USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 885 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 74 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 85 SER OG : rot 90:sc= 0.0164 USER MOD Set 2.1: A 48 HIS : no HD1:sc= -2.48 K(o=-1.8,f=-2.9) USER MOD Set 2.2: A 52 TYR OH : rot 21:sc= 0.711 USER MOD Set 3.1: A 50 ASN : amide:sc= 0.476 K(o=1.2,f=-5.3!) USER MOD Set 3.2: A 53 LYS NZ :NH3+ -117:sc= 0.711 (180deg=-0.0241) USER MOD Set 4.1: A 28 TYR OH : rot 106:sc= 1.21 USER MOD Set 4.2: A 46 GLN : amide:sc= -0.258 K(o=0.96,f=-1!) USER MOD Set 5.1: A 24 ASN : amide:sc= -2.2! C(o=-5.1!,f=-8.6!) USER MOD Set 5.2: A 117 ASN : amide:sc= -2.88! C(o=-5.1!,f=-8.6!) USER MOD Set 6.1: A 8 MET CE :methyl 154:sc= -0.787 (180deg=-1.77) USER MOD Set 6.2: A 73 TYR OH : rot -50:sc= -0.122 USER MOD Single : A 1 ALA N :NH3+ 133:sc= 0.015 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -5.87! C(o=-5.9!,f=-12!) USER MOD Single : A 6 ASN : amide:sc= -3.12 K(o=-3.1,f=-9!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -134:sc= 0.612 (180deg=-3.05!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.0531 X(o=-0.053,f=-0.23) USER MOD Single : A 25 TYR OH : rot 150:sc= -0.209 USER MOD Single : A 34 SER OG : rot 43:sc= 0.263 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 108:sc= 1.04 USER MOD Single : A 54 GLN : amide:sc= -0.0666 X(o=-0.067,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00587) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 101:sc= 0.0487 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -4.6! C(o=-4.6!,f=-7.7!) USER MOD Single : A 72 ASN : amide:sc= -1.2 K(o=-1.2,f=-2) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -0.425 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN :FLIP amide:sc= -0.647 F(o=-2.2!,f=-0.65) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0.0413 USER MOD Single : A 88 ASN : amide:sc= -3.69! C(o=-3.7!,f=-14!) USER MOD Single : A 89 ASN : amide:sc= -1.39! C(o=-1.4!,f=-17!) USER MOD Single : A 97 ASN : amide:sc= -0.332 K(o=-0.33,f=-2.1!) USER MOD Single : A 101 ASN : amide:sc= -0.226 K(o=-0.23,f=-2.4!) USER MOD Single : A 107 SER OG : rot 15:sc= 0.709 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 TYR OH : rot 89:sc= 0.0563 USER MOD Single : A 112 ASN : amide:sc= -0.148 X(o=-0.15,f=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 HIS :FLIP no HD1:sc=-0.00913 F(o=-0.6,f=-0.0091) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 159:sc= -0.0478 (180deg=-0.729) USER MOD Single : A 122 ASN : amide:sc= -0.359 X(o=-0.36,f=-0.028) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 88.141 -6.646 -5.456 1.00 0.00 N ATOM 2 CA ALA A 1 86.856 -7.043 -4.811 1.00 0.00 C ATOM 3 C ALA A 1 86.202 -5.831 -4.139 1.00 0.00 C ATOM 4 O ALA A 1 86.870 -4.986 -3.577 1.00 0.00 O ATOM 5 CB ALA A 1 87.243 -8.092 -3.769 1.00 0.00 C ATOM 0 H1 ALA A 1 88.882 -7.331 -5.204 1.00 0.00 H new ATOM 0 H2 ALA A 1 88.021 -6.630 -6.489 1.00 0.00 H new ATOM 0 H3 ALA A 1 88.418 -5.700 -5.125 1.00 0.00 H new ATOM 0 HA ALA A 1 86.136 -7.431 -5.531 1.00 0.00 H new ATOM 0 HB1 ALA A 1 86.349 -8.435 -3.249 1.00 0.00 H new ATOM 0 HB2 ALA A 1 87.722 -8.937 -4.264 1.00 0.00 H new ATOM 0 HB3 ALA A 1 87.935 -7.653 -3.050 1.00 0.00 H new ATOM 13 N LEU A 2 84.902 -5.742 -4.193 1.00 0.00 N ATOM 14 CA LEU A 2 84.205 -4.586 -3.558 1.00 0.00 C ATOM 15 C LEU A 2 83.465 -5.043 -2.299 1.00 0.00 C ATOM 16 O LEU A 2 82.636 -4.337 -1.761 1.00 0.00 O ATOM 17 CB LEU A 2 83.211 -4.103 -4.612 1.00 0.00 C ATOM 18 CG LEU A 2 83.734 -2.816 -5.251 1.00 0.00 C ATOM 19 CD1 LEU A 2 83.723 -2.962 -6.773 1.00 0.00 C ATOM 20 CD2 LEU A 2 82.835 -1.646 -4.845 1.00 0.00 C ATOM 0 H LEU A 2 84.291 -6.419 -4.649 1.00 0.00 H new ATOM 0 HA LEU A 2 84.897 -3.801 -3.254 1.00 0.00 H new ATOM 0 HB2 LEU A 2 83.071 -4.870 -5.374 1.00 0.00 H new ATOM 0 HB3 LEU A 2 82.237 -3.926 -4.155 1.00 0.00 H new ATOM 0 HG LEU A 2 84.753 -2.628 -4.911 1.00 0.00 H new ATOM 0 HD11 LEU A 2 84.096 -2.045 -7.229 1.00 0.00 H new ATOM 0 HD12 LEU A 2 84.361 -3.797 -7.063 1.00 0.00 H new ATOM 0 HD13 LEU A 2 82.704 -3.149 -7.113 1.00 0.00 H new ATOM 0 HD21 LEU A 2 83.206 -0.727 -5.299 1.00 0.00 H new ATOM 0 HD22 LEU A 2 81.817 -1.834 -5.186 1.00 0.00 H new ATOM 0 HD23 LEU A 2 82.841 -1.542 -3.760 1.00 0.00 H new ATOM 32 N TRP A 3 83.757 -6.222 -1.832 1.00 0.00 N ATOM 33 CA TRP A 3 83.067 -6.736 -0.609 1.00 0.00 C ATOM 34 C TRP A 3 84.102 -7.081 0.464 1.00 0.00 C ATOM 35 O TRP A 3 83.947 -6.749 1.623 1.00 0.00 O ATOM 36 CB TRP A 3 82.302 -8.007 -1.035 1.00 0.00 C ATOM 37 CG TRP A 3 82.273 -8.146 -2.529 1.00 0.00 C ATOM 38 CD1 TRP A 3 83.282 -8.641 -3.280 1.00 0.00 C ATOM 39 CD2 TRP A 3 81.206 -7.796 -3.457 1.00 0.00 C ATOM 40 NE1 TRP A 3 82.904 -8.616 -4.610 1.00 0.00 N ATOM 41 CE2 TRP A 3 81.633 -8.105 -4.770 1.00 0.00 C ATOM 42 CE3 TRP A 3 79.922 -7.246 -3.291 1.00 0.00 C ATOM 43 CZ2 TRP A 3 80.817 -7.878 -5.878 1.00 0.00 C ATOM 44 CZ3 TRP A 3 79.098 -7.016 -4.405 1.00 0.00 C ATOM 45 CH2 TRP A 3 79.546 -7.330 -5.696 1.00 0.00 C ATOM 0 H TRP A 3 84.443 -6.856 -2.241 1.00 0.00 H new ATOM 0 HA TRP A 3 82.388 -5.991 -0.194 1.00 0.00 H new ATOM 0 HB2 TRP A 3 82.775 -8.885 -0.594 1.00 0.00 H new ATOM 0 HB3 TRP A 3 81.283 -7.968 -0.651 1.00 0.00 H new ATOM 0 HD1 TRP A 3 84.229 -8.998 -2.903 1.00 0.00 H new ATOM 0 HE1 TRP A 3 83.493 -8.936 -5.379 1.00 0.00 H new ATOM 0 HE3 TRP A 3 79.568 -6.999 -2.301 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 81.166 -8.124 -6.870 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 78.113 -6.595 -4.266 1.00 0.00 H new ATOM 0 HH2 TRP A 3 78.909 -7.148 -6.549 1.00 0.00 H new ATOM 56 N GLN A 4 85.156 -7.751 0.087 1.00 0.00 N ATOM 57 CA GLN A 4 86.200 -8.123 1.084 1.00 0.00 C ATOM 58 C GLN A 4 86.895 -6.870 1.620 1.00 0.00 C ATOM 59 O GLN A 4 87.235 -6.788 2.784 1.00 0.00 O ATOM 60 CB GLN A 4 87.192 -8.993 0.313 1.00 0.00 C ATOM 61 CG GLN A 4 86.454 -10.179 -0.312 1.00 0.00 C ATOM 62 CD GLN A 4 87.274 -10.732 -1.478 1.00 0.00 C ATOM 63 OE1 GLN A 4 87.946 -9.992 -2.169 1.00 0.00 O ATOM 64 NE2 GLN A 4 87.248 -12.012 -1.727 1.00 0.00 N ATOM 0 H GLN A 4 85.340 -8.057 -0.868 1.00 0.00 H new ATOM 0 HA GLN A 4 85.779 -8.645 1.944 1.00 0.00 H new ATOM 0 HB2 GLN A 4 87.680 -8.405 -0.464 1.00 0.00 H new ATOM 0 HB3 GLN A 4 87.975 -9.350 0.982 1.00 0.00 H new ATOM 0 HG2 GLN A 4 86.294 -10.956 0.435 1.00 0.00 H new ATOM 0 HG3 GLN A 4 85.470 -9.866 -0.661 1.00 0.00 H new ATOM 0 HE21 GLN A 4 86.684 -12.633 -1.147 1.00 0.00 H new ATOM 0 HE22 GLN A 4 87.792 -12.392 -2.502 1.00 0.00 H new ATOM 73 N PHE A 5 87.111 -5.894 0.782 1.00 0.00 N ATOM 74 CA PHE A 5 87.786 -4.651 1.251 1.00 0.00 C ATOM 75 C PHE A 5 87.037 -4.066 2.452 1.00 0.00 C ATOM 76 O PHE A 5 87.588 -3.918 3.524 1.00 0.00 O ATOM 77 CB PHE A 5 87.726 -3.693 0.061 1.00 0.00 C ATOM 78 CG PHE A 5 88.493 -2.436 0.389 1.00 0.00 C ATOM 79 CD1 PHE A 5 89.683 -2.514 1.122 1.00 0.00 C ATOM 80 CD2 PHE A 5 88.014 -1.193 -0.037 1.00 0.00 C ATOM 81 CE1 PHE A 5 90.394 -1.349 1.428 1.00 0.00 C ATOM 82 CE2 PHE A 5 88.724 -0.028 0.270 1.00 0.00 C ATOM 83 CZ PHE A 5 89.914 -0.106 1.003 1.00 0.00 C ATOM 0 H PHE A 5 86.850 -5.903 -0.204 1.00 0.00 H new ATOM 0 HA PHE A 5 88.811 -4.833 1.574 1.00 0.00 H new ATOM 0 HB2 PHE A 5 88.148 -4.169 -0.824 1.00 0.00 H new ATOM 0 HB3 PHE A 5 86.689 -3.449 -0.172 1.00 0.00 H new ATOM 0 HD1 PHE A 5 90.052 -3.474 1.451 1.00 0.00 H new ATOM 0 HD2 PHE A 5 87.096 -1.133 -0.603 1.00 0.00 H new ATOM 0 HE1 PHE A 5 91.313 -1.409 1.992 1.00 0.00 H new ATOM 0 HE2 PHE A 5 88.354 0.932 -0.058 1.00 0.00 H new ATOM 0 HZ PHE A 5 90.462 0.794 1.240 1.00 0.00 H new ATOM 93 N ASN A 6 85.785 -3.739 2.282 1.00 0.00 N ATOM 94 CA ASN A 6 85.005 -3.168 3.418 1.00 0.00 C ATOM 95 C ASN A 6 85.172 -4.046 4.660 1.00 0.00 C ATOM 96 O ASN A 6 85.263 -3.559 5.770 1.00 0.00 O ATOM 97 CB ASN A 6 83.551 -3.177 2.944 1.00 0.00 C ATOM 98 CG ASN A 6 82.960 -1.772 3.083 1.00 0.00 C ATOM 99 OD1 ASN A 6 83.424 -0.982 3.880 