 86.032 -10.212 -1.585 1.00 0.00 H new ATOM 0 HE21 GLN A 4 85.332 -10.731 1.854 1.00 0.00 H new ATOM 0 HE22 GLN A 4 86.608 -11.924 2.120 1.00 0.00 H new ATOM 73 N PHE A 5 86.893 -5.570 0.583 1.00 0.00 N ATOM 74 CA PHE A 5 87.725 -4.439 1.079 1.00 0.00 C ATOM 75 C PHE A 5 87.108 -3.861 2.355 1.00 0.00 C ATOM 76 O PHE A 5 87.781 -3.661 3.347 1.00 0.00 O ATOM 77 CB PHE A 5 87.700 -3.404 -0.047 1.00 0.00 C ATOM 78 CG PHE A 5 88.477 -2.181 0.376 1.00 0.00 C ATOM 79 CD1 PHE A 5 89.828 -2.297 0.727 1.00 0.00 C ATOM 80 CD2 PHE A 5 87.849 -0.932 0.416 1.00 0.00 C ATOM 81 CE1 PHE A 5 90.549 -1.163 1.118 1.00 0.00 C ATOM 82 CE2 PHE A 5 88.570 0.202 0.806 1.00 0.00 C ATOM 83 CZ PHE A 5 89.920 0.086 1.158 1.00 0.00 C ATOM 0 H PHE A 5 86.457 -5.421 -0.327 1.00 0.00 H new ATOM 0 HA PHE A 5 88.742 -4.745 1.324 1.00 0.00 H new ATOM 0 HB2 PHE A 5 88.132 -3.827 -0.954 1.00 0.00 H new ATOM 0 HB3 PHE A 5 86.671 -3.131 -0.282 1.00 0.00 H new ATOM 0 HD1 PHE A 5 90.313 -3.261 0.696 1.00 0.00 H new ATOM 0 HD2 PHE A 5 86.807 -0.843 0.146 1.00 0.00 H new ATOM 0 HE1 PHE A 5 91.591 -1.252 1.389 1.00 0.00 H new ATOM 0 HE2 PHE A 5 88.085 1.167 0.835 1.00 0.00 H new ATOM 0 HZ PHE A 5 90.476 0.961 1.461 1.00 0.00 H new ATOM 93 N ASN A 6 85.830 -3.600 2.340 1.00 0.00 N ATOM 94 CA ASN A 6 85.170 -3.045 3.555 1.00 0.00 C ATOM 95 C ASN A 6 85.424 -3.967 4.751 1.00 0.00 C ATOM 96 O ASN A 6 85.418 -3.540 5.889 1.00 0.00 O ATOM 97 CB ASN A 6 83.680 -3.002 3.213 1.00 0.00 C ATOM 98 CG ASN A 6 83.284 -1.573 2.836 1.00 0.00 C ATOM 99 OD1 ASN A 6 83.174 -0.715 3.689 1.00 0.00 O ATOM 100 ND2 ASN A 6 83.061 -1.279 1.584 1.00 0.00 N ATOM 0 H ASN A 6 85.215 -3.747 1.540 1.00 0.00 H new ATOM 0 HA ASN A 6 85.550 -2.060 3.824 1.00 0.00 H new ATOM 0 HB2 ASN A 6 83.466 -3.680 2.387 1.00 0.00 H new ATOM 0 HB3 ASN A 6 83.091 -3.341 4.065 1.00 0.00 H new ATOM 0 HD21 ASN A 6 82.795 -0.330 1.323 1.00 0.00 H new ATOM 0 HD22 ASN A 6 83.153 -1.999 0.867 1.00 0.00 H new ATOM 107 N GLY A 7 85.653 -5.227 4.500 1.00 0.00 N ATOM 108 CA GLY A 7 85.915 -6.176 5.618 1.00 0.00 C ATOM 109 C GLY A 7 87.291 -5.883 6.216 1.00 0.00 C ATOM 110 O GLY A 7 87.478 -5.919 7.416 1.00 0.00 O ATOM 0 H GLY A 7 85.670 -5.640 3.568 1.00 0.00 H new ATOM 0 HA2 GLY A 7 85.145 -6.077 6.383 1.00 0.00 H new ATOM 0 HA3 GLY A 7 85.874 -7.203 5.256 1.00 0.00 H new ATOM 114 N MET A 8 88.257 -5.587 5.389 1.00 0.00 N ATOM 115 CA MET A 8 89.619 -5.284 5.915 1.00 0.00 C ATOM 116 C MET A 8 89.549 -4.103 6.883 1.00 0.00 C ATOM 117 O MET A 8 90.098 -4.139 7.967 1.00 0.00 O ATOM 118 CB MET A 8 90.453 -4.917 4.685 1.00 0.00 C ATOM 119 CG MET A 8 90.626 -6.150 3.797 1.00 0.00 C ATOM 120 SD MET A 8 92.384 -6.571 3.686 1.00 0.00 S ATOM 121 CE MET A 8 92.172 -8.338 3.363 1.00 0.00 C ATOM 0 H MET A 8 88.162 -5.542 4.374 1.00 0.00 H new ATOM 0 HA MET A 8 90.050 -6.125 6.459 1.00 0.00 H new ATOM 0 HB2 MET A 8 89.964 -4.119 4.126 1.00 0.00 H new ATOM 0 HB3 MET A 8 91.428 -4.539 4.993 1.00 0.00 H new ATOM 0 HG2 MET A 8 90.065 -6.989 4.208 1.00 0.00 H new ATOM 0 HG3 MET A 8 90.224 -5.955 2.803 1.00 0.00 H new ATOM 0 HE1 MET A 8 92.994 -8.696 2.743 1.00 0.00 H new ATOM 0 HE2 MET A 8 92.166 -8.882 4.307 1.00 0.00 H new ATOM 0 HE3 MET A 8 91.228 -8.502 2.844 1.00 0.00 H new ATOM 131 N ILE A 9 88.870 -3.055 6.501 1.00 0.00 N ATOM 132 CA ILE A 9 88.756 -1.872 7.400 1.00 0.00 C ATOM 133 C ILE A 9 88.059 -2.269 8.702 1.00 0.00 C ATOM 134 O ILE A 9 88.525 -1.971 9.784 1.00 0.00 O ATOM 135 CB ILE A 9 87.909 -0.866 6.624 1.00 0.00 C ATOM 136 CG1 ILE A 9 88.664 -0.432 5.365 1.00 0.00 C ATOM 137 CG2 ILE A 9 87.636 0.357 7.501 1.00 0.00 C ATOM 138 CD1 ILE A 9 87.734 0.384 4.467 1.00 0.00 C ATOM 0 H ILE A 9 88.390 -2.967 5.605 1.00 0.00 H new ATOM 0 HA ILE A 9 89.729 -1.461 7.671 1.00 0.00 H new ATOM 0 HB ILE A 9 86.963 -1.328 6.342 1.00 0.00 H new ATOM 0 HG12 ILE A 9 89.536 0.162 5.638 1.00 0.00 H new ATOM 0 HG13 ILE A 9 89.030 -1.307 4.828 1.00 0.00 H new ATOM 0 HG21 ILE A 9 87.031 1.075 6.946 1.00 0.00 H new ATOM 0 HG22 ILE A 9 87.101 0.049 8.399 1.00 0.00 H new ATOM 0 HG23 ILE A 9 88.581 0.821 7.783 1.00 0.00 H new ATOM 0 HD11 ILE A 9 88.272 0.693 3.571 1.00 0.00 H new ATOM 0 HD12 ILE A 9 86.876 -0.225 4.183 1.00 0.00 H new ATOM 0 HD13 ILE A 9 87.390 1.267 5.006 1.00 0.00 H new ATOM 150 N LYS A 10 86.947 -2.944 8.607 1.00 0.00 N ATOM 151 CA LYS A 10 86.226 -3.362 9.842 1.00 0.00 C ATOM 152 C LYS A 10 87.137 -4.234 10.708 1.00 0.00 C ATOM 153 O LYS A 10 87.051 -4.225 11.920 1.00 0.00 O ATOM 154 CB LYS A 10 85.023 -4.167 9.350 1.00 0.00 C ATOM 155 CG LYS A 10 83.871 -3.215 9.020 1.00 0.00 C ATOM 156 CD LYS A 10 82.545 -3.973 9.097 1.00 0.00 C ATOM 157 CE LYS A 10 82.604 -5.200 8.186 1.00 0.00 C ATOM 158 NZ LYS A 10 81.412 -5.080 7.301 1.00 0.00 N ATOM 0 H LYS A 10 86.507 -3.224 7.730 1.00 0.00 H new ATOM 0 HA LYS A 10 85.921 -2.511 10.451 1.00 0.00 H new ATOM 0 HB2 LYS A 10 85.295 -4.745 8.467 1.00 0.00 H new ATOM 0 HB3 LYS A 10 84.712 -4.880 10.114 1.00 0.00 H new ATOM 0 HG2 LYS A 10 83.865 -2.378 9.719 1.00 0.00 H new ATOM 0 HG3 LYS A 10 84.005 -2.796 8.023 1.00 0.00 H new ATOM 0 HD2 LYS A 10 82.348 -4.279 10.124 1.00 0.00 H new ATOM 0 HD3 LYS A 10 81.724 -3.322 8.795 1.00 0.00 H new ATOM 0 HE2 LYS A 10 83.526 -5.217 7.606 1.00 0.00 H new ATOM 0 HE3 LYS A 10 82.575 -6.123 8.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 81.383 -5.887 6.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 80.549 -5.073 7.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 81.471 -4.195 6.757 1.00 0.00 H new ATOM 172 N CYS A 11 88.011 -4.984 10.096 1.00 0.00 N ATOM 173 CA CYS A 11 88.927 -5.851 10.878 1.00 0.00 C ATOM 174 C CYS A 11 89.769 -4.997 11.824 1.00 0.00 C ATOM 175 O CYS A 11 89.980 -5.339 12.971 1.00 0.00 O ATOM 176 CB CYS A 11 89.815 -6.526 9.837 1.00 0.00 C ATOM 177 SG CYS A 11 90.642 -7.949 10.587 1.00 0.00 S ATOM 0 H CYS A 11 88.128 -5.032 9.084 1.00 0.00 H new ATOM 0 HA CYS A 11 88.392 -6.578 11.490 1.00 0.00 H new ATOM 0 HB2 CYS A 11 89.216 -6.847 8.985 1.00 0.00 H new ATOM 0 HB3 CYS A 11 90.554 -5.819 9.459 1.00 0.00 H new ATOM 182 N LYS A 12 90.254 -3.886 11.346 1.00 0.00 N ATOM 183 CA LYS A 12 91.089 -3.001 12.206 1.00 0.00 C ATOM 184 C LYS A 12 90.211 -1.961 12.910 1.00 0.00 C ATOM 185 O LYS A 12 90.444 -1.610 14.049 1.00 0.00 O ATOM 186 CB LYS A 12 92.063 -2.319 11.245 1.00 0.00 C ATOM 187 CG LYS A 12 93.074 -3.346 10.730 1.00 0.00 C ATOM 188 CD LYS A 12 94.234 -3.460 11.718 1.00 0.00 C ATOM 189 CE LYS A 12 94.925 -4.814 11.540 1.00 0.00 C ATOM 190 NZ LYS A 12 95.994 -4.840 12.578 1.00 0.00 N ATOM 0 H LYS A 12 90.108 -3.551 10.394 1.00 0.00 H new ATOM 0 HA LYS A 12 91.608 -3.556 12.987 1.00 0.00 H new ATOM 0 HB2 LYS A 12 91.518 -1.879 10.410 1.00 0.00 H new ATOM 0 HB3 LYS A 12 92.581 -1.505 11.752 1.00 0.00 H new ATOM 0 HG2 LYS A 12 92.592 -4.316 10.606 1.00 0.00 H new ATOM 0 HG3 LYS A 12 93.445 -3.047 9.750 1.00 0.00 H new ATOM 0 HD2 LYS A 12 94.947 -2.652 11.553 1.00 0.00 H new ATOM 0 HD3 LYS A 12 93.867 -3.358 12.739 1.00 0.00 H new ATOM 0 HE2 LYS A 12 94.223 -5.637 11.676 1.00 0.00 H new ATOM 0 HE3 LYS A 12 95.344 -4.915 10.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 96.805 -5.389 12.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 96.299 -3.868 12.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 95.626 -5.281 13.445 1.00 0.00 H new ATOM 204 N ILE A 13 89.204 -1.469 12.241 1.00 0.00 N ATOM 205 CA ILE A 13 88.315 -0.454 12.875 1.00 0.00 C ATOM 206 C ILE A 13 86.912 -1.034 13.073 1.00 0.00 C ATOM 207 O ILE A 13 86.005 -0.746 12.317 1.00 0.00 O ATOM 208 CB ILE A 13 88.280 0.717 11.893 1.00 0.00 C ATOM 209 CG1 ILE A 13 89.602 1.487 11.969 1.00 0.00 C ATOM 210 CG2 ILE A 13 87.127 1.653 12.257 1.00 0.00 C ATOM 211 CD1 ILE A 13 90.258 1.519 10.587 1.00 0.00 C ATOM 0 H ILE A 13 88.959 -1.725 11.285 1.00 0.00 H new ATOM 0 HA ILE A 13 88.674 -0.147 13.857 1.00 0.00 H new ATOM 0 HB ILE A 13 88.137 0.338 10.881 1.00 0.00 H new ATOM 0 HG12 ILE A 13 89.423 2.503 12.321 1.00 0.00 H new ATOM 0 HG13 ILE A 13 90.270 1.013 12.689 1.00 0.00 H new ATOM 0 HG21 ILE A 13 87.102 2.488 11.557 1.00 0.00 H new ATOM 0 HG22 ILE A 13 86.185 1.107 12.205 1.00 0.00 H new ATOM 0 HG23 ILE A 13 87.271 2.032 13.269 1.00 0.00 H new ATOM 0 HD11 ILE A 13 91.198 2.067 10.643 1.00 0.00 H new ATOM 0 HD12 ILE A 13 90.452 0.500 10.252 1.00 0.00 H new ATOM 0 HD13 ILE A 13 89.592 2.013 9.879 1.00 0.00 H new ATOM 223 N PRO A 14 86.786 -1.841 14.091 1.00 0.00 N ATOM 224 CA PRO A 14 85.487 -2.485 14.403 1.00 0.00 C ATOM 225 C PRO A 14 84.534 -1.485 15.068 1.00 0.00 C ATOM 226 O PRO A 14 83.332 -1.667 15.066 1.00 0.00 O ATOM 227 CB PRO A 14 85.866 -3.594 15.379 1.00 0.00 C ATOM 228 CG PRO A 14 87.143 -3.141 16.014 1.00 0.00 C ATOM 229 CD PRO A 14 87.839 -2.229 15.034 1.00 0.00 C ATOM 0 HA PRO A 14 84.971 -2.854 13.517 1.00 0.00 H new ATOM 0 HB2 PRO A 14 85.087 -3.744 16.126 1.00 0.00 H new ATOM 0 HB3 PRO A 14 85.999 -4.544 14.862 1.00 0.00 H new ATOM 0 HG2 PRO A 14 86.942 -2.617 16.948 1.00 0.00 H new ATOM 0 HG3 PRO A 14 87.774 -3.996 16.257 1.00 0.00 H new ATOM 0 HD2 PRO A 14 88.266 -1.359 15.534 1.00 0.00 H new ATOM 0 HD3 PRO A 14 88.658 -2.740 14.528 1.00 0.00 H new ATOM 237 N SER A 15 85.061 -0.440 15.642 1.00 0.00 N ATOM 238 CA SER A 15 84.185 0.565 16.316 1.00 0.00 C ATOM 239 C SER A 15 83.596 1.539 15.292 1.00 0.00 C ATOM 240 O SER A 15 82.873 2.453 15.640 1.00 0.00 O ATOM 241 CB SER A 15 85.108 1.303 17.283 1.00 0.00 C ATOM 242 OG SER A 15 86.202 1.853 16.561 1.00 0.00 O ATOM 0 H SER A 15 86.060 -0.236 15.675 1.00 0.00 H new ATOM 0 HA SER A 15 83.342 0.098 16.825 1.00 0.00 H new ATOM 0 HB2 SER A 15 84.560 2.095 17.794 1.00 0.00 H new ATOM 0 HB3 SER A 15 85.471 0.619 18.051 1.00 0.00 H new ATOM 0 HG SER A 15 86.795 2.329 17.179 1.00 0.00 H new ATOM 248 N SER A 16 83.900 1.360 14.037 1.00 0.00 N ATOM 249 CA SER A 16 83.354 2.286 13.003 1.00 0.00 C ATOM 250 C SER A 16 83.022 1.520 11.719 1.00 0.00 C ATOM 251 O SER A 16 83.592 0.486 11.436 1.00 0.00 O ATOM 252 CB SER A 16 84.474 3.294 12.748 1.00 0.00 C ATOM 253 OG SER A 16 84.107 4.552 13.301 1.00 0.00 O ATOM 0 H SER A 16 84.501 0.616 13.682 1.00 0.00 H new ATOM 0 HA SER A 16 82.432 2.768 13.329 1.00 0.00 H new ATOM 0 HB2 SER A 16 85.404 2.944 13.196 1.00 0.00 H new ATOM 0 HB3 SER A 16 84.654 3.393 11.677 1.00 0.00 H new ATOM 0 HG SER A 16 83.779 5.139 12.588 1.00 0.00 H new ATOM 259 N GLU A 17 82.102 2.023 10.941 1.00 0.00 N ATOM 260 CA GLU A 17 81.732 1.326 9.677 1.00 0.00 C ATOM 261 C GLU A 17 82.432 1.991 8.486 1.00 0.00 C ATOM 262 O GLU A 17 82.412 3.198 8.349 1.00 0.00 O ATOM 263 CB GLU A 17 80.215 1.482 9.567 1.00 0.00 C ATOM 264 CG GLU A 17 79.539 0.676 10.678 1.00 0.00 C ATOM 265 CD GLU A 17 78.686 1.609 11.540 1.00 0.00 C ATOM 266 OE1 GLU A 17 78.978 2.793 11.566 1.00 0.00 O ATOM 267 OE2 GLU A 17 77.754 1.123 12.160 1.00 0.00 O ATOM 0 H GLU A 17 81.591 2.886 11.126 1.00 0.00 H new ATOM 0 HA GLU A 17 82.032 0.278 9.678 1.00 0.00 H new ATOM 0 HB2 GLU A 17 79.940 2.534 9.647 1.00 0.00 H new ATOM 0 HB3 GLU A 17 79.873 1.136 8.592 1.00 0.00 H new ATOM 0 HG2 GLU A 17 78.916 -0.107 10.246 1.00 0.00 H new ATOM 0 HG3 GLU A 17 80.292 0.182 11.293 1.00 0.00 H new ATOM 274 N PRO A 18 83.036 1.172 7.666 1.00 0.00 N ATOM 275 CA PRO A 18 83.759 1.680 6.473 1.00 0.00 C ATOM 276 C PRO A 18 82.776 2.154 5.398 1.00 0.00 C ATOM 277 O PRO A 18 83.171 2.616 4.346 1.00 0.00 O ATOM 278 CB PRO A 18 84.544 0.464 5.988 1.00 0.00 C ATOM 279 CG PRO A 18 83.783 -0.718 6.498 1.00 0.00 C ATOM 280 CD PRO A 18 83.101 -0.290 7.770 1.00 0.00 C ATOM 0 HA PRO A 18 84.394 2.537 