1.00 0.00 O ATOM 100 ND2 ASN A 6 81.948 -1.427 2.335 1.00 0.00 N ATOM 0 H ASN A 6 85.269 -3.842 1.408 1.00 0.00 H new ATOM 0 HA ASN A 6 85.337 -2.166 3.689 1.00 0.00 H new ATOM 0 HB2 ASN A 6 83.498 -3.504 1.906 1.00 0.00 H new ATOM 0 HB3 ASN A 6 82.970 -3.887 3.532 1.00 0.00 H new ATOM 0 HD21 ASN A 6 81.546 -0.493 2.420 1.00 0.00 H new ATOM 0 HD22 ASN A 6 81.559 -2.091 1.666 1.00 0.00 H new ATOM 107 N GLY A 7 85.216 -5.338 4.480 1.00 0.00 N ATOM 108 CA GLY A 7 85.381 -6.247 5.649 1.00 0.00 C ATOM 109 C GLY A 7 86.711 -5.949 6.343 1.00 0.00 C ATOM 110 O GLY A 7 86.805 -5.957 7.554 1.00 0.00 O ATOM 0 H GLY A 7 85.145 -5.803 3.575 1.00 0.00 H new ATOM 0 HA2 GLY A 7 84.556 -6.112 6.348 1.00 0.00 H new ATOM 0 HA3 GLY A 7 85.354 -7.286 5.322 1.00 0.00 H new ATOM 114 N MET A 8 87.741 -5.683 5.586 1.00 0.00 N ATOM 115 CA MET A 8 89.062 -5.380 6.205 1.00 0.00 C ATOM 116 C MET A 8 88.950 -4.144 7.099 1.00 0.00 C ATOM 117 O MET A 8 89.518 -4.086 8.171 1.00 0.00 O ATOM 118 CB MET A 8 90.001 -5.110 5.029 1.00 0.00 C ATOM 119 CG MET A 8 90.140 -6.376 4.182 1.00 0.00 C ATOM 120 SD MET A 8 91.841 -6.518 3.580 1.00 0.00 S ATOM 121 CE MET A 8 91.778 -8.271 3.143 1.00 0.00 C ATOM 0 H MET A 8 87.724 -5.663 4.566 1.00 0.00 H new ATOM 0 HA MET A 8 89.423 -6.196 6.832 1.00 0.00 H new ATOM 0 HB2 MET A 8 89.612 -4.294 4.420 1.00 0.00 H new ATOM 0 HB3 MET A 8 90.978 -4.796 5.396 1.00 0.00 H new ATOM 0 HG2 MET A 8 89.879 -7.253 4.774 1.00 0.00 H new ATOM 0 HG3 MET A 8 89.447 -6.341 3.341 1.00 0.00 H new ATOM 0 HE1 MET A 8 92.506 -8.477 2.358 1.00 0.00 H new ATOM 0 HE2 MET A 8 92.011 -8.873 4.021 1.00 0.00 H new ATOM 0 HE3 MET A 8 90.779 -8.521 2.786 1.00 0.00 H new ATOM 131 N ILE A 9 88.216 -3.156 6.666 1.00 0.00 N ATOM 132 CA ILE A 9 88.062 -1.923 7.490 1.00 0.00 C ATOM 133 C ILE A 9 87.294 -2.241 8.776 1.00 0.00 C ATOM 134 O ILE A 9 87.404 -1.544 9.765 1.00 0.00 O ATOM 135 CB ILE A 9 87.261 -0.961 6.613 1.00 0.00 C ATOM 136 CG1 ILE A 9 88.022 -0.709 5.309 1.00 0.00 C ATOM 137 CG2 ILE A 9 87.065 0.364 7.352 1.00 0.00 C ATOM 138 CD1 ILE A 9 87.221 0.250 4.429 1.00 0.00 C ATOM 0 H ILE A 9 87.716 -3.149 5.777 1.00 0.00 H new ATOM 0 HA ILE A 9 89.022 -1.501 7.788 1.00 0.00 H new ATOM 0 HB ILE A 9 86.288 -1.398 6.390 1.00 0.00 H new ATOM 0 HG12 ILE A 9 89.004 -0.288 5.524 1.00 0.00 H new ATOM 0 HG13 ILE A 9 88.187 -1.650 4.784 1.00 0.00 H new ATOM 0 HG21 ILE A 9 86.494 1.049 6.725 1.00 0.00 H new ATOM 0 HG22 ILE A 9 86.524 0.186 8.281 1.00 0.00 H new ATOM 0 HG23 ILE A 9 88.037 0.803 7.576 1.00 0.00 H new ATOM 0 HD11 ILE A 9 87.762 0.430 3.500 1.00 0.00 H new ATOM 0 HD12 ILE A 9 86.249 -0.189 4.203 1.00 0.00 H new ATOM 0 HD13 ILE A 9 87.079 1.194 4.955 1.00 0.00 H new ATOM 150 N LYS A 10 86.515 -3.288 8.768 1.00 0.00 N ATOM 151 CA LYS A 10 85.739 -3.651 9.988 1.00 0.00 C ATOM 152 C LYS A 10 86.645 -4.365 10.997 1.00 0.00 C ATOM 153 O LYS A 10 86.599 -4.099 12.181 1.00 0.00 O ATOM 154 CB LYS A 10 84.640 -4.593 9.492 1.00 0.00 C ATOM 155 CG LYS A 10 83.427 -3.773 9.044 1.00 0.00 C ATOM 156 CD LYS A 10 82.660 -4.538 7.964 1.00 0.00 C ATOM 157 CE LYS A 10 81.956 -5.743 8.592 1.00 0.00 C ATOM 158 NZ LYS A 10 81.433 -6.529 7.439 1.00 0.00 N ATOM 0 H LYS A 10 86.382 -3.908 7.969 1.00 0.00 H new ATOM 0 HA LYS A 10 85.329 -2.777 10.493 1.00 0.00 H new ATOM 0 HB2 LYS A 10 85.010 -5.196 8.663 1.00 0.00 H new ATOM 0 HB3 LYS A 10 84.353 -5.283 10.285 1.00 0.00 H new ATOM 0 HG2 LYS A 10 82.776 -3.574 9.895 1.00 0.00 H new ATOM 0 HG3 LYS A 10 83.751 -2.806 8.658 1.00 0.00 H new ATOM 0 HD2 LYS A 10 81.929 -3.883 7.490 1.00 0.00 H new ATOM 0 HD3 LYS A 10 83.344 -4.870 7.183 1.00 0.00 H new ATOM 0 HE2 LYS A 10 82.647 -6.335 9.192 1.00 0.00 H new ATOM 0 HE3 LYS A 10 81.149 -5.428 9.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 80.937 -7.373 7.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 80.773 -5.942 6.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 82.224 -6.821 6.831 1.00 0.00 H new ATOM 172 N CYS A 11 87.467 -5.267 10.536 1.00 0.00 N ATOM 173 CA CYS A 11 88.368 -5.993 11.466 1.00 0.00 C ATOM 174 C CYS A 11 89.310 -5.007 12.160 1.00 0.00 C ATOM 175 O CYS A 11 89.544 -5.084 13.350 1.00 0.00 O ATOM 176 CB CYS A 11 89.157 -6.956 10.580 1.00 0.00 C ATOM 177 SG CYS A 11 89.945 -8.218 11.611 1.00 0.00 S ATOM 0 H CYS A 11 87.552 -5.531 9.554 1.00 0.00 H new ATOM 0 HA CYS A 11 87.821 -6.517 12.250 1.00 0.00 H new ATOM 0 HB2 CYS A 11 88.493 -7.426 9.855 1.00 0.00 H new ATOM 0 HB3 CYS A 11 89.912 -6.410 10.014 1.00 0.00 H new ATOM 182 N LYS A 12 89.849 -4.080 11.420 1.00 0.00 N ATOM 183 CA LYS A 12 90.777 -3.083 12.027 1.00 0.00 C ATOM 184 C LYS A 12 89.997 -2.102 12.906 1.00 0.00 C ATOM 185 O LYS A 12 90.508 -1.584 13.880 1.00 0.00 O ATOM 186 CB LYS A 12 91.410 -2.359 10.838 1.00 0.00 C ATOM 187 CG LYS A 12 92.419 -3.285 10.156 1.00 0.00 C ATOM 188 CD LYS A 12 93.721 -3.303 10.959 1.00 0.00 C ATOM 189 CE LYS A 12 93.998 -4.726 11.452 1.00 0.00 C ATOM 190 NZ LYS A 12 94.639 -4.557 12.787 1.00 0.00 N ATOM 0 H LYS A 12 89.688 -3.968 10.419 1.00 0.00 H new ATOM 0 HA LYS A 12 91.528 -3.549 12.665 1.00 0.00 H new ATOM 0 HB2 LYS A 12 90.639 -2.059 10.129 1.00 0.00 H new ATOM 0 HB3 LYS A 12 91.906 -1.448 11.175 1.00 0.00 H new ATOM 0 HG2 LYS A 12 92.011 -4.293 10.082 1.00 0.00 H new ATOM 0 HG3 LYS A 12 92.612 -2.944 9.139 1.00 0.00 H new ATOM 0 HD2 LYS A 12 94.547 -2.954 10.340 1.00 0.00 H new ATOM 0 HD3 LYS A 12 93.648 -2.621 11.806 1.00 0.00 H new ATOM 0 HE2 LYS A 12 93.077 -5.303 11.527 1.00 0.00 H new ATOM 0 HE3 LYS A 12 94.654 -5.261 10.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 95.472 -5.177 12.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 94.934 -3.567 12.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 93.959 -4.809 13.533 1.00 0.00 H new ATOM 204 N ILE A 13 88.763 -1.841 12.572 1.00 0.00 N ATOM 205 CA ILE A 13 87.951 -0.895 13.390 1.00 0.00 C ATOM 206 C ILE A 13 86.505 -1.388 13.488 1.00 0.00 C ATOM 207 O ILE A 13 85.666 -1.024 12.687 1.00 0.00 O ATOM 208 CB ILE A 13 88.018 0.437 12.643 1.00 0.00 C ATOM 209 CG1 ILE A 13 89.473 0.906 12.572 1.00 0.00 C ATOM 210 CG2 ILE A 13 87.183 1.480 13.386 1.00 0.00 C ATOM 211 CD1 ILE A 13 89.567 2.148 11.683 1.00 0.00 C ATOM 0 H ILE A 13 88.281 -2.242 11.767 1.00 0.00 H new ATOM 0 HA ILE A 13 88.324 -0.806 14.410 1.00 0.00 H new ATOM 0 HB ILE A 13 87.626 0.309 11.634 1.00 0.00 H new ATOM 0 HG12 ILE A 13 89.842 1.133 13.572 1.00 0.00 H new ATOM 0 HG13 ILE A 13 90.103 0.111 12.172 1.00 0.00 H new ATOM 0 HG21 ILE A 13 87.230 2.430 12.854 1.00 0.00 H new ATOM 0 HG22 ILE A 13 86.147 1.145 13.440 1.00 0.00 H new ATOM 0 HG23 ILE A 13 87.576 1.609 14.395 1.00 0.00 H new ATOM 0 HD11 ILE A 13 90.603 2.482 11.633 1.00 0.00 H new ATOM 0 HD12 ILE A 13 89.215 1.905 10.680 1.00 0.00 H new ATOM 0 HD13 ILE A 13 88.950 2.943 12.102 1.00 0.00 H new ATOM 223 N PRO A 14 86.267 -2.210 14.474 1.00 0.00 N ATOM 224 CA PRO A 14 84.913 -2.774 14.692 1.00 0.00 C ATOM 225 C PRO A 14 83.979 -1.723 15.302 1.00 0.00 C ATOM 226 O PRO A 14 82.792 -1.711 15.045 1.00 0.00 O ATOM 227 CB PRO A 14 85.157 -3.915 15.675 1.00 0.00 C ATOM 228 CG PRO A 14 86.414 -3.547 16.398 1.00 0.00 C ATOM 229 CD PRO A 14 87.233 -2.687 15.469 1.00 0.00 C ATOM 0 HA PRO A 14 84.435 -3.102 13.769 1.00 0.00 H new ATOM 0 HB2 PRO A 14 84.322 -4.024 16.367 1.00 0.00 H new ATOM 0 HB3 PRO A 14 85.266 -4.867 15.155 1.00 0.00 H new ATOM 0 HG2 PRO A 14 86.184 -3.008 17.317 1.00 0.00 H new ATOM 0 HG3 PRO A 14 86.969 -4.441 16.683 1.00 0.00 H new ATOM 0 HD2 PRO A 14 87.699 -1.858 16.001 1.00 0.00 H new ATOM 0 HD3 PRO A 14 88.036 -3.258 15.003 1.00 0.00 H new ATOM 237 N SER A 15 84.505 -0.847 16.113 1.00 0.00 N ATOM 238 CA SER A 15 83.647 0.196 16.746 1.00 0.00 C ATOM 239 C SER A 15 83.213 1.239 15.710 1.00 0.00 C ATOM 240 O SER A 15 82.303 2.012 15.938 1.00 0.00 O ATOM 241 CB SER A 15 84.531 0.838 17.813 1.00 0.00 C ATOM 242 OG SER A 15 85.255 1.917 17.236 1.00 0.00 O ATOM 0 H SER A 15 85.493 -0.808 