6.696 1.00 0.00 H new ATOM 0 HB2 PRO A 18 84.615 0.448 4.900 1.00 0.00 H new ATOM 0 HB3 PRO A 18 85.563 0.473 6.374 1.00 0.00 H new ATOM 0 HG2 PRO A 18 83.051 -1.052 5.762 1.00 0.00 H new ATOM 0 HG3 PRO A 18 84.454 -1.557 6.684 1.00 0.00 H new ATOM 0 HD2 PRO A 18 82.107 -0.728 7.856 1.00 0.00 H new ATOM 0 HD3 PRO A 18 83.664 -0.603 8.649 1.00 0.00 H new ATOM 288 N LEU A 19 81.500 2.041 5.647 1.00 0.00 N ATOM 289 CA LEU A 19 80.504 2.485 4.630 1.00 0.00 C ATOM 290 C LEU A 19 79.719 3.695 5.143 1.00 0.00 C ATOM 291 O LEU A 19 79.068 4.389 4.389 1.00 0.00 O ATOM 292 CB LEU A 19 79.580 1.283 4.432 1.00 0.00 C ATOM 293 CG LEU A 19 80.262 0.263 3.519 1.00 0.00 C ATOM 294 CD1 LEU A 19 80.165 -1.129 4.147 1.00 0.00 C ATOM 295 CD2 LEU A 19 79.569 0.257 2.155 1.00 0.00 C ATOM 0 H LEU A 19 81.105 1.662 6.507 1.00 0.00 H new ATOM 0 HA LEU A 19 80.976 2.793 3.697 1.00 0.00 H new ATOM 0 HB2 LEU A 19 79.347 0.827 5.394 1.00 0.00 H new ATOM 0 HB3 LEU A 19 78.635 1.605 3.994 1.00 0.00 H new ATOM 0 HG LEU A 19 81.311 0.532 3.393 1.00 0.00 H new ATOM 0 HD11 LEU A 19 80.651 -1.856 3.497 1.00 0.00 H new ATOM 0 HD12 LEU A 19 80.658 -1.125 5.119 1.00 0.00 H new ATOM 0 HD13 LEU A 19 79.117 -1.399 4.273 1.00 0.00 H new ATOM 0 HD21 LEU A 19 80.054 -0.470 1.503 1.00 0.00 H new ATOM 0 HD22 LEU A 19 78.520 -0.012 2.281 1.00 0.00 H new ATOM 0 HD23 LEU A 19 79.638 1.248 1.707 1.00 0.00 H new ATOM 307 N LEU A 20 79.780 3.955 6.420 1.00 0.00 N ATOM 308 CA LEU A 20 79.040 5.124 6.978 1.00 0.00 C ATOM 309 C LEU A 20 80.025 6.140 7.560 1.00 0.00 C ATOM 310 O LEU A 20 79.656 7.020 8.311 1.00 0.00 O ATOM 311 CB LEU A 20 78.149 4.540 8.075 1.00 0.00 C ATOM 312 CG LEU A 20 77.278 3.431 7.483 1.00 0.00 C ATOM 313 CD1 LEU A 20 77.142 2.292 8.496 1.00 0.00 C ATOM 314 CD2 LEU A 20 75.892 3.989 7.156 1.00 0.00 C ATOM 0 H LEU A 20 80.309 3.410 7.101 1.00 0.00 H new ATOM 0 HA LEU A 20 78.457 5.649 6.221 1.00 0.00 H new ATOM 0 HB2 LEU A 20 78.762 4.144 8.884 1.00 0.00 H new ATOM 0 HB3 LEU A 20 77.521 5.321 8.504 1.00 0.00 H new ATOM 0 HG LEU A 20 77.742 3.054 6.572 1.00 0.00 H new ATOM 0 HD11 LEU A 20 76.521 1.502 8.074 1.00 0.00 H new ATOM 0 HD12 LEU A 20 78.129 1.893 8.729 1.00 0.00 H new ATOM 0 HD13 LEU A 20 76.679 2.669 9.408 1.00 0.00 H new ATOM 0 HD21 LEU A 20 75.272 3.198 6.734 1.00 0.00 H new ATOM 0 HD22 LEU A 20 75.428 4.367 8.067 1.00 0.00 H new ATOM 0 HD23 LEU A 20 75.987 4.800 6.434 1.00 0.00 H new ATOM 326 N ASP A 21 81.278 6.025 7.213 1.00 0.00 N ATOM 327 CA ASP A 21 82.292 6.984 7.738 1.00 0.00 C ATOM 328 C ASP A 21 83.366 7.239 6.678 1.00 0.00 C ATOM 329 O ASP A 21 83.708 8.367 6.382 1.00 0.00 O ATOM 330 CB ASP A 21 82.900 6.294 8.961 1.00 0.00 C ATOM 331 CG ASP A 21 82.779 7.213 10.178 1.00 0.00 C ATOM 332 OD1 ASP A 21 82.434 8.368 9.993 1.00 0.00 O ATOM 333 OD2 ASP A 21 83.034 6.745 11.276 1.00 0.00 O ATOM 0 H ASP A 21 81.644 5.307 6.588 1.00 0.00 H new ATOM 0 HA ASP A 21 81.856 7.950 7.994 1.00 0.00 H new ATOM 0 HB2 ASP A 21 82.388 5.351 9.152 1.00 0.00 H new ATOM 0 HB3 ASP A 21 83.947 6.056 8.774 1.00 0.00 H new ATOM 338 N PHE A 22 83.897 6.195 6.103 1.00 0.00 N ATOM 339 CA PHE A 22 84.947 6.368 5.058 1.00 0.00 C ATOM 340 C PHE A 22 84.317 6.317 3.665 1.00 0.00 C ATOM 341 O PHE A 22 84.604 5.439 2.875 1.00 0.00 O ATOM 342 CB PHE A 22 85.901 5.189 5.255 1.00 0.00 C ATOM 343 CG PHE A 22 86.487 5.232 6.647 1.00 0.00 C ATOM 344 CD1 PHE A 22 86.662 6.458 7.301 1.00 0.00 C ATOM 345 CD2 PHE A 22 86.862 4.042 7.282 1.00 0.00 C ATOM 346 CE1 PHE A 22 87.210 6.495 8.587 1.00 0.00 C ATOM 347 CE2 PHE A 22 87.412 4.078 8.570 1.00 0.00 C ATOM 348 CZ PHE A 22 87.586 5.304 9.222 1.00 0.00 C ATOM 0 H PHE A 22 83.649 5.228 6.312 1.00 0.00 H new ATOM 0 HA PHE A 22 85.459 7.326 5.143 1.00 0.00 H new ATOM 0 HB2 PHE A 22 85.369 4.250 5.103 1.00 0.00 H new ATOM 0 HB3 PHE A 22 86.699 5.227 4.513 1.00 0.00 H new ATOM 0 HD1 PHE A 22 86.373 7.376 6.811 1.00 0.00 H new ATOM 0 HD2 PHE A 22 86.727 3.096 6.779 1.00 0.00 H new ATOM 0 HE1 PHE A 22 87.343 7.441 9.090 1.00 0.00 H new ATOM 0 HE2 PHE A 22 87.702 3.160 9.060 1.00 0.00 H new ATOM 0 HZ PHE A 22 88.010 5.332 10.215 1.00 0.00 H new ATOM 358 N ASN A 23 83.459 7.251 3.355 1.00 0.00 N ATOM 359 CA ASN A 23 82.813 7.251 2.011 1.00 0.00 C ATOM 360 C ASN A 23 82.939 8.631 1.361 1.00 0.00 C ATOM 361 O ASN A 23 82.653 9.643 1.970 1.00 0.00 O ATOM 362 CB ASN A 23 81.344 6.919 2.278 1.00 0.00 C ATOM 363 CG ASN A 23 80.573 6.917 0.957 1.00 0.00 C ATOM 364 OD1 ASN A 23 81.143 6.689 -0.092 1.00 0.00 O ATOM 365 ND2 ASN A 23 79.292 7.162 0.962 1.00 0.00 N ATOM 0 H ASN A 23 83.178 8.012 3.973 1.00 0.00 H new ATOM 0 HA ASN A 23 83.277 6.537 1.331 1.00 0.00 H new ATOM 0 HB2 ASN A 23 81.262 5.945 2.761 1.00 0.00 H new ATOM 0 HB3 ASN A 23 80.913 7.651 2.962 1.00 0.00 H new ATOM 0 HD21 ASN A 23 78.769 7.162 0.086 1.00 0.00 H new ATOM 0 HD22 ASN A 23 78.813 7.353 1.842 1.00 0.00 H new ATOM 372 N ASN A 24 83.360 8.680 0.128 1.00 0.00 N ATOM 373 CA ASN A 24 83.498 9.993 -0.562 1.00 0.00 C ATOM 374 C ASN A 24 84.160 11.015 0.367 1.00 0.00 C ATOM 375 O ASN A 24 83.496 11.784 1.034 1.00 0.00 O ATOM 376 CB ASN A 24 82.065 10.410 -0.884 1.00 0.00 C ATOM 377 CG ASN A 24 82.061 11.341 -2.098 1.00 0.00 C ATOM 378 OD1 ASN A 24 81.678 10.944 -3.181 1.00 0.00 O ATOM 379 ND2 ASN A 24 82.471 12.572 -1.962 1.00 0.00 N ATOM 0 H ASN A 24 83.615 7.867 -0.432 1.00 0.00 H new ATOM 0 HA ASN A 24 84.121 9.932 -1.455 1.00 0.00 H new ATOM 0 HB2 ASN A 24 81.456 9.529 -1.087 1.00 0.00 H new ATOM 0 HB3 ASN A 24 81.621 10.914 -0.026 1.00 0.00 H new ATOM 0 HD21 ASN A 24 82.470 13.201 -2.765 1.00 0.00 H new ATOM 0 HD22 ASN A 24 82.792 12.905 -1.053 1.00 0.00 H new ATOM 386 N TYR A 25 85.466 11.030 0.417 1.00 0.00 N ATOM 387 CA TYR A 25 86.168 12.003 1.303 1.00 0.00 C ATOM 388 C TYR A 25 87.496 12.425 0.668 1.00 0.00 C ATOM 389 O TYR A 25 88.068 11.711 -0.129 1.00 0.00 O ATOM 390 CB TYR A 25 86.413 11.239 2.605 1.00 0.00 C ATOM 391 CG TYR A 25 87.251 12.080 3.538 1.00 0.00 C ATOM 392 CD1 TYR A 25 88.619 12.250 3.288 1.00 0.00 C ATOM 393 CD2 TYR A 25 86.662 12.689 4.651 1.00 0.00 C ATOM 394 CE1 TYR A 25 89.396 13.030 4.153 1.00 0.00 C ATOM 395 CE2 TYR A 25 87.440 13.469 5.517 1.00 0.00 C ATOM 396 CZ TYR A 25 88.807 13.639 5.267 1.00 0.00 C ATOM 397 OH TYR A 25 89.574 14.407 6.120 1.00 0.00 O ATOM 0 H TYR A 25 86.076 10.411 -0.117 1.00 0.00 H new ATOM 0 HA TYR A 25 85.590 12.913 1.466 1.00 0.00 H new ATOM 0 HB2 TYR A 25 85.462 10.992 3.077 1.00 0.00 H new ATOM 0 HB3 TYR A 25 86.919 10.297 2.395 1.00 0.00 H new ATOM 0 HD1 TYR A 25 89.074 11.780 2.429 1.00 0.00 H new ATOM 0 HD2 TYR A 25 85.607 12.558 4.843 1.00 0.00 H new ATOM 0 HE1 TYR A 25 90.450 13.162 3.960 1.00 0.00 H new ATOM 0 HE2 TYR A 25 86.985 13.939 6.377 1.00 0.00 H new ATOM 0 HH TYR A 25 89.033 14.679 6.890 1.00 0.00 H new ATOM 407 N GLY A 26 87.990 13.583 1.012 1.00 0.00 N ATOM 408 CA GLY A 26 89.281 14.043 0.425 1.00 0.00 C ATOM 409 C GLY A 26 89.267 13.812 -1.085 1.00 0.00 C ATOM 410 O GLY A 26 88.243 13.528 -1.673 1.00 0.00 O ATOM 0 H GLY A 26 87.557 14.229 1.672 1.00 0.00 H new ATOM 0 HA2 GLY A 26 89.434 15.101 0.640 1.00 0.00 H new ATOM 0 HA3 GLY A 26 90.112 13.502 0.878 1.00 0.00 H new ATOM 414 N CYS A 27 90.400 13.939 -1.717 1.00 0.00 N ATOM 415 CA CYS A 27 90.461 13.735 -3.192 1.00 0.00 C ATOM 416 C CYS A 27 90.611 12.249 -3.527 1.00 0.00 C ATOM 417 O CYS A 27 90.209 11.799 -4.583 1.00 0.00 O ATOM 418 CB CYS A 27 91.703 14.506 -3.642 1.00 0.00 C ATOM 419 SG CYS A 27 91.646 16.184 -2.969 1.00 0.00 S ATOM 0 H CYS A 27 91.288 14.176 -1.275 1.00 0.00 H new ATOM 0 HA CYS A 27 89.554 14.079 -3.689 1.00 0.00 H new ATOM 0 HB2 CYS A 27 92.604 13.996 -3.301 1.00 0.00 H new ATOM 0 HB3 CYS A 27 91.749 14.540 -4.731 1.00 0.00 H new ATOM 424 N TYR A 28 91.197 11.483 -2.648 1.00 0.00 N ATOM 425 CA TYR A 28 91.382 10.032 -2.931 1.00 0.00 C ATOM 426 C TYR A 28 90.219 9.212 -2.365 1.00 0.00 C ATOM 427 O TYR A 28 89.494 8.567 -3.096 1.00 0.00 O ATOM 428 CB TYR A 28 92.692 9.667 -2.238 1.00 0.00 C ATOM 429 CG TYR A 28 93.820 10.439 -2.878 1.00 0.00 C ATOM 430 CD1 TYR A 28 94.413 9.964 -4.054 1.00 0.00 C ATOM 431 CD2 TYR A 28 94.271 11.632 -2.299 1.00 0.00 C ATOM 432 CE1 TYR A 28 95.457 10.681 -4.651 1.00 0.00 C ATOM 433 CE2 TYR A 28 95.316 12.349 -2.896 1.00 0.00 C ATOM 434 CZ TYR A 28 95.908 11.873 -4.072 1.00 0.00 C ATOM 435 OH TYR A 28 96.938 12.579 -4.660 1.00 0.00 O ATOM 0 H TYR A 28 91.555 11.799 -1.747 1.00 0.00 H new ATOM 0 HA TYR A 28 91.409 9.822 -4.000 1.00 0.00 H new ATOM 0 HB2 TYR A 28 92.633 9.900 -1.175 1.00 0.00 H new ATOM 0 HB3 TYR A 28 92.875 8.596 -2.320 1.00 0.00 H new ATOM 0 HD1 TYR A 28 94.065 9.044 -4.501 1.00 0.00 H new ATOM 0 HD2 TYR A 28 93.813 11.999 -1.392 1.00 0.00 H new ATOM 0 HE1 TYR A 28 95.914 10.314 -5.558 1.00 0.00 H new ATOM 0 HE2 TYR A 28 95.665 13.268 -2.449 1.00 0.00 H new ATOM 0 HH TYR A 28 96.668 13.513 -4.779 1.00 0.00 H new ATOM 445 N CYS A 29 90.033 9.222 -1.072 1.00 0.00 N ATOM 446 CA CYS A 29 88.913 8.433 -0.482 1.00 0.00 C ATOM 447 C CYS A 29 87.622 8.682 -1.265 1.00 0.00 C ATOM 448 O CYS A 29 86.900 9.624 -1.003 1.00 0.00 O ATOM 449 CB CYS A 29 88.773 8.935 0.954 1.00 0.00 C ATOM 450 SG CYS A 29 90.359 8.765 1.810 1.00 0.00 S ATOM 0 H CYS A 29 90.604 9.739 -0.403 1.00 0.00 H new ATOM 0 HA CYS A 29 89.107 7.361 -0.516 1.00 0.00 H new ATOM 0 HB2 CYS A 29 88.456 9.978 0.957 1.00 0.00 H new ATOM 0 HB3 CYS A 29 88.003 8.367 1.476 1.00 0.00 H new ATOM 455 N GLY A 30 87.325 7.850 -2.224 1.00 0.00 N ATOM 456 CA GLY A 30 86.080 8.049 -3.019 1.00 0.00 C ATOM 457 C GLY A 30 86.065 7.079 -4.202 1.00 0.00 C ATOM 458 O GLY A 30 86.939 6.248 -4.349 1.00 0.00 O ATOM 0 H GLY A 30 87.888 7.043 -2.492 1.00 0.00 H new ATOM 0 HA2 GLY A 30 85.205 7.885 -2.390 1.00 0.00 H new ATOM 0 HA3 GLY A 30 86.026 9.077 -3.378 1.00 0.00 H new ATOM 506 N GLY A 35 94.140 14.854 -6.969 1.00 0.00 N ATOM 507 CA GLY A 35 94.558 16.194 -6.470 1.00 0.00 C ATOM 508 C GLY A 35 95.267 16.037 -5.125 1.00 0.00 C ATOM 509 O GLY A 35 95.457 14.939 -4.638 1.00 0.00 O ATOM 0 HA2 GLY A 35 95.223 16.671 -7.190 1.00 0.00 H new ATOM 0 HA3 GLY A 35 93.688 16.841 -6.361 1.00 0.00 H new ATOM 513 N THR A 36 95.662 17.122 -4.519 1.00 0.00 N ATOM 514 CA THR A 36 96.359 17.028 -3.203 1.00 0.00 C ATOM 515 C THR A 36 95.381 16.570 -2.119 1.00 0.00 C ATOM 516 O THR A 36 94.229 16.955 -2.116 1.00 0.00 O ATOM 517 CB THR A 36 96.856 18.447 -2.917 1.00 0.00 C ATOM 518 OG1 THR A 36 97.948 18.745 -3.777 1.00 0.00 O ATOM 519 CG2 THR A 36 97.312 18.557 -1.459 1.00 0.00 C ATOM 0 H THR A 36 95.533 18.069 -4.876 1.00 0.00 H new ATOM 0 HA THR A 36 97.176 16.306 -3.217 1.00 0.00 H new ATOM 0 HB THR A 36 96.045 19.154 -3.092 1.00 0.00 H new ATOM 0 HG1 THR A 36 98.267 19.654 -3.597 1.00 0.00 H new ATOM 0 HG21 THR A 36 97.664 19.570 -1.263 1.00 0.00 H new ATOM 0 HG22 THR A 36 96.476 18.330 -0.798 1.00 0.00 H new ATOM 0 HG23 THR A 36 98.121 17.850 -1.277 1.00 0.00 H new ATOM 527 N PRO A 37 95.882 15.758 -1.228 1.00 0.00 N ATOM 528 CA PRO A 37 95.050 15.236 -0.115 1.00 0.00 C ATOM 529 C PRO A 37 94.721 16.358 0.873 1.00 0.00 C ATOM 530 O PRO A 37 95.391 17.372 0.921 1.00 0.00 O ATOM 531 CB PRO A 37 95.942 14.176 0.530 1.00 0.00 C ATOM 532 CG PRO A 37 97.336 14.582 0.173 1.00 0.00 C ATOM 533 CD PRO A 37 97.260 15.257 -1.170 1.00 0.00 C ATOM 0 HA PRO A 37 94.092 14.833 -0.443 1.00 0.00 H new ATOM 0 HB2 PRO A 37 95.803 14.146 1.611 1.00 0.00 H new ATOM 0 HB3 PRO A 37 95.711 13.180 0.151 1.00 0.00 H new ATOM 0 HG2 PRO A 37 97.746 15.258 0.923 1.00 0.00 H new ATOM 0 HG3 PRO A 37 97.994 13.714 0.133 1.00 0.00 H new ATOM 0 HD2 PRO A 37 97.985 16.067 -1.253 1.00 0.00 H new ATOM 0 HD3 PRO A 37 97.467 14.559 -1.981 1.00 0.00 H new ATOM 541 N VAL A 38 93.690 16.191 1.656 1.00 0.00 N ATOM 542 CA VAL A 38 93.318 17.255 2.632 1.00 0.00 C ATOM 543 C VAL A 38 93.616 16.798 4.062 1.00 0.00 C ATOM 544 O VAL A 38 93.656 17.592 4.981 1.00 0.00 O ATOM 545 CB VAL A 38 91.816 17.457 2.438 1.00 0.00 C ATOM 546 CG1 VAL A 38 91.537 17.838 0.983 1.00 0.00 C ATOM 547 CG2 VAL A 38 91.080 16.159 2.774 1.00 0.00 C ATOM 0 H VAL A 38 93.090 15.366 1.662 1.00 0.00 H new ATOM 0 HA VAL A 38 93.881 18.175 2.472 1.00 0.00 H new ATOM 0 HB VAL A 38 91.468 18.253 3.096 1.00 0.00 H new ATOM 0 HG11 VAL A 38 90.466 17.982 0.844 1.00 0.00 H new ATOM 0 HG12 VAL A 38 92.062 18.762 0.742 1.00 0.00 H new ATOM 0 HG13 VAL A 38 91.884 17.041 0.325 1.00 0.00 H new ATOM 0 HG21 VAL A 38 90.008 16.302 2.636 1.00 0.00 H new ATOM 0 HG22 VAL A 38 91.428 15.363 2.116 1.00 0.00 H new ATOM 0 HG23 VAL A 38 91.279 15.886 3.810 1.00 0.00 H new ATOM 557 N ASP A 39 93.823 15.525 4.261 1.00 0.00 N ATOM 558 CA ASP A 39 94.114 15.027 5.635 1.00 0.00 C ATOM 559 C ASP A 39 94.874 13.698 5.570 1.00 0.00 C ATOM 560 O ASP A 39 94.952 13.066 4.534 1.00 0.00 O ATOM 561 CB ASP A 39 92.742 14.829 6.281 1.00 0.00 C ATOM 562 CG ASP A 39 92.893 14.807 7.802 1.00 0.00 C ATOM 563 OD1 ASP A 39 94.021 14.788 8.266 1.00 0.00 O ATOM 564 OD2 ASP A 39 91.878 14.811 8.479 1.00 0.00 O ATOM 0 H ASP A 39 93.803 14.810 3.534 1.00 0.00 H new ATOM 0 HA ASP A 39 94.737 15.719 6.201 1.00 0.00 H new ATOM 0 HB2 ASP A 39 92.069 15.633 5.983 1.00 0.00 H new ATOM 0 HB3 ASP A 39 92.297 13.896 5.936 1.00 0.00 H new ATOM 569 N ASP A 40 95.434 13.272 6.669 1.00 0.00 N ATOM 570 CA ASP A 40 96.190 11.987 6.672 1.00 0.00 C ATOM 571 C ASP A 40 95.305 10.849 6.156 1.00 0.00 C ATOM 572 O ASP A 40 95.687 10.108 5.275 1.00 0.00 O ATOM 573 CB ASP A 40 96.566 11.753 8.136 1.00 0.00 C ATOM 574 CG ASP A 40 95.349 12.016 9.025 1.00 0.00 C ATOM 575 OD1 ASP A 40 94.463 11.178 9.047 1.00 0.00 O ATOM 576 OD2 ASP A 40 95.324 13.051 9.670 1.00 0.00 O ATOM 0 H ASP A 40 95.401 13.758 7.565 1.00 0.00 H new ATOM 0 HA ASP A 40 97.067 12.023 6.026 1.00 0.00 H new ATOM 0 HB2 ASP A 40 96.915 10.730 8.273 1.00 0.00 H new ATOM 0 HB3 ASP A 40 97.387 12.411 8.421 1.00 0.00 H new ATOM 581 N LEU A 41 94.126 10.696 6.692 1.00 0.00 N ATOM 582 CA LEU A 41 93.245 9.599 6.206 1.00 0.00 C ATOM 583 C LEU A 41 93.193 9.625 4.678 1.00 0.00 C ATOM 584 O LEU A 41 93.232 8.600 4.025 1.00 0.00 O ATOM 585 CB LEU A 41 91.868 9.885 6.800 1.00 0.00 C ATOM 586 CG LEU A 41 90.993 8.641 6.659 1.00 0.00 C ATOM 587 CD1 LEU A 41 91.609 7.493 7.459 1.00 0.00 C ATOM 588 CD2 LEU A 41 89.590 8.936 7.191 1.00 0.00 C ATOM 0 H LEU A 41 93.738 11.276 7.436 1.00 0.00 H new ATOM 0 HA LEU A 41 93.605 8.614 6.503 1.00 0.00 H new ATOM 0 HB2 LEU A 41 91.962 10.161 7.850 1.00 0.00 H new ATOM 0 HB3 LEU A 41 91.406 10.729 6.288 1.00 0.00 H new ATOM 0 HG LEU A 41 90.929 8.361 5.607 1.00 0.00 H new ATOM 0 HD11 LEU A 41 90.986 6.604 7.359 1.00 0.00 H new ATOM 0 HD12 LEU A 41 92.608 7.280 7.079 1.00 0.00 H new ATOM 0 HD13 LEU A 41 91.673 7.775 8.510 1.00 0.00 H new ATOM 0 HD21 LEU A 41 88.968 8.047 7.089 1.00 0.00 H new ATOM 0 HD22 LEU A 41 89.651 9.218 8.242 1.00 0.00 H new ATOM 0 HD23 LEU A 41 89.149 9.754 6.621 1.00 0.00 H new ATOM 600 N ASP A 42 93.122 10.794 4.099 1.00 0.00 N ATOM 601 CA ASP A 42 93.086 10.886 2.614 1.00 0.00 C ATOM 602 C ASP A 42 94.368 10.283 2.041 1.00 0.00 C ATOM 603 O ASP A 42 94.343 9.551 1.070 1.00 0.00 O ATOM 604 CB ASP A 42 93.009 12.383 2.311 1.00 0.00 C ATOM 605 CG ASP A 42 92.395 12.596 0.927 1.00 0.00 C ATOM 606 OD1 ASP A 42 91.882 11.638 0.374 1.00 0.00 O ATOM 607 OD2 ASP A 42 92.449 13.714 0.442 1.00 0.00 O ATOM 0 H ASP A 42 93.088 11.687 4.591 1.00 0.00 H new ATOM 0 HA ASP A 42 92.247 10.346 2.175 1.00 0.00 H new ATOM 0 HB2 ASP A 42 92.408 12.887 3.068 1.00 0.00 H new ATOM 0 HB3 ASP A 42 94.005 12.824 2.350 1.00 0.00 H new ATOM 612 N ARG A 43 95.490 10.572 2.644 1.00 0.00 N ATOM 613 CA ARG A 43 96.768 10.001 2.145 1.00 0.00 C ATOM 614 C ARG A 43 96.651 8.483 2.087 1.00 0.00 C ATOM 615 O ARG A 43 97.158 7.842 1.189 1.00 0.00 O ATOM 616 CB ARG A 43 97.815 10.418 3.175 1.00 0.00 C ATOM 617 CG ARG A 43 98.321 11.816 2.839 1.00 0.00 C ATOM 618 CD ARG A 43 99.817 11.756 2.546 1.00 0.00 C ATOM 619 NE ARG A 43 99.990 10.635 1.589 1.00 0.00 N ATOM 620 CZ ARG A 43 101.127 10.471 0.971 1.00 0.00 C ATOM 621 NH1 ARG A 43 102.093 9.807 1.545 1.00 0.00 N ATOM 622 NH2 ARG A 43 101.298 10.971 -0.222 1.00 0.00 N ATOM 0 H ARG A 43 95.574 11.179 3.460 1.00 0.00 H new ATOM 0 HA ARG A 43 97.026 10.350 1.145 1.00 0.00 H new ATOM 0 HB2 ARG A 43 97.383 10.406 4.176 1.00 0.00 H new ATOM 0 HB3 ARG A 43 98.643 9.709 3.177 1.00 0.00 H new ATOM 0 HG2 ARG A 43 97.786 12.211 1.976 1.00 0.00 H new ATOM 0 HG3 ARG A 43 98.129 12.494 3.671 1.00 0.00 H new ATOM 0 HD2 ARG A 43 100.171 12.694 2.119 1.00 0.00 H new ATOM 0 HD3 ARG A 43 100.389 11.585 3.458 1.00 0.00 H new ATOM 0 HE ARG A 43 99.218 9.991 1.414 1.00 0.00 H new ATOM 0 HH11 ARG A 43 101.959 9.416 2.477 1.00 0.00 H new ATOM 0 HH12 ARG A 43 102.982 9.679 1.061 1.00 0.00 H new ATOM 0 HH21 ARG A 43 100.543 11.490 -0.671 1.00 0.00 H new ATOM 0 HH22 ARG A 43 102.187 10.843 -0.706 1.00 0.00 H new ATOM 636 N CYS A 44 95.976 7.905 3.040 1.00 0.00 N ATOM 637 CA CYS A 44 95.814 6.434 3.040 1.00 0.00 C ATOM 638 C CYS A 44 95.149 6.006 1.735 1.00 0.00 C ATOM 639 O CYS A 44 95.545 5.044 1.106 1.00 0.00 O ATOM 640 CB CYS A 44 94.906 6.130 4.232 1.00 0.00 C ATOM 641 SG CYS A 44 95.630 6.815 5.744 1.00 0.00 S ATOM 0 H CYS A 44 95.531 8.392 3.818 1.00 0.00 H new ATOM 0 HA CYS A 44 96.763 5.903 3.118 1.00 0.00 H new ATOM 0 HB2 CYS A 44 93.917 6.557 4.066 1.00 0.00 H new ATOM 0 HB3 CYS A 44 94.775 5.053 4.336 1.00 0.00 H new ATOM 646 N CYS A 45 94.146 6.727 1.319 1.00 0.00 N ATOM 647 CA CYS A 45 93.456 6.382 0.046 1.00 0.00 C ATOM 648 C CYS A 45 94.425 6.570 -1.120 1.00 0.00 C ATOM 649 O CYS A 45 94.599 5.697 -1.947 1.00 0.00 O ATOM 650 CB CYS A 45 92.287 7.365 -0.054 1.00 0.00 C ATOM 651 SG CYS A 45 91.054 6.966 1.210 1.00 0.00 S ATOM 0 H CYS A 45 93.774 7.542 1.807 1.00 0.00 H new ATOM 0 HA CYS A 45 93.110 5.349 0.018 1.00 0.00 H new ATOM 0 HB2 CYS A 45 92.644 8.386 0.080 1.00 0.00 H new ATOM 0 HB3 CYS A 45 91.837 7.312 -1.046 1.00 0.00 H new ATOM 656 N GLN A 46 95.075 7.702 -1.182 1.00 0.00 N ATOM 657 CA GLN A 46 96.051 7.940 -2.282 1.00 0.00 C ATOM 658 C GLN A 46 97.090 6.820 -2.280 1.00 0.00 C ATOM 659 O GLN A 46 97.518 6.348 -3.315 1.00 0.00 O ATOM 660 CB GLN A 46 96.705 9.282 -1.947 1.00 0.00 C ATOM 661 CG GLN A 46 97.976 9.458 -2.780 1.00 0.00 C ATOM 662 CD GLN A 46 98.478 10.891 -2.643 1.00 0.00 C ATOM 663 OE1 GLN A 46 97.937 11.669 -1.883 1.00 0.00 O ATOM 664 NE2 GLN A 46 99.499 11.275 -3.354 1.00 0.00 N ATOM 0 H GLN A 46 94.972 8.470 -0.519 1.00 0.00 H new ATOM 0 HA GLN A 46 95.586 7.956 -3.268 1.00 0.00 H new ATOM 0 HB2 GLN A 46 96.010 10.097 -2.150 1.00 0.00 H new ATOM 0 HB3 GLN A 46 96.946 9.325 -0.885 1.00 0.00 H new ATOM 0 HG2 GLN A 46 98.743 8.759 -2.446 1.00 0.00 H new ATOM 0 HG3 GLN A 46 97.772 9.231 -3.826 1.00 0.00 H new ATOM 0 HE21 GLN A 46 99.952 10.620 -3.992 1.00 0.00 H new ATOM 0 HE22 GLN A 46 99.846 12.231 -3.273 1.00 0.00 H new ATOM 673 N THR A 47 97.491 6.388 -1.118 1.00 0.00 N ATOM 674 CA THR A 47 98.490 5.298 -1.026 1.00 0.00 C ATOM 675 C THR A 47 97.854 3.972 -1.446 1.00 0.00 C ATOM 676 O THR A 47 98.499 3.114 -2.016 1.00 0.00 O ATOM 677 CB THR A 47 98.895 5.256 0.447 1.00 0.00 C ATOM 678 OG1 THR A 47 99.637 6.426 0.764 1.00 0.00 O ATOM 679 CG2 THR A 47 99.750 4.016 0.709 1.00 0.00 C ATOM 0 H THR A 47 97.164 6.749 -0.222 1.00 0.00 H new ATOM 0 HA THR A 47 99.348 5.463 -1.678 1.00 0.00 H new ATOM 0 HB THR A 47 98.002 5.213 1.070 1.00 0.00 H new ATOM 0 HG1 THR A 47 99.020 7.162 0.958 1.00 0.00 H new ATOM 0 HG21 THR A 47 100.038 3.988 1.760 1.00 0.00 H new ATOM 0 HG22 THR A 47 99.177 3.121 0.466 1.00 0.00 H new ATOM 0 HG23 THR A 47 100.645 4.054 0.089 1.00 0.00 H new ATOM 687 N HIS A 48 96.585 3.803 -1.180 1.00 0.00 N ATOM 688 CA HIS A 48 95.906 2.538 -1.576 1.00 0.00 C ATOM 689 C HIS A 48 95.926 2.422 -3.095 1.00 0.00 C ATOM 690 O HIS A 48 96.398 1.451 -3.652 1.00 0.00 O ATOM 691 CB HIS A 48 94.470 2.677 -1.072 1.00 0.00 C ATOM 692 CG HIS A 48 93.671 1.477 -1.502 1.00 0.00 C ATOM 693 ND1 HIS A 48 92.391 1.590 -2.022 1.00 0.00 N ATOM 694 CD2 HIS A 48 93.958 0.135 -1.502 1.00 0.00 C ATOM 695 CE1 HIS A 48 91.960 0.349 -2.310 1.00 0.00 C ATOM 696 NE2 HIS A 48 92.876 -0.576 -2.012 1.00 0.00 N ATOM 0 H HIS A 48 95.993 4.485 -0.707 1.00 0.00 H new ATOM 0 HA HIS A 48 96.389 1.652 -1.164 1.00 0.00 H new ATOM 0 HB2 HIS A 48 94.461 2.763 0.015 1.00 0.00 H new ATOM 0 HB3 HIS A 48 94.021 3.588 -1.468 1.00 0.00 H new ATOM 0 HD2 HIS A 48 94.883 -0.303 -1.158 1.00 0.00 H new ATOM 0 HE1 HIS A 48 90.991 0.127 -2.731 1.00 0.00 H new ATOM 0 HE2 HIS A 48 92.799 -1.586 -2.132 1.00 0.00 H new ATOM 704 N ASP A 49 95.426 3.419 -3.765 1.00 0.00 N ATOM 705 CA ASP A 49 95.425 3.386 -5.248 1.00 0.00 C ATOM 706 C ASP A 49 96.855 3.168 -5.741 1.00 0.00 C ATOM 707 O ASP A 49 97.101 2.427 -6.671 1.00 0.00 O ATOM 708 CB ASP A 49 94.904 4.757 -5.681 1.00 0.00 C ATOM 709 CG ASP A 49 93.377 4.717 -5.772 1.00 0.00 C ATOM 710 OD1 ASP A 49 92.751 4.417 -4.768 1.00 0.00 O ATOM 711 OD2 ASP A 49 92.859 4.987 -6.843 1.00 0.00 O ATOM 0 H ASP A 49 95.018 4.256 -3.348 1.00 0.00 H new ATOM 0 HA ASP A 49 94.809 2.584 -5.655 1.00 0.00 H new ATOM 0 HB2 ASP A 49 95.217 5.519 -4.967 1.00 0.00 H new ATOM 0 HB3 ASP A 49 95.329 5.031 -6.646 1.00 0.00 H new ATOM 716 N ASN A 50 97.799 3.806 -5.106 1.00 0.00 N ATOM 717 CA ASN A 50 99.218 3.642 -5.510 1.00 0.00 C ATOM 718 C ASN A 50 99.615 2.169 -5.412 1.00 0.00 C ATOM 719 O ASN A 50 100.430 1.681 -6.170 1.00 0.00 O ATOM 720 CB ASN A 50 100.012 4.484 -4.506 1.00 0.00 C ATOM 721 CG ASN A 50 99.854 5.968 -4.843 1.00 0.00 C ATOM 722 OD1 ASN A 50 99.206 6.318 -5.809 1.00 0.00 O ATOM 723 ND2 ASN A 50 100.422 6.862 -4.079 1.00 0.00 N ATOM 0 H ASN A 50 97.644 4.437 -4.320 1.00 0.00 H new ATOM 0 HA ASN A 50 99.402 3.956 -6.537 1.00 0.00 H new ATOM 0 HB2 ASN A 50 99.658 4.291 -3.493 1.00 0.00 H new ATOM 0 HB3 ASN A 50 101.065 4.204 -4.534 1.00 0.00 H new ATOM 0 HD21 ASN A 50 100.321 7.854 -4.293 1.00 0.00 H new ATOM 0 HD22 ASN A 50 100.966 6.568 -3.268 1.00 0.00 H new ATOM 730 N CYS A 51 99.038 1.457 -4.483 1.00 0.00 N ATOM 731 CA CYS A 51 99.371 0.012 -4.332 1.00 0.00 C ATOM 732 C CYS A 51 98.736 -0.787 -5.474 1.00 0.00 C ATOM 733 O CYS A 51 99.329 -1.702 -6.009 1.00 0.00 O ATOM 734 CB CYS A 51 98.768 -0.394 -2.987 1.00 0.00 C ATOM 735 SG CYS A 51 99.580 -1.897 -2.386 1.00 0.00 S ATOM 0 H CYS A 51 98.349 1.814 -3.821 1.00 0.00 H new ATOM 0 HA CYS A 51 100.444 -0.177 -4.366 1.00 0.00 H new ATOM 0 HB2 CYS A 51 98.891 0.412 -2.264 1.00 0.00 H new ATOM 0 HB3 CYS A 51 97.697 -0.565 -3.094 1.00 0.00 H new ATOM 740 N TYR A 52 97.536 -0.441 -5.856 1.00 0.00 N ATOM 741 CA TYR A 52 96.869 -1.176 -6.969 1.00 0.00 C ATOM 742 C TYR A 52 97.657 -0.980 -8.265 1.00 0.00 C ATOM 743 O TYR A 52 97.620 -1.802 -9.159 1.00 0.00 O ATOM 744 CB TYR A 52 95.478 -0.553 -7.083 1.00 0.00 C ATOM 745 CG TYR A 52 94.518 -1.308 -6.194 1.00 0.00 C ATOM 746 CD1 TYR A 52 94.924 -1.728 -4.922 1.00 0.00 C ATOM 747 CD2 TYR A 52 93.223 -1.590 -6.644 1.00 0.00 C ATOM 748 CE1 TYR A 52 94.034 -2.428 -4.098 1.00 0.00 C ATOM 749 CE2 TYR A 52 92.333 -2.291 -5.820 1.00 0.00 C ATOM 750 CZ TYR A 52 92.739 -2.710 -4.548 1.00 0.00 C ATOM 751 OH TYR A 52 91.862 -3.400 -3.737 1.00 0.00 O ATOM 0 H TYR A 52 96.990 0.317 -5.447 1.00 0.00 H new ATOM 0 HA TYR A 52 96.814 -2.249 -6.786 1.00 0.00 H new ATOM 0 HB2 TYR A 52 95.512 0.497 -6.792 1.00 0.00 H new ATOM 0 HB3 TYR A 52 95.136 -0.586 -8.117 1.00 0.00 H new ATOM 0 HD1 TYR A 52 95.924 -1.512 -4.576 1.00 0.00 H new ATOM 0 HD2 TYR A 52 92.910 -1.267 -7.626 1.00 0.00 H new ATOM 0 HE1 TYR A 52 94.347 -2.750 -3.116 1.00 0.00 H new ATOM 0 HE2 TYR A 52 91.333 -2.508 -6.166 1.00 0.00 H new ATOM 0 HH TYR A 52 92.046 -3.185 -2.799 1.00 0.00 H new ATOM 761 N LYS A 53 98.387 0.098 -8.366 1.00 0.00 N ATOM 762 CA LYS A 53 99.194 0.336 -9.598 1.00 0.00 C ATOM 763 C LYS A 53 100.402 -0.582 -9.555 1.00 0.00 C ATOM 764 O LYS A 53 100.630 -1.391 -10.434 1.00 0.00 O ATOM 765 CB LYS A 53 99.663 1.797 -9.532 1.00 0.00 C ATOM 766 CG LYS A 53 98.560 2.689 -8.967 1.00 0.00 C ATOM 767 CD LYS A 53 98.084 3.662 -10.049 1.00 0.00 C ATOM 768 CE LYS A 53 97.102 4.667 -9.442 1.00 0.00 C ATOM 769 NZ LYS A 53 96.633 5.489 -10.593 1.00 0.00 N ATOM 0 H LYS A 53 98.460 0.822 -7.651 1.00 0.00 H new ATOM 0 HA LYS A 53 98.625 0.146 -10.508 1.00 0.00 H new ATOM 0 HB2 LYS A 53 100.554 1.871 -8.908 1.00 0.00 H new ATOM 0 HB3 LYS A 53 99.942 2.141 -10.528 1.00 0.00 H new ATOM 0 HG2 LYS A 53 97.726 2.079 -8.620 1.00 0.00 H new ATOM 0 HG3 LYS A 53 98.931 3.242 -8.104 1.00 0.00 H new ATOM 0 HD2 LYS A 53 98.936 4.187 -10.480 1.00 0.00 H new ATOM 0 HD3 LYS A 53 97.604 3.114 -10.859 1.00 0.00 H new ATOM 0 HE2 LYS A 53 96.270 4.160 -8.954 1.00 0.00 H new ATOM 0 HE3 LYS A 53 97.586 5.285 -8.