16.365 1.00 0.00 H new ATOM 0 HA SER A 15 82.734 -0.225 17.167 1.00 0.00 H new ATOM 0 HB2 SER A 15 83.919 1.197 18.641 1.00 0.00 H new ATOM 0 HB3 SER A 15 85.221 0.100 18.223 1.00 0.00 H new ATOM 0 HG SER A 15 85.822 2.332 17.919 1.00 0.00 H new ATOM 248 N SER A 16 83.857 1.271 14.576 1.00 0.00 N ATOM 249 CA SER A 16 83.478 2.268 13.533 1.00 0.00 C ATOM 250 C SER A 16 82.976 1.555 12.274 1.00 0.00 C ATOM 251 O SER A 16 83.103 0.355 12.135 1.00 0.00 O ATOM 252 CB SER A 16 84.764 3.040 13.237 1.00 0.00 C ATOM 253 OG SER A 16 84.439 4.385 12.911 1.00 0.00 O ATOM 0 H SER A 16 84.628 0.652 14.326 1.00 0.00 H new ATOM 0 HA SER A 16 82.675 2.926 13.864 1.00 0.00 H new ATOM 0 HB2 SER A 16 85.426 3.013 14.103 1.00 0.00 H new ATOM 0 HB3 SER A 16 85.301 2.573 12.411 1.00 0.00 H new ATOM 0 HG SER A 16 85.261 4.884 12.722 1.00 0.00 H new ATOM 259 N GLU A 17 82.404 2.286 11.356 1.00 0.00 N ATOM 260 CA GLU A 17 81.892 1.651 10.108 1.00 0.00 C ATOM 261 C GLU A 17 82.425 2.390 8.878 1.00 0.00 C ATOM 262 O GLU A 17 82.478 3.603 8.858 1.00 0.00 O ATOM 263 CB GLU A 17 80.371 1.779 10.195 1.00 0.00 C ATOM 264 CG GLU A 17 79.802 0.586 10.964 1.00 0.00 C ATOM 265 CD GLU A 17 78.727 1.071 11.937 1.00 0.00 C ATOM 266 OE1 GLU A 17 78.787 2.224 12.330 1.00 0.00 O ATOM 267 OE2 GLU A 17 77.861 0.280 12.276 1.00 0.00 O ATOM 0 H GLU A 17 82.269 3.295 11.416 1.00 0.00 H new ATOM 0 HA GLU A 17 82.209 0.613 10.013 1.00 0.00 H new ATOM 0 HB2 GLU A 17 80.102 2.709 10.695 1.00 0.00 H new ATOM 0 HB3 GLU A 17 79.941 1.819 9.194 1.00 0.00 H new ATOM 0 HG2 GLU A 17 79.378 -0.139 10.269 1.00 0.00 H new ATOM 0 HG3 GLU A 17 80.598 0.078 11.509 1.00 0.00 H new ATOM 274 N PRO A 18 82.802 1.626 7.890 1.00 0.00 N ATOM 275 CA PRO A 18 83.338 2.209 6.636 1.00 0.00 C ATOM 276 C PRO A 18 82.211 2.847 5.815 1.00 0.00 C ATOM 277 O PRO A 18 82.401 3.855 5.164 1.00 0.00 O ATOM 278 CB PRO A 18 83.929 1.006 5.907 1.00 0.00 C ATOM 279 CG PRO A 18 83.187 -0.178 6.441 1.00 0.00 C ATOM 280 CD PRO A 18 82.767 0.159 7.849 1.00 0.00 C ATOM 0 HA PRO A 18 84.069 2.999 6.809 1.00 0.00 H new ATOM 0 HB2 PRO A 18 83.801 1.097 4.828 1.00 0.00 H new ATOM 0 HB3 PRO A 18 84.999 0.918 6.095 1.00 0.00 H new ATOM 0 HG2 PRO A 18 82.317 -0.398 5.822 1.00 0.00 H new ATOM 0 HG3 PRO A 18 83.819 -1.066 6.430 1.00 0.00 H new ATOM 0 HD2 PRO A 18 81.770 -0.223 8.070 1.00 0.00 H new ATOM 0 HD3 PRO A 18 83.445 -0.277 8.583 1.00 0.00 H new ATOM 288 N LEU A 19 81.042 2.267 5.838 1.00 0.00 N ATOM 289 CA LEU A 19 79.908 2.842 5.057 1.00 0.00 C ATOM 290 C LEU A 19 79.247 3.982 5.837 1.00 0.00 C ATOM 291 O LEU A 19 78.247 4.532 5.419 1.00 0.00 O ATOM 292 CB LEU A 19 78.926 1.684 4.873 1.00 0.00 C ATOM 293 CG LEU A 19 79.425 0.756 3.765 1.00 0.00 C ATOM 294 CD1 LEU A 19 78.554 -0.502 3.721 1.00 0.00 C ATOM 295 CD2 LEU A 19 79.341 1.480 2.418 1.00 0.00 C ATOM 0 H LEU A 19 80.822 1.421 6.363 1.00 0.00 H new ATOM 0 HA LEU A 19 80.236 3.258 4.104 1.00 0.00 H new ATOM 0 HB2 LEU A 19 78.823 1.130 5.806 1.00 0.00 H new ATOM 0 HB3 LEU A 19 77.938 2.069 4.621 1.00 0.00 H new ATOM 0 HG LEU A 19 80.459 0.475 3.965 1.00 0.00 H new ATOM 0 HD11 LEU A 19 78.910 -1.163 2.931 1.00 0.00 H new ATOM 0 HD12 LEU A 19 78.611 -1.018 4.679 1.00 0.00 H new ATOM 0 HD13 LEU A 19 77.520 -0.222 3.521 1.00 0.00 H new ATOM 0 HD21 LEU A 19 79.696 0.820 1.627 1.00 0.00 H new ATOM 0 HD22 LEU A 19 78.306 1.760 2.219 1.00 0.00 H new ATOM 0 HD23 LEU A 19 79.960 2.377 2.448 1.00 0.00 H new ATOM 307 N LEU A 20 79.793 4.340 6.967 1.00 0.00 N ATOM 308 CA LEU A 20 79.188 5.443 7.769 1.00 0.00 C ATOM 309 C LEU A 20 80.272 6.413 8.246 1.00 0.00 C ATOM 310 O LEU A 20 80.030 7.265 9.078 1.00 0.00 O ATOM 311 CB LEU A 20 78.528 4.751 8.961 1.00 0.00 C ATOM 312 CG LEU A 20 77.623 3.624 8.459 1.00 0.00 C ATOM 313 CD1 LEU A 20 77.188 2.757 9.642 1.00 0.00 C ATOM 314 CD2 LEU A 20 76.387 4.227 7.787 1.00 0.00 C ATOM 0 H LEU A 20 80.630 3.918 7.369 1.00 0.00 H new ATOM 0 HA LEU A 20 78.474 6.028 7.189 1.00 0.00 H new ATOM 0 HB2 