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 95.955 6.202 -10.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 97.446 5.965 -11.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 96.170 4.874 -11.293 1.00 0.00 H new ATOM 783 N GLN A 54 101.167 -0.460 -8.514 1.00 0.00 N ATOM 784 CA GLN A 54 102.368 -1.318 -8.360 1.00 0.00 C ATOM 785 C GLN A 54 101.964 -2.785 -8.494 1.00 0.00 C ATOM 786 O GLN A 54 102.687 -3.597 -9.035 1.00 0.00 O ATOM 787 CB GLN A 54 102.883 -1.029 -6.951 1.00 0.00 C ATOM 788 CG GLN A 54 103.754 0.228 -6.973 1.00 0.00 C ATOM 789 CD GLN A 54 104.832 0.121 -5.893 1.00 0.00 C ATOM 790 OE1 GLN A 54 105.887 -0.438 -6.122 1.00 0.00 O ATOM 791 NE2 GLN A 54 104.609 0.637 -4.715 1.00 0.00 N ATOM 0 H GLN A 54 101.011 0.204 -7.755 1.00 0.00 H new ATOM 0 HA GLN A 54 103.129 -1.119 -9.115 1.00 0.00 H new ATOM 0 HB2 GLN A 54 102.045 -0.892 -6.267 1.00 0.00 H new ATOM 0 HB3 GLN A 54 103.460 -1.877 -6.582 1.00 0.00 H new ATOM 0 HG2 GLN A 54 104.216 0.346 -7.953 1.00 0.00 H new ATOM 0 HG3 GLN A 54 103.140 1.112 -6.802 1.00 0.00 H new ATOM 0 HE21 GLN A 54 103.724 1.106 -4.523 1.00 0.00 H new ATOM 0 HE22 GLN A 54 105.320 0.571 -3.987 1.00 0.00 H new ATOM 800 N ALA A 55 100.803 -3.122 -8.004 1.00 0.00 N ATOM 801 CA ALA A 55 100.329 -4.532 -8.100 1.00 0.00 C ATOM 802 C ALA A 55 100.216 -4.942 -9.570 1.00 0.00 C ATOM 803 O ALA A 55 100.537 -6.052 -9.942 1.00 0.00 O ATOM 804 CB ALA A 55 98.953 -4.534 -7.433 1.00 0.00 C ATOM 0 H ALA A 55 100.160 -2.480 -7.540 1.00 0.00 H new ATOM 0 HA ALA A 55 101.011 -5.235 -7.622 1.00 0.00 H new ATOM 0 HB1 ALA A 55 98.536 -5.540 -7.463 1.00 0.00 H new ATOM 0 HB2 ALA A 55 99.051 -4.213 -6.396 1.00 0.00 H new ATOM 0 HB3 ALA A 55 98.290 -3.850 -7.964 1.00 0.00 H new ATOM 810 N LYS A 56 99.769 -4.046 -10.409 1.00 0.00 N ATOM 811 CA LYS A 56 99.645 -4.378 -11.856 1.00 0.00 C ATOM 812 C LYS A 56 101.037 -4.548 -12.468 1.00 0.00 C ATOM 813 O LYS A 56 101.246 -5.357 -13.351 1.00 0.00 O ATOM 814 CB LYS A 56 98.928 -3.181 -12.480 1.00 0.00 C ATOM 815 CG LYS A 56 97.490 -3.115 -11.966 1.00 0.00 C ATOM 816 CD LYS A 56 96.802 -1.875 -12.540 1.00 0.00 C ATOM 817 CE LYS A 56 95.504 -2.288 -13.237 1.00 0.00 C ATOM 818 NZ LYS A 56 94.512 -2.445 -12.138 1.00 0.00 N ATOM 0 H LYS A 56 99.485 -3.100 -10.154 1.00 0.00 H new ATOM 0 HA LYS A 56 99.101 -5.307 -12.025 1.00 0.00 H new ATOM 0 HB2 LYS A 56 99.455 -2.260 -12.232 1.00 0.00 H new ATOM 0 HB3 LYS A 56 98.932 -3.269 -13.566 1.00 0.00 H new ATOM 0 HG2 LYS A 56 96.946 -4.014 -12.257 1.00 0.00 H new ATOM 0 HG3 LYS A 56 97.483 -3.077 -10.877 1.00 0.00 H new ATOM 0 HD2 LYS A 56 96.589 -1.163 -11.743 1.00 0.00 H new ATOM 0 HD3 LYS A 56 97.463 -1.374 -13.247 1.00 0.00 H new ATOM 0 HE2 LYS A 56 95.183 -1.532 -13.954 1.00 0.00 H new ATOM 0 HE3 LYS A 56 95.631 -3.219 -13.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 93.594 -2.728 -12.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 94.841 -3.175 -11.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 94.407 -1.542 -11.634 1.00 0.00 H new ATOM 832 N LYS A 57 101.989 -3.786 -12.006 1.00 0.00 N ATOM 833 CA LYS A 57 103.366 -3.893 -12.552 1.00 0.00 C ATOM 834 C LYS A 57 103.923 -5.298 -12.314 1.00 0.00 C ATOM 835 O LYS A 57 104.662 -5.828 -13.119 1.00 0.00 O ATOM 836 CB LYS A 57 104.179 -2.855 -11.778 1.00 0.00 C ATOM 837 CG LYS A 57 104.007 -1.482 -12.431 1.00 0.00 C ATOM 838 CD LYS A 57 104.994 -0.492 -11.810 1.00 0.00 C ATOM 839 CE LYS A 57 105.844 0.144 -12.911 1.00 0.00 C ATOM 840 NZ LYS A 57 107.175 0.376 -12.285 1.00 0.00 N ATOM 0 H LYS A 57 101.869 -3.091 -11.270 1.00 0.00 H new ATOM 0 HA LYS A 57 103.399 -3.718 -13.627 1.00 0.00 H new ATOM 0 HB2 LYS A 57 103.849 -2.820 -10.740 1.00 0.00 H new ATOM 0 HB3 LYS A 57 105.232 -3.136 -11.768 1.00 0.00 H new ATOM 0 HG2 LYS A 57 104.177 -1.555 -13.505 1.00 0.00 H new ATOM 0 HG3 LYS A 57 102.985 -1.128 -12.293 1.00 0.00 H new ATOM 0 HD2 LYS A 57 104.454 0.280 -11.262 1.00 0.00 H new ATOM 0 HD3 LYS A 57 105.635 -1.004 -11.092 1.00 0.00 H new ATOM 0 HE2 LYS A 57 105.924 -0.513 -13.777 1.00 0.00 H new ATOM 0 HE3 LYS A 57 105.404 1.078 -13.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 107.814 0.811 -12.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 107.068 1.010 -11.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 107.573 -0.531 -11.969 1.00 0.00 H new ATOM 854 N LEU A 58 103.581 -5.901 -11.209 1.00 0.00 N ATOM 855 CA LEU A 58 104.093 -7.262 -10.913 1.00 0.00 C ATOM 856 C LEU A 58 103.848 -8.199 -12.097 1.00 0.00 C ATOM 857 O LEU A 58 102.849 -8.104 -12.781 1.00 0.00 O ATOM 858 CB LEU A 58 103.295 -7.720 -9.695 1.00 0.00 C ATOM 859 CG LEU A 58 104.158 -7.577 -8.443 1.00 0.00 C ATOM 860 CD1 LEU A 58 103.404 -6.762 -7.392 1.00 0.00 C ATOM 861 CD2 LEU A 58 104.468 -8.965 -7.887 1.00 0.00 C ATOM 0 H LEU A 58 102.966 -5.505 -10.498 1.00 0.00 H new ATOM 0 HA LEU A 58 105.167 -7.267 -10.729 1.00 0.00 H new ATOM 0 HB2 LEU A 58 102.388 -7.124 -9.595 1.00 0.00 H new ATOM 0 HB3 LEU A 58 102.983 -8.757 -9.819 1.00 0.00 H new ATOM 0 HG LEU A 58 105.088 -7.067 -8.695 1.00 0.00 H new ATOM 0 HD11 LEU A 58 104.021 -6.661 -6.499 1.00 0.00 H new ATOM 0 HD12 LEU A 58 103.178 -5.773 -7.791 1.00 0.00 H new ATOM 0 HD13 LEU A 58 102.475 -7.270 -7.135 1.00 0.00 H new ATOM 0 HD21 LEU A 58 105.084 -8.870 -6.993 1.00 0.00 H new ATOM 0 HD22 LEU A 58 103.537 -9.472 -7.634 1.00 0.00 H new ATOM 0 HD23 LEU A 58 105.005 -9.546 -8.637 1.00 0.00 H new ATOM 873 N ASP A 59 104.751 -9.109 -12.339 1.00 0.00 N ATOM 874 CA ASP A 59 104.564 -10.057 -13.474 1.00 0.00 C ATOM 875 C ASP A 59 103.284 -10.867 -13.265 1.00 0.00 C ATOM 876 O ASP A 59 102.430 -10.935 -14.126 1.00 0.00 O ATOM 877 CB ASP A 59 105.791 -10.970 -13.433 1.00 0.00 C ATOM 878 CG ASP A 59 105.817 -11.848 -14.683 1.00 0.00 C ATOM 879 OD1 ASP A 59 104.859 -12.575 -14.892 1.00 0.00 O ATOM 880 OD2 ASP A 59 106.793 -11.780 -15.411 1.00 0.00 O ATOM 0 H ASP A 59 105.608 -9.237 -11.801 1.00 0.00 H new ATOM 0 HA ASP A 59 104.470 -9.548 -14.433 1.00 0.00 H new ATOM 0 HB2 ASP A 59 106.700 -10.372 -13.377 1.00 0.00 H new ATOM 0 HB3 ASP A 59 105.764 -11.593 -12.539 1.00 0.00 H new ATOM 885 N SER A 60 103.145 -11.481 -12.121 1.00 0.00 N ATOM 886 CA SER A 60 101.924 -12.286 -11.846 1.00 0.00 C ATOM 887 C SER A 60 100.667 -11.493 -12.217 1.00 0.00 C ATOM 888 O SER A 60 99.821 -11.959 -12.951 1.00 0.00 O ATOM 889 CB SER A 60 101.963 -12.555 -10.342 1.00 0.00 C ATOM 890 OG SER A 60 103.299 -12.846 -9.953 1.00 0.00 O ATOM 0 H SER A 60 103.828 -11.459 -11.364 1.00 0.00 H new ATOM 0 HA SER A 60 101.897 -13.207 -12.428 1.00 0.00 H new ATOM 0 HB2 SER A 60 101.593 -11.687 -9.796 1.00 0.00 H new ATOM 0 HB3 SER A 60 101.309 -13.391 -10.093 1.00 0.00 H new ATOM 0 HG SER A 60 103.346 -13.761 -9.604 1.00 0.00 H new ATOM 896 N CYS A 61 100.539 -10.295 -11.715 1.00 0.00 N ATOM 897 CA CYS A 61 99.338 -9.474 -12.040 1.00 0.00 C ATOM 898 C CYS A 61 99.359 -9.061 -13.513 1.00 0.00 C ATOM 899 O CYS A 61 98.331 -8.842 -14.122 1.00 0.00 O ATOM 900 CB CYS A 61 99.446 -8.240 -11.142 1.00 0.00 C ATOM 901 SG CYS A 61 99.711 -8.756 -9.429 1.00 0.00 S ATOM 0 H CYS A 61 101.214 -9.849 -11.094 1.00 0.00 H new ATOM 0 HA CYS A 61 98.410 -10.022 -11.875 1.00 0.00 H new ATOM 0 HB2 CYS A 61 100.270 -7.608 -11.473 1.00 0.00 H new ATOM 0 HB3 CYS A 61 98.537 -7.643 -11.216 1.00 0.00 H new ATOM 906 N LYS A 62 100.524 -8.943 -14.087 1.00 0.00 N ATOM 907 CA LYS A 62 100.615 -8.532 -15.517 1.00 0.00 C ATOM 908 C LYS A 62 99.993 -9.592 -16.433 1.00 0.00 C ATOM 909 O LYS A 62 99.633 -9.310 -17.559 1.00 0.00 O ATOM 910 CB LYS A 62 102.111 -8.394 -15.794 1.00 0.00 C ATOM 911 CG LYS A 62 102.320 -7.941 -17.238 1.00 0.00 C ATOM 912 CD LYS A 62 103.802 -8.057 -17.602 1.00 0.00 C ATOM 913 CE LYS A 62 104.310 -6.706 -18.109 1.00 0.00 C ATOM 914 NZ LYS A 62 105.442 -6.358 -17.206 1.00 0.00 N ATOM 0 H LYS A 62 101.418 -9.114 -13.627 1.00 0.00 H new ATOM 0 HA LYS A 62 100.074 -7.605 -15.708 1.00 0.00 H new ATOM 0 HB2 LYS A 62 102.554 -7.673 -15.107 1.00 0.00 H new ATOM 0 HB3 LYS A 62 102.613 -9.346 -15.624 1.00 0.00 H new ATOM 0 HG2 LYS A 62 101.720 -8.553 -17.912 1.00 0.00 H new ATOM 0 HG3 LYS A 62 101.985 -6.911 -17.359 1.00 0.00 H new ATOM 0 HD2 LYS A 62 104.378 -8.371 -16.731 1.00 0.00 H new ATOM 0 HD3 LYS A 62 103.941 -8.820 -18.368 1.00 0.00 H new ATOM 0 HE2 LYS A 62 104.638 -6.771 -19.146 1.00 0.00 H new ATOM 0 HE3 LYS A 62 103.526 -5.949 -18.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 105.844 -5.442 -17.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 105.098 -6.296 -16.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 106.175 -7.093 -17.270 1.00 0.00 H new ATOM 928 N VAL A 63 99.860 -10.808 -15.972 1.00 0.00 N ATOM 929 CA VAL A 63 99.260 -11.862 -16.845 1.00 0.00 C ATOM 930 C VAL A 63 98.721 -13.034 -16.013 1.00 0.00 C ATOM 931 O VAL A 63 97.762 -13.678 -16.391 1.00 0.00 O ATOM 932 CB VAL A 63 100.403 -12.323 -17.751 1.00 0.00 C ATOM 933 CG1 VAL A 63 101.613 -12.709 -16.901 1.00 0.00 C ATOM 934 CG2 VAL A 63 99.947 -13.536 -18.566 1.00 0.00 C ATOM 0 H VAL A 63 100.137 -11.116 -15.040 1.00 0.00 H new ATOM 0 HA VAL A 63 98.412 -11.480 -17.413 1.00 0.00 H new ATOM 0 HB VAL A 63 100.680 -11.511 -18.424 1.00 0.00 H new ATOM 0 HG11 VAL A 63 102.424 -13.037 -17.551 1.00 0.00 H new ATOM 0 HG12 VAL A 63 101.939 -11.847 -16.320 1.00 0.00 H new ATOM 0 HG13 VAL A 63 101.339 -13.519 -16.225 1.00 0.00 H new ATOM 0 HG21 VAL A 63 100.760 -13.866 -19.213 1.00 0.00 H new ATOM 0 HG22 VAL A 63 99.669 -14.345 -17.890 1.00 0.00 H new ATOM 0 HG23 VAL A 63 99.087 -13.262 -19.176 1.00 0.00 H new ATOM 1019 N TYR A 69 90.990 -6.153 -9.944 1.00 0.00 N ATOM 1020 CA TYR A 69 89.673 -5.769 -9.361 1.00 0.00 C ATOM 1021 C TYR A 69 88.738 -6.980 -9.344 1.00 0.00 C ATOM 1022 O TYR A 69 88.153 -7.312 -8.333 1.00 0.00 O ATOM 1023 CB TYR A 69 89.126 -4.678 -10.284 1.00 0.00 C ATOM 1024 CG TYR A 69 88.417 -3.619 -9.449 1.00 0.00 C ATOM 1025 CD1 TYR A 69 89.142 -2.546 -8.917 1.00 0.00 C ATOM 1026 CD2 TYR A 69 87.040 -3.718 -9.214 1.00 0.00 C ATOM 1027 CE1 TYR A 69 88.491 -1.573 -8.149 1.00 0.00 C ATOM 1028 CE2 TYR A 69 86.388 -2.745 -8.446 1.00 0.00 C ATOM 1029 CZ TYR A 69 87.114 -1.673 -7.914 1.00 0.00 C ATOM 1030 OH TYR A 69 86.473 -0.713 -7.157 1.00 0.00 O ATOM 0 HA TYR A 69 89.762 -5.418 -8.333 1.00 0.00 H new ATOM 0 HB2 TYR A 69 89.939 -4.225 -10.852 1.00 0.00 H new ATOM 0 HB3 TYR A 69 88.434 -5.111 -11.007 1.00 0.00 H new ATOM 0 HD1 TYR A 69 90.204 -2.469 -9.099 1.00 0.00 H new ATOM 0 HD2 TYR A 69 86.480 -4.545 -9.625 1.00 0.00 H new ATOM 0 HE1 TYR A 69 89.051 -0.746 -7.738 1.00 0.00 H new ATOM 0 HE2 TYR A 69 85.326 -2.822 -8.264 1.00 0.00 H new ATOM 0 HH TYR A 69 85.679 -0.395 -7.636 1.00 0.00 H new ATOM 1040 N THR A 70 88.593 -7.640 -10.460 1.00 0.00 N ATOM 1041 CA THR A 70 87.700 -8.824 -10.517 1.00 0.00 C ATOM 1042 C THR A 70 88.325 -10.008 -9.770 1.00 0.00 C ATOM 1043 O THR A 70 87.740 -11.068 -9.670 1.00 0.00 O ATOM 1044 CB THR A 70 87.562 -9.142 -12.007 1.00 0.00 C ATOM 1045 OG1 THR A 70 88.854 -9.301 -12.577 1.00 0.00 O ATOM 1046 CG2 THR A 70 86.829 -7.998 -12.710 1.00 0.00 C ATOM 0 H THR A 70 89.058 -7.406 -11.337 1.00 0.00 H new ATOM 0 HA THR A 70 86.736 -8.633 -10.047 1.00 0.00 H new ATOM 0 HB THR A 70 86.994 -10.064 -12.131 1.00 0.00 H new ATOM 0 HG1 THR A 70 88.768 -9.507 -13.531 1.00 0.00 H new ATOM 0 HG21 THR A 70 86.732 -8.226 -13.771 1.00 0.00 H new ATOM 0 HG22 THR A 70 85.838 -7.877 -12.272 1.00 0.00 H new ATOM 0 HG23 THR A 70 87.394 -7.074 -12.588 1.00 0.00 H new ATOM 1054 N ASN A 71 89.509 -9.838 -9.246 1.00 0.00 N ATOM 1055 CA ASN A 71 90.165 -10.958 -8.510 1.00 0.00 C ATOM 1056 C ASN A 71 89.217 -11.523 -7.448 1.00 0.00 C ATOM 1057 O ASN A 71 88.400 -10.816 -6.892 1.00 0.00 O ATOM 1058 CB ASN A 71 91.398 -10.335 -7.853 1.00 0.00 C ATOM 1059 CG ASN A 71 92.021 -11.341 -6.882 1.00 0.00 C ATOM 1060 OD1 ASN A 71 92.209 -10.999 -5.638 1.00 0.00 O flip ATOM 1061 ND2 ASN A 71 92.341 -12.450 -7.262 1.00 0.00 N flip ATOM 0 H ASN A 71 90.050 -8.974 -9.295 1.00 0.00 H new ATOM 0 HA ASN A 71 90.430 -11.784 -9.170 1.00 0.00 H new ATOM 0 HB2 ASN A 71 92.124 -10.050 -8.614 1.00 0.00 H new ATOM 0 HB3 ASN A 71 91.120 -9.425 -7.322 1.00 0.00 H new ATOM 0 HD21 ASN A 71 92.194 -12.718 -8.235 1.00 0.00 H new ATOM 0 HD22 ASN A 71 92.757 -13.113 -6.608 1.00 0.00 H new ATOM 1068 N ASN A 72 89.319 -12.793 -7.165 1.00 0.00 N ATOM 1069 CA ASN A 72 88.422 -13.405 -6.141 1.00 0.00 C ATOM 1070 C ASN A 72 88.790 -12.903 -4.741 1.00 0.00 C ATOM 1071 O ASN A 72 87.946 -12.773 -3.877 1.00 0.00 O ATOM 1072 CB ASN A 72 88.664 -14.910 -6.253 1.00 0.00 C ATOM 1073 CG ASN A 72 87.490 -15.665 -5.629 1.00 0.00 C ATOM 1074 OD1 ASN A 72 86.707 -16.278 -6.326 1.00 0.00 O ATOM 1075 ND2 ASN A 72 87.332 -15.644 -4.333 1.00 0.00 N ATOM 0 H ASN A 72 89.984 -13.434 -7.598 1.00 0.00 H new ATOM 0 HA ASN A 72 87.376 -13.146 -6.303 1.00 0.00 H new ATOM 0 HB2 ASN A 72 88.777 -15.194 -7.299 1.00 0.00 H new ATOM 0 HB3 ASN A 72 89.592 -15.178 -5.748 1.00 0.00 H new ATOM 0 HD21 ASN A 72 86.551 -16.142 -3.906 1.00 0.00 H new ATOM 0 HD22 ASN A 72 87.990 -15.129 -3.747 1.00 0.00 H new ATOM 1082 N TYR A 73 90.043 -12.623 -4.511 1.00 0.00 N ATOM 1083 CA TYR A 73 90.463 -12.132 -3.166 1.00 0.00 C ATOM 1084 C TYR A 73 90.200 -13.205 -2.106 1.00 0.00 C ATOM 1085 O TYR A 73 89.082 -13.637 -1.909 1.00 0.00 O ATOM 1086 CB TYR A 73 89.600 -10.897 -2.904 1.00 0.00 C ATOM 1087 CG TYR A 73 90.299 -9.980 -1.921 1.00 0.00 C ATOM 1088 CD1 TYR A 73 91.355 -10.461 -1.132 1.00 0.00 C ATOM 1089 CD2 TYR A 73 89.887 -8.647 -1.796 1.00 0.00 C ATOM 1090 CE1 TYR A 73 91.997 -9.611 -0.225 1.00 0.00 C ATOM 1091 CE2 TYR A 73 90.531 -7.796 -0.887 1.00 0.00 C ATOM 1092 CZ TYR A 73 91.585 -8.279 -0.102 1.00 0.00 C ATOM 1093 OH TYR A 73 92.217 -7.441 0.794 1.00 0.00 O ATOM 0 H TYR A 73 90.795 -12.712 -5.195 1.00 0.00 H new ATOM 0 HA TYR A 73 91.527 -11.900 -3.127 1.00 0.00 H new ATOM 0 HB2 TYR A 73 89.413 -10.368 -3.839 1.00 0.00 H new ATOM 0 HB3 TYR A 73 88.630 -11.198 -2.508 1.00 0.00 H new ATOM 0 HD1 TYR A 73 91.673 -11.489 -1.225 1.00 0.00 H new ATOM 0 HD2 TYR A 73 89.073 -8.275 -2.400 1.00 0.00 H new ATOM 0 HE1 TYR A 73 92.811 -9.983 0.380 1.00 0.00 H new ATOM 0 HE2 TYR A 73 90.214 -6.768 -0.792 1.00 0.00 H new ATOM 0 HH TYR A 73 91.552 -6.872 1.234 1.00 0.00 H new ATOM 1103 N SER A 74 91.223 -13.638 -1.421 1.00 0.00 N ATOM 1104 CA SER A 74 91.033 -14.681 -0.375 1.00 0.00 C ATOM 1105 C SER A 74 91.721 -14.257 0.924 1.00 0.00 C ATOM 1106 O SER A 74 92.932 -14.231 1.016 1.00 0.00 O ATOM 1107 CB SER A 74 91.692 -15.937 -0.942 1.00 0.00 C ATOM 1108 OG SER A 74 91.518 -15.961 -2.352 1.00 0.00 O ATOM 0 H SER A 74 92.183 -13.314 -1.541 1.00 0.00 H new ATOM 0 HA SER A 74 89.981 -14.843 -0.141 1.00 0.00 H new ATOM 0 HB2 SER A 74 92.753 -15.948 -0.694 1.00 0.00 H new ATOM 0 HB3 SER A 74 91.251 -16.827 -0.494 1.00 0.00 H new ATOM 0 HG SER A 74 91.941 -16.765 -2.720 1.00 0.00 H new ATOM 1114 N TYR A 75 90.959 -13.925 1.930 1.00 0.00 N ATOM 1115 CA TYR A 75 91.574 -13.503 3.219 1.00 0.00 C ATOM 1116 C TYR A 75 90.555 -13.624 4.358 1.00 0.00 C ATOM 1117 O TYR A 75 89.397 -13.917 4.141 1.00 0.00 O ATOM 1118 CB TYR A 75 91.993 -12.042 3.002 1.00 0.00 C ATOM 1119 CG TYR A 75 90.807 -11.113 3.251 1.00 0.00 C ATOM 1120 CD1 TYR A 75 90.484 -10.729 4.559 1.00 0.00 C ATOM 1121 CD2 TYR A 75 90.041 -10.646 2.176 1.00 0.00 C ATOM 1122 CE1 TYR A 75 89.396 -9.880 4.791 1.00 0.00 C ATOM 1123 CE2 TYR A 75 88.953 -9.796 2.408 1.00 0.00 C ATOM 1124 CZ TYR A 75 88.630 -9.413 3.716 1.00 0.00 C ATOM 1125 OH TYR A 75 87.558 -8.576 3.946 1.00 0.00 O ATOM 0 H TYR A 75 89.939 -13.928 1.915 1.00 0.00 H new ATOM 0 HA TYR A 75 92.424 -14.126 3.498 1.00 0.00 H new ATOM 0 HB2 TYR A 75 92.812 -11.787 3.674 1.00 0.00 H new ATOM 0 HB3 TYR A 75 92.362 -11.909 1.985 1.00 0.00 H new ATOM 0 HD1 TYR A 75 91.075 -11.088 5.389 1.00 0.00 H new ATOM 0 HD2 TYR A 75 90.290 -10.942 1.167 1.00 0.00 H new ATOM 0 HE1 TYR A 75 89.147 -9.585 5.800 1.00 0.00 H new ATOM 0 HE2 TYR A 75 88.363 -9.436 1.578 1.00 0.00 H new ATOM 0 HH TYR A 75 87.645 -7.773 3.392 1.00 0.00 H new ATOM 1135 N SER A 76 90.978 -13.392 5.568 1.00 0.00 N ATOM 1136 CA SER A 76 90.034 -13.483 6.717 1.00 0.00 C ATOM 1137 C SER A 76 90.401 -12.441 7.775 1.00 0.00 C ATOM 1138 O SER A 76 91.307 -11.653 7.591 1.00 0.00 O ATOM 1139 CB SER A 76 90.209 -14.898 7.267 1.00 0.00 C ATOM 1140 OG SER A 76 88.930 -15.440 7.572 1.00 0.00 O ATOM 0 H SER A 76 91.937 -13.143 5.812 1.00 0.00 H new ATOM 0 HA SER A 76 89.002 -13.291 6.424 1.00 0.00 H new ATOM 0 HB2 SER A 76 90.719 -15.525 6.536 1.00 0.00 H new ATOM 0 HB3 SER A 76 90.833 -14.880 8.161 1.00 0.00 H new ATOM 0 HG SER A 76 89.035 -16.349 7.924 1.00 0.00 H new ATOM 1146 N CYS A 77 89.709 -12.424 8.881 1.00 0.00 N ATOM 1147 CA CYS A 77 90.034 -11.426 9.939 1.00 0.00 C ATOM 1148 C CYS A 77 89.981 -12.073 11.317 1.00 0.00 C ATOM 1149 O CYS A 77 89.450 -13.151 11.498 1.00 0.00 O ATOM 1150 CB CYS A 77 88.963 -10.345 9.820 1.00 0.00 C ATOM 1151 SG CYS A 77 89.127 -9.152 11.171 1.00 0.00 S ATOM 0 H CYS A 77 88.937 -13.054 9.097 1.00 0.00 H new ATOM 0 HA CYS A 77 91.038 -11.020 9.816 1.00 0.00 H new ATOM 0 HB2 CYS A 77 89.056 -9.835 8.861 1.00 0.00 H new ATOM 0 HB3 CYS A 77 87.973 -10.800 9.845 1.00 0.00 H new ATOM 1156 N SER A 78 90.530 -11.408 12.286 1.00 0.00 N ATOM 1157 CA SER A 78 90.535 -11.945 13.682 1.00 0.00 C ATOM 1158 C SER A 78 91.553 -11.180 14.532 1.00 0.00 C ATOM 1159 O SER A 78 92.550 -10.694 14.037 1.00 0.00 O ATOM 1160 CB SER A 78 90.946 -13.414 13.558 1.00 0.00 C ATOM 1161 OG SER A 78 89.814 -14.240 13.798 1.00 0.00 O ATOM 0 H SER A 78 90.984 -10.501 12.176 1.00 0.00 H new ATOM 0 HA SER A 78 89.562 -11.839 14.162 1.00 0.00 H new ATOM 0 HB2 SER A 78 91.348 -13.608 12.564 1.00 0.00 H new ATOM 0 HB3 SER A 78 91.737 -13.644 14.272 1.00 0.00 H new ATOM 0 HG SER A 78 89.198 -14.180 13.038 1.00 0.00 H new ATOM 1167 N ASN A 79 91.311 -11.073 15.809 1.00 0.00 N ATOM 1168 CA ASN A 79 92.266 -10.342 16.691 1.00 0.00 C ATOM 1169 C ASN A 79 92.645 -8.997 16.067 1.00 0.00 C ATOM 1170 O ASN A 79 93.805 -8.651 15.965 1.00 0.00 O ATOM 1171 CB ASN A 79 93.489 -11.253 16.790 1.00 0.00 C ATOM 1172 CG ASN A 79 93.500 -11.949 18.152 1.00 0.00 C ATOM 1173 OD1 ASN A 79 93.824 -11.344 19.154 1.00 0.00 O ATOM 1174 ND2 ASN A 79 93.159 -13.206 18.232 1.00 0.00 N ATOM 0 H ASN A 79 90.494 -11.460 16.281 1.00 0.00 H new ATOM 0 HA ASN A 79 91.839 -10.125 17.670 1.00 0.00 H new ATOM 0 HB2 ASN A 79 93.469 -11.994 15.991 1.00 0.00 H new ATOM 0 HB3 ASN A 79 94.401 -10.670 16.661 1.00 0.00 H new ATOM 0 HD21 ASN A 79 93.165 -13.679 19.135 1.00 0.00 H new ATOM 0 HD22 ASN A 79 92.887 -13.715 17.391 1.00 0.00 H new ATOM 1181 N ASN A 80 91.674 -8.236 15.653 1.00 0.00 N ATOM 1182 CA ASN A 80 91.959 -6.918 15.043 1.00 0.00 C ATOM 1183 C ASN A 80 93.112 -7.045 14.060 1.00 0.00 C ATOM 1184 O ASN A 80 93.974 -6.193 13.964 1.00 0.00 O ATOM 1185 CB ASN A 80 92.318 -6.007 16.210 1.00 0.00 C ATOM 1186 CG ASN A 80 91.367 -6.239 17.357 1.00 0.00 C ATOM 1187 OD1 ASN A 80 91.768 -6.278 18.503 1.00 0.00 O ATOM 1188 ND2 ASN A 80 90.120 -6.395 17.103 1.00 0.00 N ATOM 0 H ASN A 80 90.685 -8.477 15.714 1.00 0.00 H new ATOM 0 HA ASN A 80 91.113 -6.521 14.482 1.00 0.00 H new ATOM 0 HB2 ASN A 80 93.342 -6.200 16.531 1.00 0.00 H new ATOM 0 HB3 ASN A 80 92.274 -4.964 15.895 1.00 0.00 H new ATOM 0 HD21 ASN A 80 89.460 -6.553 17.865 1.00 0.00 H new ATOM 0 HD22 ASN A 80 89.788 -6.361 16.139 1.00 0.00 H new ATOM 1195 N GLU A 81 93.121 -8.113 13.323 1.00 0.00 N ATOM 1196 CA GLU A 81 94.196 -8.330 12.326 1.00 0.00 C ATOM 1197 C GLU A 81 93.646 -9.005 11.073 1.00 0.00 C ATOM 1198 O GLU A 81 92.659 -9.712 11.111 1.00 0.00 O ATOM 1199 CB GLU A 81 95.212 -9.232 13.013 1.00 0.00 C ATOM 1200 CG GLU A 81 95.973 -8.417 14.049 1.00 0.00 C ATOM 1201 CD GLU A 81 97.476 -8.647 13.879 1.00 0.00 C ATOM 1202 OE1 GLU A 81 97.942 -9.703 14.272 1.00 0.00 O ATOM 1203 OE2 GLU A 81 98.135 -7.761 13.360 1.00 0.00 O ATOM 0 H GLU A 81 92.421 -8.854 13.369 1.00 0.00 H new ATOM 0 HA GLU A 81 94.640 -7.388 12.005 1.00 0.00 H new ATOM 0 HB2 GLU A 81 94.708 -10.072 13.490 1.00 0.00 H new ATOM 0 HB3 GLU A 81 95.902 -9.649 12.280 1.00 0.00 H new ATOM 0 HG2 GLU A 81 95.742 -7.358 13.935 1.00 0.00 H new ATOM 0 HG3 GLU A 81 95.662 -8.705 15.053 1.00 0.00 H new ATOM 1210 N ILE A 82 94.288 -8.791 9.963 1.00 0.00 N ATOM 1211 CA ILE A 82 93.818 -9.415 8.693 1.00 0.00 C ATOM 1212 C ILE A 82 94.467 -10.790 8.510 1.00 0.00 C ATOM 1213 O ILE A 82 95.592 -11.016 8.910 1.00 0.00 O ATOM 1214 CB ILE A 82 94.260 -8.450 7.590 1.00 0.00 C ATOM 1215 CG1 ILE A 82 93.295 -7.263 7.538 1.00 0.00 C ATOM 1216 CG2 ILE A 82 94.248 -9.170 6.239 1.00 0.00 C ATOM 1217 CD1 ILE A 82 93.937 -6.048 8.211 1.00 0.00 C ATOM 0 H ILE A 82 95.121 -8.209 9.877 1.00 0.00 H new ATOM 0 HA ILE A 82 92.740 -9.574 8.681 1.00 0.00 H new ATOM 0 HB ILE A 82 95.269 -8.096 7.803 1.00 0.00 H new ATOM 0 HG12 ILE A 82 93.047 -7.029 6.503 1.00 0.00 H new ATOM 0 HG13 ILE A 82 92.362 -7.518 8.040 1.00 0.00 H new ATOM 0 HG21 ILE A 82 94.563 -8.480 5.456 1.00 0.00 H new ATOM 0 HG22 ILE A 82 94.932 -10.018 6.272 1.00 0.00 H new ATOM 0 HG23 ILE A 82 93.240 -9.525 6.025 1.00 0.00 H new ATOM 0 HD11 ILE A 82 93.248 -5.204 8.173 1.00 0.00 H new ATOM 0 HD12 ILE A 82 94.163 -6.285 9.251 1.00 0.00 H new ATOM 0 HD13 ILE A 82 94.858 -5.788 7.690 1.00 0.00 H new ATOM 1229 N THR A 83 93.764 -11.711 7.912 1.00 0.00 N ATOM 1230 CA THR A 83 94.336 -13.073 7.709 1.00 0.00 C ATOM 1231 C THR A 83 94.386 -13.407 6.214 1.00 0.00 C ATOM 