LEU A 20 79.290 4.350 9.630 1.00 0.00 H new ATOM 0 HB3 LEU A 20 77.946 5.471 9.536 1.00 0.00 H new ATOM 0 HG LEU A 20 78.167 3.012 7.740 1.00 0.00 H new ATOM 0 HD11 LEU A 20 76.543 1.953 9.286 1.00 0.00 H new ATOM 0 HD12 LEU A 20 78.068 2.330 10.123 1.00 0.00 H new ATOM 0 HD13 LEU A 20 76.643 3.369 10.360 1.00 0.00 H new ATOM 0 HD21 LEU A 20 75.741 3.426 7.428 1.00 0.00 H new ATOM 0 HD22 LEU A 20 75.843 4.838 8.507 1.00 0.00 H new ATOM 0 HD23 LEU A 20 76.696 4.847 6.946 1.00 0.00 H new ATOM 326 N ASP A 21 81.464 6.294 7.729 1.00 0.00 N ATOM 327 CA ASP A 21 82.556 7.213 8.160 1.00 0.00 C ATOM 328 C ASP A 21 83.635 7.304 7.076 1.00 0.00 C ATOM 329 O ASP A 21 84.050 8.380 6.691 1.00 0.00 O ATOM 330 CB ASP A 21 83.126 6.580 9.430 1.00 0.00 C ATOM 331 CG ASP A 21 83.149 7.618 10.554 1.00 0.00 C ATOM 332 OD1 ASP A 21 83.451 8.765 10.268 1.00 0.00 O ATOM 333 OD2 ASP A 21 82.865 7.249 11.682 1.00 0.00 O ATOM 0 H ASP A 21 81.729 5.602 7.028 1.00 0.00 H new ATOM 0 HA ASP A 21 82.196 8.227 8.333 1.00 0.00 H new ATOM 0 HB2 ASP A 21 82.520 5.723 9.725 1.00 0.00 H new ATOM 0 HB3 ASP A 21 84.134 6.209 9.243 1.00 0.00 H new ATOM 338 N PHE A 22 84.091 6.186 6.583 1.00 0.00 N ATOM 339 CA PHE A 22 85.144 6.211 5.526 1.00 0.00 C ATOM 340 C PHE A 22 84.506 6.121 4.137 1.00 0.00 C ATOM 341 O PHE A 22 84.792 5.221 3.371 1.00 0.00 O ATOM 342 CB PHE A 22 86.009 4.978 5.797 1.00 0.00 C ATOM 343 CG PHE A 22 86.656 5.091 7.160 1.00 0.00 C ATOM 344 CD1 PHE A 22 87.004 6.347 7.675 1.00 0.00 C ATOM 345 CD2 PHE A 22 86.910 3.935 7.908 1.00 0.00 C ATOM 346 CE1 PHE A 22 87.605 6.445 8.936 1.00 0.00 C ATOM 347 CE2 PHE A 22 87.511 4.035 9.169 1.00 0.00 C ATOM 348 CZ PHE A 22 87.859 5.289 9.682 1.00 0.00 C ATOM 0 H PHE A 22 83.781 5.256 6.865 1.00 0.00 H new ATOM 0 HA PHE A 22 85.726 7.132 5.549 1.00 0.00 H new ATOM 0 HB2 PHE A 22 85.398 4.077 5.749 1.00 0.00 H new ATOM 0 HB3 PHE A 22 86.776 4.885 5.028 1.00 0.00 H new ATOM 0 HD1 PHE A 22 86.809 7.240 7.099 1.00 0.00 H new ATOM 0 HD2 PHE A 22 86.642 2.966 7.513 1.00 0.00 H new ATOM 0 HE1 PHE A 22 87.873 7.413 9.333 1.00 0.00 H new ATOM 0 HE2 PHE A 22 87.706 3.143 9.746 1.00 0.00 H new ATOM 0 HZ PHE A 22 88.324 5.365 10.654 1.00 0.00 H new ATOM 358 N ASN A 23 83.649 7.048 3.803 1.00 0.00 N ATOM 359 CA ASN A 23 83.000 7.015 2.459 1.00 0.00 C ATOM 360 C ASN A 23 82.952 8.425 1.863 1.00 0.00 C ATOM 361 O ASN A 23 82.696 9.391 2.553 1.00 0.00 O ATOM 362 CB ASN A 23 81.586 6.491 2.712 1.00 0.00 C ATOM 363 CG ASN A 23 81.290 5.344 1.745 1.00 0.00 C ATOM 364 OD1 ASN A 23 82.099 4.454 1.572 1.00 0.00 O ATOM 365 ND2 ASN A 23 80.155 5.327 1.101 1.00 0.00 N ATOM 0 H ASN A 23 83.370 7.826 4.401 1.00 0.00 H new ATOM 0 HA ASN A 23 83.544 6.388 1.753 1.00 0.00 H new ATOM 0 HB2 ASN A 23 81.493 6.147 3.742 1.00 0.00 H new ATOM 0 HB3 ASN A 23 80.860 7.292 2.577 1.00 0.00 H new ATOM 0 HD21 ASN A 23 79.948 4.567 0.453 1.00 0.00 H new ATOM 0 HD22 ASN A 23 79.475 6.074 1.246 1.00 0.00 H new ATOM 372 N ASN A 24 83.197 8.549 0.586 1.00 0.00 N ATOM 373 CA ASN A 24 83.167 9.898 -0.052 1.00 0.00 C ATOM 374 C ASN A 24 83.861 10.920 0.851 1.00 0.00 C ATOM 375 O ASN A 24 83.225 11.736 1.488 1.00 0.00 O ATOM 376 CB ASN A 24 81.684 10.234 -0.206 1.00 0.00 C ATOM 377 CG ASN A 24 81.519 11.353 -1.235 1.00 0.00 C ATOM 378 OD1 ASN A 24 82.345 12.240 -1.322 1.00 0.00 O ATOM 379 ND2 ASN A 24 80.479 11.349 -2.023 1.00 0.00 N ATOM 0 H ASN A 24 83.416 7.776 -0.042 1.00 0.00 H new ATOM 0 HA ASN A 24 83.686 9.915 -1.010 1.00 0.00 H new ATOM 0 HB2 ASN A 24 81.131 9.350 -0.523 1.00 0.00 H new ATOM 0 HB3 ASN A 24 81.269 10.543 0.753 1.00 0.00 H new ATOM 0 HD21 ASN A 24 80.359 12.091 -2.713 1.00 0.00 H new ATOM 0 HD22 ASN A 24 79.786 10.604 -1.949 1.00 0.00 H new ATOM 386 N TYR A 25 85.163 10.875 0.914 1.00 0.00 N ATOM 387 CA TYR A 25 85.906 11.836 1.778 1.00 0.00 C ATOM 388 C TYR A 25 87.247 12.191 1.126 1.00 0.00 C ATOM 389 O TYR A 25 87.801 11.420 0.371 1.00 0.00 O ATOM 390 CB TYR A 25 86.118 11.081 3.095 