1232 O THR A 83 93.454 -13.954 5.659 1.00 0.00 O ATOM 1233 CB THR A 83 93.375 -14.009 8.457 1.00 0.00 C ATOM 1234 OG1 THR A 83 93.766 -14.086 9.820 1.00 0.00 O ATOM 1235 CG2 THR A 83 93.405 -15.410 7.839 1.00 0.00 C ATOM 0 H THR A 83 92.818 -11.580 7.555 1.00 0.00 H new ATOM 0 HA THR A 83 95.358 -13.163 8.078 1.00 0.00 H new ATOM 0 HB THR A 83 92.362 -13.613 8.381 1.00 0.00 H new ATOM 0 HG1 THR A 83 93.155 -14.681 10.303 1.00 0.00 H new ATOM 0 HG21 THR A 83 92.719 -16.061 8.380 1.00 0.00 H new ATOM 0 HG22 THR A 83 93.102 -15.353 6.793 1.00 0.00 H new ATOM 0 HG23 THR A 83 94.415 -15.814 7.903 1.00 0.00 H new ATOM 1243 N CYS A 84 95.473 -13.092 5.561 1.00 0.00 N ATOM 1244 CA CYS A 84 95.582 -13.402 4.107 1.00 0.00 C ATOM 1245 C CYS A 84 96.147 -14.811 3.916 1.00 0.00 C ATOM 1246 O CYS A 84 97.233 -15.121 4.366 1.00 0.00 O ATOM 1247 CB CYS A 84 96.546 -12.357 3.543 1.00 0.00 C ATOM 1248 SG CYS A 84 95.688 -10.775 3.352 1.00 0.00 S ATOM 0 H CYS A 84 96.288 -12.635 5.971 1.00 0.00 H new ATOM 0 HA CYS A 84 94.615 -13.371 3.604 1.00 0.00 H new ATOM 0 HB2 CYS A 84 97.401 -12.240 4.209 1.00 0.00 H new ATOM 0 HB3 CYS A 84 96.935 -12.689 2.580 1.00 0.00 H new ATOM 1253 N SER A 85 95.420 -15.668 3.255 1.00 0.00 N ATOM 1254 CA SER A 85 95.914 -17.057 3.040 1.00 0.00 C ATOM 1255 C SER A 85 97.313 -17.033 2.414 1.00 0.00 C ATOM 1256 O SER A 85 97.574 -16.298 1.482 1.00 0.00 O ATOM 1257 CB SER A 85 94.907 -17.691 2.082 1.00 0.00 C ATOM 1258 OG SER A 85 95.575 -18.635 1.256 1.00 0.00 O ATOM 0 H SER A 85 94.504 -15.466 2.854 1.00 0.00 H new ATOM 0 HA SER A 85 95.996 -17.615 3.973 1.00 0.00 H new ATOM 0 HB2 SER A 85 94.112 -18.181 2.644 1.00 0.00 H new ATOM 0 HB3 SER A 85 94.437 -16.922 1.469 1.00 0.00 H new ATOM 0 HG SER A 85 95.045 -19.458 1.205 1.00 0.00 H new ATOM 1264 N SER A 86 98.212 -17.833 2.918 1.00 0.00 N ATOM 1265 CA SER A 86 99.592 -17.857 2.352 1.00 0.00 C ATOM 1266 C SER A 86 99.553 -18.300 0.889 1.00 0.00 C ATOM 1267 O SER A 86 100.421 -17.971 0.106 1.00 0.00 O ATOM 1268 CB SER A 86 100.349 -18.877 3.200 1.00 0.00 C ATOM 1269 OG SER A 86 99.852 -20.180 2.921 1.00 0.00 O ATOM 0 H SER A 86 98.051 -18.471 3.697 1.00 0.00 H new ATOM 0 HA SER A 86 100.066 -16.876 2.375 1.00 0.00 H new ATOM 0 HB2 SER A 86 101.416 -18.828 2.983 1.00 0.00 H new ATOM 0 HB3 SER A 86 100.229 -18.648 4.259 1.00 0.00 H new ATOM 0 HG SER A 86 100.337 -20.838 3.462 1.00 0.00 H new ATOM 1275 N GLU A 87 98.549 -19.043 0.515 1.00 0.00 N ATOM 1276 CA GLU A 87 98.450 -19.507 -0.897 1.00 0.00 C ATOM 1277 C GLU A 87 98.460 -18.309 -1.845 1.00 0.00 C ATOM 1278 O GLU A 87 98.789 -18.427 -3.010 1.00 0.00 O ATOM 1279 CB GLU A 87 97.112 -20.240 -0.975 1.00 0.00 C ATOM 1280 CG GLU A 87 97.316 -21.716 -0.624 1.00 0.00 C ATOM 1281 CD GLU A 87 96.151 -22.201 0.239 1.00 0.00 C ATOM 1282 OE1 GLU A 87 95.177 -21.474 0.348 1.00 0.00 O ATOM 1283 OE2 GLU A 87 96.251 -23.292 0.778 1.00 0.00 O ATOM 0 H GLU A 87 97.792 -19.349 1.126 1.00 0.00 H new ATOM 0 HA GLU A 87 99.284 -20.147 -1.184 1.00 0.00 H new ATOM 0 HB2 GLU A 87 96.397 -19.787 -0.288 1.00 0.00 H new ATOM 0 HB3 GLU A 87 96.693 -20.148 -1.977 1.00 0.00 H new ATOM 0 HG2 GLU A 87 97.381 -22.312 -1.535 1.00 0.00 H new ATOM 0 HG3 GLU A 87 98.257 -21.847 -0.090 1.00 0.00 H new ATOM 1290 N ASN A 88 98.098 -17.156 -1.357 1.00 0.00 N ATOM 1291 CA ASN A 88 98.082 -15.950 -2.226 1.00 0.00 C ATOM 1292 C ASN A 88 99.432 -15.788 -2.931 1.00 0.00 C ATOM 1293 O ASN A 88 100.406 -15.372 -2.336 1.00 0.00 O ATOM 1294 CB ASN A 88 97.828 -14.776 -1.280 1.00 0.00 C ATOM 1295 CG ASN A 88 96.448 -14.926 -0.636 1.00 0.00 C ATOM 1296 OD1 ASN A 88 96.000 -16.026 -0.380 1.00 0.00 O ATOM 1297 ND2 ASN A 88 95.750 -13.856 -0.363 1.00 0.00 N ATOM 0 H ASN A 88 97.812 -16.998 -0.391 1.00 0.00 H new ATOM 0 HA ASN A 88 97.322 -16.015 -3.004 1.00 0.00 H new ATOM 0 HB2 ASN A 88 98.598 -14.743 -0.510 1.00 0.00 H new ATOM 0 HB3 ASN A 88 97.885 -13.835 -1.828 1.00 0.00 H new ATOM 0 HD21 ASN A 88 94.828 -13.944 0.065 1.00 0.00 H new ATOM 0 HD22 ASN A 88 96.127 -12.933 -0.578 1.00 0.00 H new ATOM 1304 N ASN A 89 99.498 -16.112 -4.193 1.00 0.00 N ATOM 1305 CA ASN A 89 100.787 -15.972 -4.931 1.00 0.00 C ATOM 1306 C ASN A 89 101.286 -14.528 -4.850 1.00 0.00 C ATOM 1307 O ASN A 89 100.743 -13.712 -4.131 1.00 0.00 O ATOM 1308 CB ASN A 89 100.461 -16.343 -6.378 1.00 0.00 C ATOM 1309 CG ASN A 89 99.347 -15.433 -6.899 1.00 0.00 C ATOM 1310 OD1 ASN A 89 98.788 -14.653 -6.156 1.00 0.00 O ATOM 1311 ND2 ASN A 89 99.001 -15.500 -8.156 1.00 0.00 N ATOM 0 H ASN A 89 98.717 -16.467 -4.745 1.00 0.00 H new ATOM 0 HA ASN A 89 101.570 -16.606 -4.515 1.00 0.00 H new ATOM 0 HB2 ASN A 89 101.350 -16.240 -7.000 1.00 0.00 H new ATOM 0 HB3 ASN A 89 100.150 -17.386 -6.436 1.00 0.00 H new ATOM 0 HD21 ASN A 89 98.261 -14.897 -8.514 1.00 0.00 H new ATOM 0 HD22 ASN A 89 99.471 -16.156 -8.780 1.00 0.00 H new ATOM 1318 N ALA A 90 102.317 -14.206 -5.580 1.00 0.00 N ATOM 1319 CA ALA A 90 102.850 -12.816 -5.545 1.00 0.00 C ATOM 1320 C ALA A 90 101.717 -11.808 -5.747 1.00 0.00 C ATOM 1321 O ALA A 90 101.570 -10.864 -4.996 1.00 0.00 O ATOM 1322 CB ALA A 90 103.845 -12.745 -6.705 1.00 0.00 C ATOM 0 H ALA A 90 102.814 -14.846 -6.200 1.00 0.00 H new ATOM 0 HA ALA A 90 103.318 -12.578 -4.590 1.00 0.00 H new ATOM 0 HB1 ALA A 90 104.284 -11.748 -6.748 1.00 0.00 H new ATOM 0 HB2 ALA A 90 104.633 -13.482 -6.554 1.00 0.00 H new ATOM 0 HB3 ALA A 90 103.328 -12.954 -7.641 1.00 0.00 H new ATOM 1328 N CYS A 91 100.915 -11.997 -6.761 1.00 0.00 N ATOM 1329 CA CYS A 91 99.793 -11.046 -7.016 1.00 0.00 C ATOM 1330 C CYS A 91 98.763 -11.108 -5.884 1.00 0.00 C ATOM 1331 O CYS A 91 98.364 -10.097 -5.342 1.00 0.00 O ATOM 1332 CB CYS A 91 99.168 -11.519 -8.328 1.00 0.00 C ATOM 1333 SG CYS A 91 98.282 -10.144 -9.101 1.00 0.00 S ATOM 0 H CYS A 91 100.988 -12.769 -7.424 1.00 0.00 H new ATOM 0 HA CYS A 91 100.138 -10.013 -7.070 1.00 0.00 H new ATOM 0 HB2 CYS A 91 99.942 -11.891 -8.999 1.00 0.00 H new ATOM 0 HB3 CYS A 91 98.484 -12.347 -8.140 1.00 0.00 H new ATOM 1338 N GLU A 92 98.325 -12.284 -5.530 1.00 0.00 N ATOM 1339 CA GLU A 92 97.315 -12.406 -4.440 1.00 0.00 C ATOM 1340 C GLU A 92 97.868 -11.834 -3.134 1.00 0.00 C ATOM 1341 O GLU A 92 97.155 -11.226 -2.361 1.00 0.00 O ATOM 1342 CB GLU A 92 97.059 -13.908 -4.303 1.00 0.00 C ATOM 1343 CG GLU A 92 96.303 -14.411 -5.535 1.00 0.00 C ATOM 1344 CD GLU A 92 94.816 -14.544 -5.203 1.00 0.00 C ATOM 1345 OE1 GLU A 92 94.510 -14.842 -4.060 1.00 0.00 O ATOM 1346 OE2 GLU A 92 94.009 -14.346 -6.095 1.00 0.00 O ATOM 0 H GLU A 92 98.622 -13.166 -5.948 1.00 0.00 H new ATOM 0 HA GLU A 92 96.401 -11.855 -4.663 1.00 0.00 H new ATOM 0 HB2 GLU A 92 98.004 -14.441 -4.200 1.00 0.00 H new ATOM 0 HB3 GLU A 92 96.481 -14.108 -3.401 1.00 0.00 H new ATOM 0 HG2 GLU A 92 96.440 -13.719 -6.366 1.00 0.00 H new ATOM 0 HG3 GLU A 92 96.703 -15.374 -5.852 1.00 0.00 H new ATOM 1353 N ALA A 93 99.133 -12.023 -2.881 1.00 0.00 N ATOM 1354 CA ALA A 93 99.724 -11.488 -1.622 1.00 0.00 C ATOM 1355 C ALA A 93 99.872 -9.967 -1.711 1.00 0.00 C ATOM 1356 O ALA A 93 99.760 -9.265 -0.727 1.00 0.00 O ATOM 1357 CB ALA A 93 101.094 -12.157 -1.508 1.00 0.00 C ATOM 0 H ALA A 93 99.782 -12.523 -3.489 1.00 0.00 H new ATOM 0 HA ALA A 93 99.099 -11.695 -0.753 1.00 0.00 H new ATOM 0 HB1 ALA A 93 101.593 -11.812 -0.602 1.00 0.00 H new ATOM 0 HB2 ALA A 93 100.968 -13.239 -1.464 1.00 0.00 H new ATOM 0 HB3 ALA A 93 101.699 -11.897 -2.377 1.00 0.00 H new ATOM 1363 N PHE A 94 100.122 -9.454 -2.885 1.00 0.00 N ATOM 1364 CA PHE A 94 100.274 -7.979 -3.033 1.00 0.00 C ATOM 1365 C PHE A 94 98.927 -7.289 -2.818 1.00 0.00 C ATOM 1366 O PHE A 94 98.809 -6.365 -2.038 1.00 0.00 O ATOM 1367 CB PHE A 94 100.763 -7.770 -4.467 1.00 0.00 C ATOM 1368 CG PHE A 94 101.404 -6.409 -4.583 1.00 0.00 C ATOM 1369 CD1 PHE A 94 100.615 -5.287 -4.860 1.00 0.00 C ATOM 1370 CD2 PHE A 94 102.785 -6.269 -4.413 1.00 0.00 C ATOM 1371 CE1 PHE A 94 101.208 -4.023 -4.966 1.00 0.00 C ATOM 1372 CE2 PHE A 94 103.379 -5.005 -4.520 1.00 0.00 C ATOM 1373 CZ PHE A 94 102.590 -3.882 -4.796 1.00 0.00 C ATOM 0 H PHE A 94 100.227 -9.991 -3.746 1.00 0.00 H new ATOM 0 HA PHE A 94 100.967 -7.559 -2.304 1.00 0.00 H new ATOM 0 HB2 PHE A 94 101.480 -8.546 -4.736 1.00 0.00 H new ATOM 0 HB3 PHE A 94 99.928 -7.852 -5.163 1.00 0.00 H new ATOM 0 HD1 PHE A 94 99.549 -5.396 -4.992 1.00 0.00 H new ATOM 0 HD2 PHE A 94 103.393 -7.135 -4.199 1.00 0.00 H new ATOM 0 HE1 PHE A 94 100.599 -3.157 -5.179 1.00 0.00 H new ATOM 0 HE2 PHE A 94 104.446 -4.897 -4.390 1.00 0.00 H new ATOM 0 HZ PHE A 94 103.048 -2.907 -4.878 1.00 0.00 H new ATOM 1383 N ILE A 95 97.906 -7.734 -3.500 1.00 0.00 N ATOM 1384 CA ILE A 95 96.566 -7.104 -3.327 1.00 0.00 C ATOM 1385 C ILE A 95 96.117 -7.231 -1.869 1.00 0.00 C ATOM 1386 O ILE A 95 95.518 -6.332 -1.312 1.00 0.00 O ATOM 1387 CB ILE A 95 95.636 -7.887 -4.254 1.00 0.00 C ATOM 1388 CG1 ILE A 95 96.113 -7.729 -5.700 1.00 0.00 C ATOM 1389 CG2 ILE A 95 94.212 -7.344 -4.127 1.00 0.00 C ATOM 1390 CD1 ILE A 95 95.887 -9.037 -6.460 1.00 0.00 C ATOM 0 H ILE A 95 97.942 -8.504 -4.168 1.00 0.00 H new ATOM 0 HA ILE A 95 96.569 -6.041 -3.567 1.00 0.00 H new ATOM 0 HB ILE A 95 95.648 -8.941 -3.977 1.00 0.00 H new ATOM 0 HG12 ILE A 95 95.572 -6.916 -6.185 1.00 0.00 H new ATOM 0 HG13 ILE A 95 97.170 -7.464 -5.718 1.00 0.00 H new ATOM 0 HG21 ILE A 95 93.549 -7.903 -4.788 1.00 0.00 H new ATOM 0 HG22 ILE A 95 93.872 -7.452 -3.097 1.00 0.00 H new ATOM 0 HG23 ILE A 95 94.198 -6.290 -4.405 1.00 0.00 H new ATOM 0 HD11 ILE A 95 96.227 -8.923 -7.489 1.00 0.00 H new ATOM 0 HD12 ILE A 95 96.448 -9.839 -5.979 1.00 0.00 H new ATOM 0 HD13 ILE A 95 94.825 -9.283 -6.454 1.00 0.00 H new ATOM 1402 N CYS A 96 96.409 -8.339 -1.244 1.00 0.00 N ATOM 1403 CA CYS A 96 96.008 -8.518 0.181 1.00 0.00 C ATOM 1404 C CYS A 96 96.743 -7.503 1.059 1.00 0.00 C ATOM 1405 O CYS A 96 96.285 -7.137 2.122 1.00 0.00 O ATOM 1406 CB CYS A 96 96.430 -9.943 0.538 1.00 0.00 C ATOM 1407 SG CYS A 96 95.084 -10.769 1.424 1.00 0.00 S ATOM 0 H CYS A 96 96.907 -9.127 -1.658 1.00 0.00 H new ATOM 0 HA CYS A 96 94.940 -8.363 0.335 1.00 0.00 H new ATOM 0 HB2 CYS A 96 96.678 -10.498 -0.367 1.00 0.00 H new ATOM 0 HB3 CYS A 96 97.328 -9.924 1.156 1.00 0.00 H new ATOM 1412 N ASN A 97 97.881 -7.040 0.615 1.00 0.00 N ATOM 1413 CA ASN A 97 98.647 -6.046 1.418 1.00 0.00 C ATOM 1414 C ASN A 97 98.186 -4.628 1.068 1.00 0.00 C ATOM 1415 O ASN A 97 98.246 -3.726 1.879 1.00 0.00 O ATOM 1416 CB ASN A 97 100.108 -6.252 1.016 1.00 0.00 C ATOM 1417 CG ASN A 97 100.692 -7.423 1.796 1.00 0.00 C ATOM 1418 OD1 ASN A 97 100.020 -8.027 2.608 1.00 0.00 O ATOM 1419 ND2 ASN A 97 101.928 -7.774 1.581 1.00 0.00 N ATOM 0 H ASN A 97 98.313 -7.308 -0.270 1.00 0.00 H new ATOM 0 HA ASN A 97 98.501 -6.175 2.490 1.00 0.00 H new ATOM 0 HB2 ASN A 97 100.178 -6.444 -0.055 1.00 0.00 H new ATOM 0 HB3 ASN A 97 100.682 -5.347 1.215 1.00 0.00 H new ATOM 0 HD21 ASN A 97 102.333 -8.557 2.095 1.00 0.00 H new ATOM 0 HD22 ASN A 97 102.491 -7.266 0.899 1.00 0.00 H new ATOM 1426 N CYS A 98 97.720 -4.429 -0.135 1.00 0.00 N ATOM 1427 CA CYS A 98 97.248 -3.073 -0.537 1.00 0.00 C ATOM 1428 C CYS A 98 96.019 -2.687 0.287 1.00 0.00 C ATOM 1429 O CYS A 98 95.934 -1.600 0.825 1.00 0.00 O ATOM 1430 CB CYS A 98 96.876 -3.203 -2.015 1.00 0.00 C ATOM 1431 SG CYS A 98 98.378 -3.396 -3.009 1.00 0.00 S ATOM 0 H CYS A 98 97.646 -5.146 -0.856 1.00 0.00 H new ATOM 0 HA CYS A 98 98.004 -2.305 -0.374 1.00 0.00 H new ATOM 0 HB2 CYS A 98 96.220 -4.061 -2.160 1.00 0.00 H new ATOM 0 HB3 CYS A 98 96.324 -2.321 -2.340 1.00 0.00 H new ATOM 1436 N ASP A 99 95.065 -3.571 0.390 1.00 0.00 N ATOM 1437 CA ASP A 99 93.840 -3.258 1.179 1.00 0.00 C ATOM 1438 C ASP A 99 94.161 -3.280 2.675 1.00 0.00 C ATOM 1439 O ASP A 99 93.691 -2.455 3.432 1.00 0.00 O ATOM 1440 CB ASP A 99 92.845 -4.362 0.822 1.00 0.00 C ATOM 1441 CG ASP A 99 92.380 -4.182 -0.625 1.00 0.00 C ATOM 1442 OD1 ASP A 99 92.436 -3.064 -1.110 1.00 0.00 O ATOM 1443 OD2 ASP A 99 91.975 -5.165 -1.223 1.00 0.00 O ATOM 0 H ASP A 99 95.081 -4.497 -0.038 1.00 0.00 H new ATOM 0 HA ASP A 99 93.442 -2.268 0.955 1.00 0.00 H new ATOM 0 HB2 ASP A 99 93.310 -5.340 0.947 1.00 0.00 H new ATOM 0 HB3 ASP A 99 91.990 -4.328 1.497 1.00 0.00 H new ATOM 1448 N ARG A 100 94.969 -4.212 3.106 1.00 0.00 N ATOM 1449 CA ARG A 100 95.326 -4.274 4.551 1.00 0.00 C ATOM 1450 C ARG A 100 96.062 -2.996 4.951 1.00 0.00 C ATOM 1451 O ARG A 100 95.687 -2.316 5.886 1.00 0.00 O ATOM 1452 CB ARG A 100 96.245 -5.488 4.681 1.00 0.00 C ATOM 1453 CG ARG A 100 96.278 -5.949 6.140 1.00 0.00 C ATOM 1454 CD ARG A 100 97.642 -6.566 6.450 1.00 0.00 C ATOM 1455 NE ARG A 100 97.548 -7.962 5.967 1.00 0.00 N ATOM 1456 CZ ARG A 100 98.529 -8.797 6.173 1.00 0.00 C ATOM 1457 NH1 ARG A 100 99.718 -8.348 6.470 1.00 0.00 N ATOM 1458 NH2 ARG A 100 98.321 -10.083 6.084 1.00 0.00 N ATOM 0 H ARG A 100 95.395 -4.930 2.521 1.00 0.00 H new ATOM 0 HA ARG A 100 94.452 -4.361 5.197 1.00 0.00 H new ATOM 0 HB2 ARG A 100 95.890 -6.296 4.041 1.00 0.00 H new ATOM 0 HB3 ARG A 100 97.251 -5.234 4.346 1.00 0.00 H new ATOM 0 HG2 ARG A 100 96.090 -5.105 6.803 1.00 0.00 H new ATOM 0 HG3 ARG A 100 95.488 -6.678 6.320 1.00 0.00 H new ATOM 0 HD2 ARG A 100 98.443 -6.027 5.945 1.00 0.00 H new ATOM 0 HD3 ARG A 100 97.858 -6.531 7.518 1.00 0.00 H new ATOM 0 HE ARG A 100 96.713 -8.273 5.471 1.00 0.00 H new ATOM 0 HH11 ARG A 100 99.881 -7.344 6.541 1.00 0.00 H new ATOM 0 HH12 ARG A 100 100.484 -9.002 6.631 1.00 0.00 H new ATOM 0 HH21 ARG A 100 97.392 -10.435 5.853 1.00 0.00 H new ATOM 0 HH22 ARG A 100 99.088 -10.736 6.245 1.00 0.00 H new ATOM 1472 N ASN A 101 97.104 -2.659 4.241 1.00 0.00 N ATOM 1473 CA ASN A 101 97.859 -1.419 4.570 1.00 0.00 C ATOM 1474 C ASN A 101 96.913 -0.216 4.529 1.00 0.00 C ATOM 1475 O ASN A 101 97.105 0.763 5.221 1.00 0.00 O ATOM 1476 CB ASN A 101 98.924 -1.309 3.480 1.00 0.00 C ATOM 1477 CG ASN A 101 100.186 -2.042 3.921 1.00 0.00 C ATOM 1478 OD1 ASN A 101 100.233 -2.611 4.994 1.00 0.00 O ATOM 1479 ND2 ASN A 101 101.221 -2.054 3.130 1.00 0.00 N ATOM 0 H ASN A 101 97.464 -3.189 3.448 1.00 0.00 H new ATOM 0 HA ASN A 101 98.302 -1.445 5.565 1.00 0.00 H new ATOM 0 HB2 ASN A 101 98.551 -1.735 2.549 1.00 0.00 H new ATOM 0 HB3 ASN A 101 99.150 -0.261 3.283 1.00 0.00 H new ATOM 0 HD21 ASN A 101 102.072 -2.541 3.411 1.00 0.00 H new ATOM 0 HD22 ASN A 101 101.180 -1.576 2.230 1.00 0.00 H new ATOM 1486 N ALA A 102 95.887 -0.291 3.725 1.00 0.00 N ATOM 1487 CA ALA A 102 94.920 0.840 3.641 1.00 0.00 C ATOM 1488 C ALA A 102 94.030 0.852 4.885 1.00 0.00 C ATOM 1489 O ALA A 102 93.859 1.867 5.529 1.00 0.00 O ATOM 1490 CB ALA A 102 94.088 0.559 2.389 1.00 0.00 C ATOM 0 H ALA A 102 95.677 -1.087 3.123 1.00 0.00 H new ATOM 0 HA ALA A 102 95.415 1.810 3.588 1.00 0.00 H new ATOM 0 HB1 ALA A 102 93.350 1.350 2.257 1.00 0.00 H new ATOM 0 HB2 ALA A 102 94.742 0.524 1.518 1.00 0.00 H new ATOM 0 HB3 ALA A 102 93.578 -0.398 2.498 1.00 0.00 H new ATOM 1496 N ALA A 103 93.465 -0.275 5.229 1.00 0.00 N ATOM 1497 CA ALA A 103 92.592 -0.331 6.435 1.00 0.00 C ATOM 1498 C ALA A 103 93.403 0.038 7.678 1.00 0.00 C ATOM 1499 O ALA A 103 92.935 0.739 8.554 1.00 0.00 O ATOM 1500 CB ALA A 103 92.120 -1.783 6.516 1.00 0.00 C ATOM 0 H ALA A 103 93.571 -1.157 4.727 1.00 0.00 H new ATOM 0 HA ALA A 103 91.755 0.364 6.377 1.00 0.00 H new ATOM 0 HB1 ALA A 103 91.470 -1.906 7.382 1.00 0.00 H new ATOM 0 HB2 ALA A 103 91.570 -2.038 5.610 1.00 0.00 H new ATOM 0 HB3 ALA A 103 92.983 -2.441 6.614 1.00 0.00 H new ATOM 1506 N ILE A 104 94.619 -0.427 7.758 1.00 0.00 N ATOM 1507 CA ILE A 104 95.466 -0.102 8.941 1.00 0.00 C ATOM 1508 C ILE A 104 95.720 1.405 9.006 1.00 0.00 C ATOM 1509 O ILE A 104 95.836 1.979 10.072 1.00 0.00 O ATOM 1510 CB ILE A 104 96.775 -0.858 8.706 1.00 0.00 C ATOM 1511 CG1 ILE A 104 96.520 -2.363 8.816 1.00 0.00 C ATOM 1512 CG2 ILE A 104 97.806 -0.441 9.756 1.00 0.00 C ATOM 1513 CD1 ILE A 104 97.798 -3.124 8.462 1.00 0.00 C ATOM 0 H ILE A 104 95.063 -1.018 7.055 1.00 0.00 H new ATOM 0 HA ILE A 104 94.994 -0.386 9.882 1.00 0.00 H new ATOM 0 HB ILE A 104 97.155 -0.622 7.712 1.00 0.00 H new ATOM 0 HG12 ILE A 104 96.202 -2.616 9.827 1.00 0.00 H new ATOM 0 HG13 ILE A 104 95.712 -2.656 8.145 1.00 0.00 H new ATOM 0 HG21 ILE A 104 98.737 -0.981 9.586 1.00 0.00 H new ATOM 0 HG22 ILE A 104 97.989 0.631 9.680 1.00 0.00 H new ATOM 0 HG23 ILE A 104 97.427 -0.675 10.751 1.00 0.00 H new ATOM 0 HD11 ILE A 104 97.617 -4.196 8.540 1.00 0.00 H new ATOM 0 HD12 ILE A 104 98.096 -2.880 7.442 1.00 0.00 H new ATOM 0 HD13 ILE A 104 98.594 -2.839 9.151 1.00 0.00 H new ATOM 1525 N CYS A 105 95.804 2.052 7.877 1.00 0.00 N ATOM 1526 CA CYS A 105 96.048 3.523 7.880 1.00 0.00 C ATOM 1527 C CYS A 105 94.867 4.240 8.539 1.00 0.00 C ATOM 1528 O CYS A 105 95.041 5.125 9.352 1.00 0.00 O ATOM 1529 CB CYS A 105 96.168 3.910 6.404 1.00 0.00 C ATOM 1530 SG CYS A 105 97.056 5.482 6.261 1.00 0.00 S ATOM 0 H CYS A 105 95.715 1.628 6.954 1.00 0.00 H new ATOM 0 HA CYS A 105 96.942 3.800 8.439 1.00 0.00 H new ATOM 0 HB2 CYS A 105 96.696 3.131 5.855 1.00 0.00 H new ATOM 0 HB3 CYS A 105 95.177 3.998 5.959 1.00 0.00 H new ATOM 1535 N PHE A 106 93.665 3.855 8.204 1.00 0.00 N ATOM 1536 CA PHE A 106 92.475 4.500 8.818 1.00 0.00 C ATOM 1537 C PHE A 106 92.557 4.384 10.339 1.00 0.00 C ATOM 1538 O PHE A 106 92.254 5.310 11.065 1.00 0.00 O ATOM 1539 CB PHE A 106 91.275 3.706 8.297 1.00 0.00 C ATOM 1540 CG PHE A 106 91.244 3.718 6.783 1.00 0.00 C ATOM 1541 CD1 PHE A 106 92.139 4.517 6.059 1.00 0.00 C ATOM 1542 CD2 PHE A 106 90.311 2.924 6.106 1.00 0.00 C ATOM 1543 CE1 PHE A 106 92.100 4.518 4.659 1.00 0.00 C ATOM 1544 CE2 PHE A 106 90.273 2.925 4.707 1.00 0.00 C ATOM 1545 CZ PHE A 106 91.167 3.722 3.983 1.00 0.00 C ATOM 0 H PHE A 106 93.458 3.119 7.529 1.00 0.00 H new ATOM 0 HA PHE A 106 92.403 5.559 8.569 1.00 0.00 H new ATOM 0 HB2 PHE A 106 91.328 2.678 8.657 1.00 0.00 H new ATOM 0 HB3 PHE A 106 90.352 4.133 8.688 1.00 0.00 H new ATOM 0 HD1 PHE A 106 92.858 5.131 6.580 1.00 0.00 H new ATOM 0 HD2 PHE A 106 89.620 2.310 6.664 1.00 0.00 H new ATOM 0 HE1 PHE A 106 92.790 5.133 4.100 1.00 0.00 H new ATOM 0 HE2 PHE A 106 89.554 2.311 4.186 1.00 0.00 H new ATOM 0 HZ PHE A 106 91.137 3.723 2.903 1.00 0.00 H new ATOM 1555 N SER A 107 92.963 3.243 10.822 1.00 0.00 N ATOM 1556 CA SER A 107 93.065 3.042 12.295 1.00 0.00 C ATOM 1557 C SER A 107 94.367 3.646 12.826 1.00 0.00 C ATOM 1558 O SER A 107 94.589 3.717 14.019 1.00 0.00 O ATOM 1559 CB SER A 107 93.065 1.525 12.484 1.00 0.00 C ATOM 1560 OG SER A 107 94.404 1.070 12.637 1.00 0.00 O ATOM 0 H SER A 107 93.230 2.437 10.257 1.00 0.00 H new ATOM 0 HA SER A 107 92.250 3.524 12.835 1.00 0.00 H new ATOM 0 HB2 SER A 107 92.475 1.256 13.360 1.00 0.00 H new ATOM 0 HB3 SER A 107 92.600 1.040 11.626 1.00 0.00 H new ATOM 0 HG SER A 107 94.920 1.296 11.835 1.00 0.00 H new ATOM 1566 N LYS A 108 95.230 4.082 11.950 1.00 0.00 N ATOM 1567 CA LYS A 108 96.516 4.681 12.407 1.00 0.00 C ATOM 1568 C LYS A 108 96.456 6.207 12.303 1.00 0.00 C ATOM 1569 O LYS A 108 97.327 6.907 12.778 1.00 0.00 O ATOM 1570 CB LYS A 108 97.574 4.116 11.460 1.00 0.00 C ATOM 1571 CG LYS A 108 98.096 2.789 12.014 1.00 0.00 C ATOM 1572 CD LYS A 108 99.597 2.673 11.737 1.00 0.00 C ATOM 1573 CE LYS A 108 99.818 2.328 10.263 1.00 0.00 C ATOM 1574 NZ LYS A 108 100.324 3.586 9.647 1.00 0.00 N ATOM 0 H LYS A 108 95.101 4.050 10.939 1.00 0.00 H new ATOM 0 HA LYS A 108 96.736 4.445 13.448 1.00 0.00 H new ATOM 0 HB2 LYS A 108 97.147 3.966 10.468 1.00 0.00 H new ATOM 0 HB3 LYS A 108 98.395 4.825 11.350 1.00 0.00 H new ATOM 0 HG2 LYS A 108 97.908 2.732 13.086 1.00 0.00 H new ATOM 0 HG3 LYS A 108 97.565 1.956 11.552 1.00 0.00 H new ATOM 0 HD2 LYS A 108 100.096 3.611 11.981 1.00 0.00 H new ATOM 0 HD3 LYS A 108 100.036 1.903 12.372 1.00 0.00 H new ATOM 0 HE2 LYS A 108 100.537 1.516 10.151 1.00 0.00 H new ATOM 0 HE3 LYS A 108 98.892 2.001 9.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 100.643 3.393 8.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 99.562 4.294 9.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 101.121 3.951 10.207 1.00 0.00 H new ATOM 1588 N VAL A 109 95.430 6.729 11.687 1.00 0.00 N ATOM 1589 CA VAL A 109 95.314 8.211 11.557 1.00 0.00 C ATOM 1590 C VAL A 109 93.917 8.668 11.984 1.00 0.00 C ATOM 1591 O VAL A 109 92.997 7.877 12.048 1.00 0.00 O ATOM 1592 CB VAL A 109 95.547 8.497 10.073 1.00 0.00 C ATOM 1593 CG1 VAL A 109 96.806 7.767 9.603 1.00 0.00 C ATOM 1594 CG2 VAL A 109 94.344 8.008 9.264 1.00 0.00 C ATOM 0 H VAL A 109 94.668 6.195 11.269 1.00 0.00 H new ATOM 0 HA VAL A 109 96.027 8.741 12.188 1.00 0.00 H new ATOM 0 HB VAL A 109 95.673 9.570 9.927 1.00 0.00 H new ATOM 0 HG11 VAL A 109 96.971 7.971 8.545 1.00 0.00 H new ATOM 0 HG12 VAL A 109 97.664 8.114 10.178 1.00 0.00 H new ATOM 0 HG13 VAL A 109 96.681 6.694 9.750 1.00 0.00 H new ATOM 0 HG21 VAL A 109 94.510 8.212 8.206 1.00 0.00 H new ATOM 0 HG22 VAL A 109 94.218 6.935 9.412 1.00 0.00 H new ATOM 0 HG23 VAL A 109 93.446 8.528 9.597 1.00 0.00 H new ATOM 1604 N PRO A 110 93.806 9.938 12.262 1.00 0.00 N ATOM 1605 CA PRO A 110 92.509 10.514 12.691 1.00 0.00 C ATOM 1606 C PRO A 110 91.540 10.589 11.507 1.00 0.00 C ATOM 1607 O PRO A 110 91.866 10.204 10.401 1.00 0.00 O ATOM 1608 CB PRO A 110 92.882 11.911 13.182 1.00 0.00 C ATOM 1609 CG PRO A 110 94.151 12.247 12.466 1.00 0.00 C ATOM 1610 CD PRO A 110 94.869 10.948 12.205 1.00 0.00 C ATOM 0 HA PRO A 110 92.007 9.921 13.455 1.00 0.00 H new ATOM 0 HB2 PRO A 110 92.097 12.632 12.954 1.00 0.00 H new ATOM 0 HB3 PRO A 110 93.023 11.925 14.263 1.00 0.00 H new ATOM 0 HG2 PRO A 110 93.940 12.765 11.531 1.00 0.00 H new ATOM 0 HG3 PRO A 110 94.768 12.914 13.068 1.00 0.00 H new ATOM 0 HD2 PRO A 110 95.363 10.953 11.233 1.00 0.00 H new ATOM 0 HD3 PRO A 110 95.639 10.760 12.953 1.00 0.00 H new ATOM 1618 N TYR A 111 90.352 11.079 11.730 1.00 0.00 N ATOM 1619 CA TYR A 111 89.362 11.174 10.618 1.00 0.00 C ATOM 1620 C TYR A 111 88.548 12.465 10.748 1.00 0.00 C ATOM 1621 O TYR A 111 87.414 12.454 11.184 1.00 0.00 O ATOM 1622 CB TYR A 111 88.466 9.944 10.785 1.00 0.00 C ATOM 1623 CG TYR A 111 87.167 10.152 10.039 1.00 0.00 C ATOM 1624 CD1 TYR A 111 87.184 10.480 8.678 1.00 0.00 C ATOM 1625 CD2 TYR A 111 85.946 10.017 10.711 1.00 0.00 C ATOM 1626 CE1 TYR A 111 85.981 10.673 7.989 1.00 0.00 C ATOM 1627 CE2 TYR A 111 84.742 10.210 10.022 1.00 0.00 C ATOM 1628 CZ TYR A 111 84.759 10.537 8.661 1.00 0.00 C ATOM 1629 OH TYR A 111 83.573 10.727 7.981 1.00 0.00 O ATOM 0 H TYR A 111 90.023 11.418 12.634 1.00 0.00 H new ATOM 0 HA TYR A 111 89.835 11.199 9.637 1.00 0.00 H new ATOM 0 HB2 TYR A 111 88.975 9.058 10.407 1.00 0.00 H new ATOM 0 HB3 TYR A 111 88.265 9.770 11.842 1.00 0.00 H new ATOM 0 HD1 TYR A 111 88.126 10.584 8.160 1.00 0.00 H new ATOM 0 HD2 TYR A 111 85.933 9.764 11.761 1.00 0.00 H new ATOM 0 HE1 TYR A 111 85.995 10.927 6.939 1.00 0.00 H new ATOM 0 HE2 TYR A 111 83.800 10.107 10.541 1.00 0.00 H new ATOM 0 HH TYR A 111 83.441 9.996 7.342 1.00 0.00 H new ATOM 1639 N ASN A 112 89.118 13.575 10.371 1.00 0.00 N ATOM 1640 CA ASN A 112 88.379 14.866 10.474 1.00 0.00 C ATOM 1641 C ASN A 112 87.139 14.842 9.576 1.00 0.00 C ATOM 1642 O ASN A 112 87.235 14.800 8.366 1.00 0.00 O ATOM 1643 CB ASN A 112 89.370 15.926 9.994 1.00 0.00 C ATOM 1644 CG ASN A 112 90.476 16.098 11.037 1.00 0.00 C ATOM 1645 OD1 ASN A 112 90.227 16.564 12.131 1.00 0.00 O ATOM 1646 ND2 ASN A 112 91.694 15.739 10.743 1.00 0.00 N ATOM 0 H ASN A 112 90.064 13.645 9.996 1.00 0.00 H new ATOM 0 HA ASN A 112 88.030 15.062 11.488 1.00 0.00 H new ATOM 0 HB2 ASN A 112 89.800 15.630 9.037 1.00 0.00 H new ATOM 0 HB3 ASN A 112 88.856 16.874 9.833 1.00 0.00 H new ATOM 0 HD21 ASN A 112 92.438 15.849 11.432 1.00 0.00 H new ATOM 0 HD22 ASN A 112 91.903 15.348 9.824 1.00 0.00 H new ATOM 1653 N LYS A 113 85.973 14.866 10.163 1.00 0.00 N ATOM 1654 CA LYS A 113 84.724 14.842 9.349 1.00 0.00 C ATOM 1655 C LYS A 113 84.467 16.217 8.726 1.00 0.00 C ATOM 1656 O LYS A 113 83.535 16.402 7.969 1.00 0.00 O ATOM 1657 CB LYS A 113 83.618 14.488 10.342 1.00 0.00 C ATOM 1658 CG LYS A 113 83.921 13.129 10.975 1.00 0.00 C ATOM 1659 CD LYS A 113 83.715 13.209 12.489 1.00 0.00 C ATOM 1660 CE LYS A 113 83.819 11.807 13.091 1.00 0.00 C ATOM 1661 NZ LYS A 113 83.785 12.015 14.566 1.00 0.00 N ATOM 0 H LYS A 113 85.831 14.901 11.173 1.00 0.00 H new ATOM 0 HA LYS A 113 84.780 14.130 8.526 1.00 0.00 H new ATOM 0 HB2 LYS A 113 83.548 15.254 11.114 1.00 0.00 H new ATOM 0 HB3 LYS A 113 82.654 14.458 9.834 1.00 0.00 H new ATOM 0 HG2 LYS A 113 83.270 12.365 10.549 1.00 0.00 H new ATOM 0 HG3 LYS A 113 84.946 12.834 10.753 1.00 0.00 H new ATOM 0 HD2 LYS A 113 84.463 13.864 12.935 1.00 0.00 H new ATOM 0 HD3 LYS A 113 82.739 13.641 12.712 1.00 0.00 H new ATOM 0 HE2 LYS A 113 82.994 11.175 12.763 1.00 0.00 H new ATOM 0 HE3 LYS A 113 84.741 11.313 12.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 83.852 11.096 15.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 84.586 12.614 14.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 82.893 12.480 14.831 1.00 0.00 H new ATOM 1675 N GLU A 114 85.286 17.183 9.039 1.00 0.00 N ATOM 1676 CA GLU A 114 85.089 18.537 8.469 1.00 0.00 C ATOM 1677 C GLU A 114 85.519 18.554 7.005 1.00 0.00 C ATOM 1678 O GLU A 114 84.828 19.068 6.147 1.00 0.00 O ATOM 1679 CB GLU A 114 85.979 19.453 9.307 1.00 0.00 C ATOM 1680 CG GLU A 114 85.221 19.883 10.564 1.00 0.00 C ATOM 1681 CD GLU A 114 84.018 20.740 10.165 1.00 0.00 C ATOM 1682 OE1 GLU A 114 82.961 20.174 9.938 1.00 0.00 O ATOM 1683 OE2 GLU A 114 84.174 21.948 10.093 1.00 0.00 O ATOM 0 H GLU A 114 86.084 17.089 9.667 1.00 0.00 H new ATOM 0 HA GLU A 114 84.046 18.853 8.496 1.00 0.00 H new ATOM 0 HB2 GLU A 114 86.898 18.934 9.582 1.00 0.00 H new ATOM 0 HB3 GLU A 114 86.269 20.328 8.726 1.00 0.00 H new ATOM 0 HG2 GLU A 114 84.888 19.006 11.119 1.00 0.00 H new ATOM 0 HG3 GLU A 114 85.880 20.447 11.224 1.00 0.00 H new ATOM 1690 N HIS A 115 86.653 17.984 6.711 1.00 0.00 N ATOM 1691 CA HIS A 115 87.125 17.952 5.302 1.00 0.00 C ATOM 1692 C HIS A 115 86.279 16.964 4.496 1.00 0.00 C ATOM 1693 O HIS A 115 86.452 16.812 3.303 1.00 0.00 O ATOM 1694 CB HIS A 115 88.574 17.476 5.386 1.00 0.00 C ATOM 1695 CG HIS A 115 89.374 18.446 6.210 1.00 0.00 C ATOM 1696 ND1 HIS A 115 89.535 18.296 7.578 1.00 0.00 N ATOM 1697 CD2 HIS A 115 90.069 19.581 5.872 1.00 0.00 C ATOM 1698 CE1 HIS A 115 90.299 19.316 8.010 1.00 0.00 C ATOM 1699 NE2 HIS A 115 90.653 20.129 7.012 1.00 0.00 N ATOM 0 H HIS A 115 87.273 17.539 7.387 1.00 0.00 H new ATOM 0 HA HIS A 115 87.044 18.921 4.809 1.00 0.00 H new ATOM 0 HB2 HIS A 115 88.616 16.482 5.832 1.00 0.00 H new ATOM 0 HB3 HIS A 115 89.000 17.395 4.386 1.00 0.00 H new ATOM 0 HD2 HIS A 115 90.150 19.987 4.875 1.00 0.00 H new ATOM 0 HE1 HIS A 115 90.591 19.460 9.040 1.00 0.00 H new ATOM 0 HE2 HIS A 115 91.227 20.970 7.071 1.00 0.00 H new ATOM 1707 N LYS A 116 85.362 16.293 5.140 1.00 0.00 N ATOM 1708 CA LYS A 116 84.504 15.321 4.425 1.00 0.00 C ATOM 1709 C LYS A 116 83.661 16.039 3.370 1.00 0.00 C ATOM 1710 O LYS A 116 83.356 17.207 3.495 1.00 0.00 O ATOM 1711 CB LYS A 116 83.620 14.739 5.524 1.00 0.00 C ATOM 1712 CG LYS A 116 82.565 13.838 4.901 1.00 0.00 C ATOM 1713 CD LYS A 116 81.183 14.466 5.084 1.00 0.00 C ATOM 1714 CE LYS A 116 80.228 13.432 5.687 1.00 0.00 C ATOM 1715 NZ LYS A 116 79.114 14.230 6.274 1.00 0.00 N ATOM 0 H LYS A 116 85.174 16.381 6.139 1.00 0.00 H new ATOM 0 HA LYS A 116 85.071 14.555 3.897 1.00 0.00 H new ATOM 0 HB2 LYS A 116 84.226 14.173 6.231 1.00 0.00 H new ATOM 0 HB3 LYS A 116 83.142 15.542 6.085 1.00 0.00 H new ATOM 0 HG2 LYS A 116 82.774 13.696 3.841 1.00 0.00 H new ATOM 0 HG3 LYS A 116 82.593 12.853 5.366 1.00 0.00 H new ATOM 0 HD2 LYS A 116 81.251 15.337 5.735 1.00 0.00 H new ATOM 0 HD3 LYS A 116 80.800 14.814 4.125 1.00 0.00 H new ATOM 0 HE2 LYS A 116 79.861 12.743 4.926 1.00 0.00 H new ATOM 0 HE3 LYS A 116 80.726 12.831 6.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 78.418 13.589 6.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 79.492 14.872 7.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 78.654 14.786 5.526 1.00 0.00 H new ATOM 1729 N ASN A 117 83.284 15.350 2.329 1.00 0.00 N ATOM 1730 CA ASN A 117 82.464 15.998 1.267 1.00 0.00 C ATOM 1731 C ASN A 117 83.025 17.385 0.945 1.00 0.00 C ATOM 1732 O ASN A 117 82.318 18.372 0.962 1.00 0.00 O ATOM 1733 CB ASN A 117 81.060 16.110 1.862 1.00 0.00 C ATOM 1734 CG ASN A 117 80.339 14.768 1.731 1.00 0.00 C ATOM 1735 OD1 ASN A 117 80.714 13.940 0.925 1.00 0.00 O ATOM 1736 ND2 ASN A 117 79.313 14.517 2.497 1.00 0.00 N ATOM 0 H ASN A 117 83.508 14.368 2.168 1.00 0.00 H new ATOM 0 HA ASN A 117 82.465 15.430 0.337 1.00 0.00 H new ATOM 0 HB2 ASN A 117 81.121 16.401 2.911 1.00 0.00 H new ATOM 0 HB3 ASN A 117 80.497 16.889 1.347 1.00 0.00 H new ATOM 0 HD21 ASN A 117 78.825 13.625 2.419 1.00 0.00 H new ATOM 0 HD22 ASN A 117 78.999 15.213 3.173 1.00 0.00 H new ATOM 1743 N LEU A 118 84.294 17.463 0.654 1.00 0.00 N ATOM 1744 CA LEU A 118 84.918 18.751 0.332 1.00 0.00 C ATOM 1745 C LEU A 118 84.615 19.116 -1.123 1.00 0.00 C ATOM 1746 O LEU A 118 84.068 18.330 -1.870 1.00 0.00 O ATOM 1747 CB LEU A 118 86.402 18.463 0.566 1.00 0.00 C ATOM 1748 CG LEU A 118 87.284 19.357 -0.288 1.00 0.00 C ATOM 1749 CD1 LEU A 118 87.327 20.770 0.298 1.00 0.00 C ATOM 1750 CD2 LEU A 118 88.702 18.784 -0.321 1.00 0.00 C ATOM 0 H LEU A 118 84.928 16.664 0.629 1.00 0.00 H new ATOM 0 HA LEU A 118 84.564 19.596 0.922 1.00 0.00 H new ATOM 0 HB2 LEU A 118 86.641 18.613 1.619 1.00 0.00 H new ATOM 0 HB3 LEU A 118 86.611 17.418 0.337 1.00 0.00 H new ATOM 0 HG LEU A 118 86.875 19.401 -1.297 1.00 0.00 H new ATOM 0 HD11 LEU A 118 87.962 21.402 -0.323 1.00 0.00 H new ATOM 0 HD12 LEU A 118 86.319 21.184 0.325 1.00 0.00 H new ATOM 0 HD13 LEU A 118 87.731 20.732 1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 118 89.338 19.423 -0.933 1.00 0.00 H new ATOM 0 HD22 LEU A 118 89.100 18.740 0.693 1.00 0.00 H new ATOM 0 HD23 LEU A 118 88.679 17.781 -0.746 1.00 0.00 H new ATOM 1762 N ASP A 119 84.966 20.297 -1.523 1.00 0.00 N ATOM 1763 CA ASP A 119 84.704 20.725 -2.929 1.00 0.00 C ATOM 1764 C ASP A 119 85.849 20.282 -3.842 1.00 0.00 C ATOM 1765 O ASP A 119 86.989 20.659 -3.652 1.00 0.00 O ATOM 1766 CB ASP A 119 84.626 22.252 -2.871 1.00 0.00 C ATOM 1767 CG ASP A 119 84.185 22.795 -4.232 1.00 0.00 C ATOM 1768 OD1 ASP A 119 83.730 22.005 -5.044 1.00 0.00 O ATOM 1769 OD2 ASP A 119 84.309 23.990 -4.439 1.00 0.00 O ATOM 0 H ASP A 119 85.427 20.994 -0.938 1.00 0.00 H new ATOM 0 HA ASP A 119 83.791 20.284 -3.329 1.00 0.00 H new ATOM 0 HB2 ASP A 119 83.921 22.561 -2.099 1.00 0.00 H new ATOM 0 HB3 ASP A 119 85.597 22.666 -2.600 1.00 0.00 H new ATOM 1774 N LYS A 120 85.556 19.484 -4.831 1.00 0.00 N ATOM 1775 CA LYS A 120 86.625 19.019 -5.755 1.00 0.00 C ATOM 1776 C LYS A 120 87.513 20.194 -6.165 1.00 0.00 C ATOM 1777 O LYS A 120 88.663 20.024 -6.517 1.00 0.00 O ATOM 1778 CB LYS A 120 85.887 18.450 -6.967 1.00 0.00 C ATOM 1779 CG LYS A 120 85.489 16.999 -6.686 1.00 0.00 C ATOM 1780 CD LYS A 120 84.605 16.481 -7.823 1.00 0.00 C ATOM 1781 CE LYS A 120 83.272 15.991 -7.253 1.00 0.00 C ATOM 1782 NZ LYS A 120 83.169 14.570 -7.688 1.00 0.00 N ATOM 0 H LYS A 120 84.621 19.134 -5.039 1.00 0.00 H new ATOM 0 HA LYS A 120 87.275 18.276 -5.294 1.00 0.00 H new ATOM 0 HB2 LYS A 120 85.000 19.047 -7.180 1.00 0.00 H new ATOM 0 HB3 LYS A 120 86.524 18.499 -7.850 1.00 0.00 H new ATOM 0 HG2 LYS A 120 86.380 16.378 -6.593 1.00 0.00 H new ATOM 0 HG3 LYS A 120 84.955 16.935 -5.738 1.00 0.00 H new ATOM 0 HD2 LYS A 120 84.432 17.273 -8.552 1.00 0.00 H new ATOM 0 HD3 LYS A 120 85.108 15.669 -8.348 1.00 0.00 H new ATOM 0 HE2 LYS A 120 83.252 16.074 -6.166 1.00 0.00 H new ATOM 0 HE3 LYS A 120 82.439 16.582 -7.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 82.279 14.163 -7.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 83.184 14.523 -8.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 83.972 14.031 -7.306 1.00 0.00 H new ATOM 1796 N LYS A 121 86.988 21.388 -6.116 1.00 0.00 N ATOM 1797 CA LYS A 121 87.805 22.577 -6.498 1.00 0.00 C ATOM 1798 C LYS A 121 88.983 22.729 -5.546 1.00 0.00 C ATOM 1799 O LYS A 121 89.929 23.444 -5.808 1.00 0.00 O ATOM 1800 CB LYS A 121 86.861 23.763 -6.364 1.00 0.00 C ATOM 1801 CG LYS A 121 86.431 24.217 -7.752 1.00 0.00 C ATOM 1802 CD LYS A 121 86.412 25.747 -7.806 1.00 0.00 C ATOM 1803 CE LYS A 121 85.116 26.264 -7.177 1.00 0.00 C ATOM 1804 NZ LYS A 121 84.400 26.956 -8.285 1.00 0.00 N ATOM 0 H LYS A 121 86.031 21.592 -5.829 1.00 0.00 H new ATOM 0 HA LYS A 121 88.214 22.491 -7.505 1.00 0.00 H new ATOM 0 HB2 LYS A 121 85.989 23.484 -5.773 1.00 0.00 H new ATOM 0 HB3 LYS A 121 87.355 24.580 -5.838 1.00 0.00 H new ATOM 0 HG2 LYS A 121 87.116 23.825 -8.503 1.00 0.00 H new ATOM 0 HG3 LYS A 121 85.442 23.822 -7.985 1.00 0.00 H new ATOM 0 HD2 LYS A 121 87.273 26.151 -7.274 1.00 0.00 H new ATOM 0 HD3 LYS A 121 86.488 26.086 -8.839 1.00 0.00 H new ATOM 0 HE2 LYS A 121 84.520 25.446 -6.772 1.00 0.00 H new ATOM 0 HE3 LYS A 121 85.322 26.947 -6.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 83.500 27.338 -7.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 84.988 27.734 -8.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 84.211 26.280 -9.052 1.00 0.00 H new ATOM 1818 N ASN A 122 88.938 22.029 -4.462 1.00 0.00 N ATOM 1819 CA ASN A 122 90.055 22.077 -3.488 1.00 0.00 C ATOM 1820 C ASN A 122 90.954 20.880 -3.752 1.00 0.00 C ATOM 1821 O ASN A 122 92.039 20.755 -3.221 1.00 0.00 O ATOM 1822 CB ASN A 122 89.390 21.945 -2.126 1.00 0.00 C ATOM 1823 CG ASN A 122 89.065 23.332 -1.572 1.00 0.00 C ATOM 1824 OD1 ASN A 122 89.693 23.789 -0.638 1.00 0.00 O ATOM 1825 ND2 ASN A 122 88.102 24.027 -2.112 1.00 0.00 N ATOM 0 H ASN A 122 88.166 21.415 -4.201 1.00 0.00 H new ATOM 0 HA ASN A 122 90.655 22.985 -3.553 1.00 0.00 H new ATOM 0 HB2 ASN A 122 88.478 21.355 -2.212 1.00 0.00 H new ATOM 0 HB3 ASN A 122 90.049 21.414 -1.439 1.00 0.00 H new ATOM 0 HD21 ASN A 122 87.877 24.954 -1.750 1.00 0.00 H new ATOM 0 HD22 ASN A 122 87.574 23.644 -2.896 1.00 0.00 H new ATOM 1832 N CYS A 123 90.477 19.996 -4.574 1.00 0.00 N ATOM 1833 CA CYS A 123 91.241 18.774 -4.911 1.00 0.00 C ATOM 1834 C CYS A 123 92.040 18.985 -6.201 1.00 0.00 C ATOM 1835 O CYS A 123 93.255 18.901 -6.142 1.00 0.00 O ATOM 1836 CB CYS A 123 90.157 17.718 -5.106 1.00 0.00 C ATOM 1837 SG CYS A 123 89.838 16.883 -3.534 1.00 0.00 S ATOM 1838 OXT CYS A 123 91.421 19.226 -7.224 1.00 0.00 O ATOM 0 H CYS A 123 89.571 20.072 -5.035 1.00 0.00 H new ATOM 0 HA CYS A 123 91.967 18.495 -4.147 1.00 0.00 H new ATOM 0 HB2 CYS A 123 89.243 18.184 -5.475 1.00 0.00 H new ATOM 0 HB3 CYS A 123 90.471 16.994 -5.857 1.00 0.00 H new