1.00 0.00 C ATOM 391 CG TYR A 25 87.266 11.691 3.867 1.00 0.00 C ATOM 392 CD1 TYR A 25 88.573 11.237 3.653 1.00 0.00 C ATOM 393 CD2 TYR A 25 87.021 12.708 4.797 1.00 0.00 C ATOM 394 CE1 TYR A 25 89.636 11.798 4.370 1.00 0.00 C ATOM 395 CE2 TYR A 25 88.084 13.271 5.514 1.00 0.00 C ATOM 396 CZ TYR A 25 89.391 12.816 5.301 1.00 0.00 C ATOM 397 OH TYR A 25 90.439 13.369 6.009 1.00 0.00 O ATOM 0 H TYR A 25 85.746 10.212 0.403 1.00 0.00 H new ATOM 0 HA TYR A 25 85.373 12.774 1.929 1.00 0.00 H new ATOM 0 HB2 TYR A 25 85.208 11.117 3.694 1.00 0.00 H new ATOM 0 HB3 TYR A 25 86.325 10.030 2.891 1.00 0.00 H new ATOM 0 HD1 TYR A 25 88.761 10.453 2.934 1.00 0.00 H new ATOM 0 HD2 TYR A 25 86.013 13.058 4.962 1.00 0.00 H new ATOM 0 HE1 TYR A 25 90.644 11.447 4.206 1.00 0.00 H new ATOM 0 HE2 TYR A 25 87.896 14.056 6.231 1.00 0.00 H new ATOM 0 HH TYR A 25 90.233 14.303 6.223 1.00 0.00 H new ATOM 407 N GLY A 26 87.771 13.351 1.404 1.00 0.00 N ATOM 408 CA GLY A 26 89.071 13.731 0.787 1.00 0.00 C ATOM 409 C GLY A 26 88.961 13.618 -0.730 1.00 0.00 C ATOM 410 O GLY A 26 87.882 13.536 -1.281 1.00 0.00 O ATOM 0 H GLY A 26 87.360 14.047 2.026 1.00 0.00 H new ATOM 0 HA2 GLY A 26 89.336 14.750 1.069 1.00 0.00 H new ATOM 0 HA3 GLY A 26 89.865 13.081 1.155 1.00 0.00 H new ATOM 414 N CYS A 27 90.070 13.618 -1.409 1.00 0.00 N ATOM 415 CA CYS A 27 90.034 13.516 -2.895 1.00 0.00 C ATOM 416 C CYS A 27 90.411 12.103 -3.356 1.00 0.00 C ATOM 417 O CYS A 27 90.215 11.747 -4.500 1.00 0.00 O ATOM 418 CB CYS A 27 91.071 14.530 -3.383 1.00 0.00 C ATOM 419 SG CYS A 27 90.515 15.258 -4.943 1.00 0.00 S ATOM 0 H CYS A 27 91.002 13.684 -1.001 1.00 0.00 H new ATOM 0 HA CYS A 27 89.039 13.716 -3.292 1.00 0.00 H new ATOM 0 HB2 CYS A 27 91.212 15.310 -2.635 1.00 0.00 H new ATOM 0 HB3 CYS A 27 92.036 14.042 -3.521 1.00 0.00 H new ATOM 424 N TYR A 28 90.955 11.295 -2.485 1.00 0.00 N ATOM 425 CA TYR A 28 91.344 9.917 -2.901 1.00 0.00 C ATOM 426 C TYR A 28 90.341 8.884 -2.376 1.00 0.00 C ATOM 427 O TYR A 28 89.945 7.980 -3.084 1.00 0.00 O ATOM 428 CB TYR A 28 92.723 9.697 -2.282 1.00 0.00 C ATOM 429 CG TYR A 28 93.716 10.614 -2.951 1.00 0.00 C ATOM 430 CD1 TYR A 28 94.079 10.395 -4.285 1.00 0.00 C ATOM 431 CD2 TYR A 28 94.272 11.685 -2.242 1.00 0.00 C ATOM 432 CE1 TYR A 28 94.997 11.245 -4.911 1.00 0.00 C ATOM 433 CE2 TYR A 28 95.191 12.537 -2.868 1.00 0.00 C ATOM 434 CZ TYR A 28 95.554 12.317 -4.202 1.00 0.00 C ATOM 435 OH TYR A 28 96.459 13.157 -4.819 1.00 0.00 O ATOM 0 H TYR A 28 91.146 11.528 -1.510 1.00 0.00 H new ATOM 0 HA TYR A 28 91.357 9.805 -3.985 1.00 0.00 H new ATOM 0 HB2 TYR A 28 92.690 9.895 -1.211 1.00 0.00 H new ATOM 0 HB3 TYR A 28 93.029 8.658 -2.405 1.00 0.00 H new ATOM 0 HD1 TYR A 28 93.650 9.569 -4.832 1.00 0.00 H new ATOM 0 HD2 TYR A 28 93.993 11.855 -1.213 1.00 0.00 H new ATOM 0 HE1 TYR A 28 95.276 11.075 -5.940 1.00 0.00 H new ATOM 0 HE2 TYR A 28 95.620 13.364 -2.321 1.00 0.00 H new ATOM 0 HH TYR A 28 96.027 14.014 -5.019 1.00 0.00 H new ATOM 445 N CYS A 29 89.929 9.005 -1.145 1.00 0.00 N ATOM 446 CA CYS A 29 88.957 8.017 -0.591 1.00 0.00 C ATOM 447 C CYS A 29 87.670 8.013 -1.424 1.00 0.00 C ATOM 448 O CYS A 29 86.809 8.853 -1.256 1.00 0.00 O ATOM 449 CB CYS A 29 88.674 8.490 0.834 1.00 0.00 C ATOM 450 SG CYS A 29 90.239 8.728 1.711 1.00 0.00 S ATOM 0 H CYS A 29 90.220 9.740 -0.501 1.00 0.00 H new ATOM 0 HA CYS A 29 89.349 7.000 -0.610 1.00 0.00 H new ATOM 0 HB2 CYS A 29 88.110 9.423 0.814 1.00 0.00 H new ATOM 0 HB3 CYS A 29 88.059 7.757 1.357 1.00 0.00 H new ATOM 455 N GLY A 30 87.534 7.072 -2.320 1.00 0.00 N ATOM 456 CA GLY A 30 86.304 7.012 -3.161 1.00 0.00 C ATOM 457 C GLY A 30 86.608 6.267 -4.465 1.00 0.00 C ATOM 458 O GLY A 30 87.343 5.300 -4.481 1.00 0.00 O ATOM 0 H GLY A 30 88.222 6.342 -2.506 1.00 0.00 H new ATOM 0 HA2 GLY A 30 85.505 6.506 -2.619 1.00 0.00 H new ATOM 0 HA3 GLY A 30 85.952 8.020 -3.380 1.00 0.00 H new ATOM 462 N LEU A 31 86.049 6.712 -5.559 1.00 0.00 N ATOM 463 CA LEU A 31 86.310 6.028 -6.859 1.00 0.00 C ATOM 464 C LEU A 31 87.632 6.517 -7.455 1.00 0.00 C ATOM 465 O LEU A 31 88.494 5.735 -7.806 1.00 0.00 O ATOM 466 CB LEU A 31 85.139 6.426 -7.760 1.00 0.00 C ATOM 467 CG LEU A 31 84.005 5.411 -7.607 1.00 0.00 C ATOM 468 CD1 LEU A 31 82.676 6.073 -7.975 1.00 0.00 C ATOM 469 CD2 LEU A 31 84.255 4.222 -8.537 1.00 0.00 C ATOM 0 H LEU A 31 85.425 7.517 -5.609 1.00 0.00 H new ATOM 0 HA LEU A 31 86.390 4.947 -6.748 1.00 0.00 H new ATOM 0 HB2 LEU A 31 84.786 7.423 -7.496 1.00 0.00 H new ATOM 0 HB3 LEU A 31 85.465 6.468 -8.799 1.00 0.00 H new ATOM 0 HG LEU A 31 83.966 5.063 -6.575 1.00 0.00 H new ATOM 0 HD11 LEU A 31 81.867 5.350 -7.866 1.00 0.00 H new ATOM 0 HD12 LEU A 31 82.496 6.921 -7.314 1.00 0.00 H new ATOM 0 HD13 LEU A 31 82.716 6.420 -9.007 1.00 0.00 H new ATOM 0 HD21 LEU A 31 83.447 3.499 -8.428 1.00 0.00 H new ATOM 0 HD22 LEU A 31 84.294 4.570 -9.569 1.00 0.00 H new ATOM 0 HD23 LEU A 31 85.202 3.750 -8.277 1.00 0.00 H new ATOM 481 N GLY A 32 87.800 7.806 -7.571 1.00 0.00 N ATOM 482 CA GLY A 32 89.066 8.345 -8.142 1.00 0.00 C ATOM 483 C GLY A 32 89.545 9.524 -7.295 1.00 0.00 C ATOM 484 O GLY A 32 88.873 9.961 -6.382 1.00 0.00 O ATOM 0 H GLY A 32 87.115 8.509 -7.295 1.00 0.00 H new ATOM 0 HA2 GLY A 32 89.828 7.566 -8.164 1.00 0.00 H new ATOM 0 HA3 GLY A 32 88.906 8.664 -9.172 1.00 0.00 H new ATOM 488 N GLY A 33 90.705 10.044 -7.589 1.00 0.00 N ATOM 489 CA GLY A 33 91.226 11.194 -6.801 1.00 0.00 C ATOM 490 C GLY A 33 92.304 11.921 -7.605 1.00 0.00 C ATOM 491 O GLY A 33 93.038 11.320 -8.363 1.00 0.00 O ATOM 0 H GLY A 33 91.314 9.721 -8.341 1.00 0.00 H new ATOM 0 HA2 GLY A 33 90.414 11.880 -6.559 1.00 0.00 H new ATOM 0 HA3 GLY A 33 91.639 10.843 -5.855 1.00 0.00 H new ATOM 495 N SER A 34 92.406 13.212 -7.445 1.00 0.00 N ATOM 496 CA SER A 34 93.438 13.976 -8.202 1.00 0.00 C ATOM 497 C SER A 34 93.652 15.351 -7.564 1.00 0.00 C ATOM 498 O SER A 34 92.787 16.205 -7.598 1.00 0.00 O ATOM 499 CB SER A 34 92.869 14.121 -9.613 1.00 0.00 C ATOM 500 OG SER A 34 91.505 14.510 -9.533 1.00 0.00 O ATOM 0 H SER A 34 91.820 13.770 -6.824 1.00 0.00 H new ATOM 0 HA SER A 34 94.405 13.473 -8.203 1.00 0.00 H new ATOM 0 HB2 SER A 34 93.438 14.863 -10.172 1.00 0.00 H new ATOM 0 HB3 SER A 34 92.959 13.178 -10.152 1.00 0.00 H new ATOM 0 HG SER A 34 91.403 15.206 -8.851 1.00 0.00 H new ATOM 506 N GLY A 35 94.798 15.571 -6.981 1.00 0.00 N ATOM 507 CA GLY A 35 95.067 16.888 -6.341 1.00 0.00 C ATOM 508 C GLY A 35 95.625 16.665 -4.934 1.00 0.00 C ATOM 509 O GLY A 35 95.654 15.558 -4.434 1.00 0.00 O ATOM 0 H GLY A 35 95.560 14.895 -6.920 1.00 0.00 H new ATOM 0 HA2 GLY A 35 95.778 17.457 -6.940 1.00 0.00 H new ATOM 0 HA3 GLY A 35 94.150 17.475 -6.292 1.00 0.00 H new ATOM 513 N THR A 36 96.071 17.709 -4.291 1.00 0.00 N ATOM 514 CA THR A 36 96.627 17.556 -2.917 1.00 0.00 C ATOM 515 C THR A 36 95.608 16.872 -2.001 1.00 0.00 C ATOM 516 O THR A 36 94.417 17.068 -2.140 1.00 0.00 O ATOM 517 CB THR A 36 96.895 18.986 -2.443 1.00 0.00 C ATOM 518 OG1 THR A 36 97.878 19.583 -3.277 1.00 0.00 O ATOM 519 CG2 THR A 36 97.396 18.960 -0.998 1.00 0.00 C ATOM 0 H THR A 36 96.074 18.661 -4.657 1.00 0.00 H new ATOM 0 HA THR A 36 97.527 16.941 -2.902 1.00 0.00 H new ATOM 0 HB THR A 36 95.974 19.566 -2.495 1.00 0.00 H new ATOM 0 HG1 THR A 36 98.050 20.500 -2.976 1.00 0.00 H new ATOM 0 HG21 THR A 36 97.587 19.979 -0.661 1.00 0.00 H new ATOM 0 HG22 THR A 36 96.641 18.502 -0.359 1.00 0.00 H new ATOM 0 HG23 THR A 36 98.318 18.381 -0.943 1.00 0.00 H new ATOM 527 N PRO A 37 96.118 16.091 -1.088 1.00 0.00 N ATOM 528 CA PRO A 37 95.245 15.370 -0.127 1.00 0.00 C ATOM 529 C PRO A 37 94.634 16.352 0.876 1.00 0.00 C ATOM 530 O PRO A 37 94.950 17.525 0.879 1.00 0.00 O ATOM 531 CB PRO A 37 96.201 14.400 0.565 1.00 0.00 C ATOM 532 CG PRO A 37 97.551 15.026 0.425 1.00 0.00 C ATOM 533 CD PRO A 37 97.539 15.808 -0.862 1.00 0.00 C ATOM 0 HA PRO A 37 94.405 14.863 -0.602 1.00 0.00 H new ATOM 0 HB2 PRO A 37 95.935 14.264 1.613 1.00 0.00 H new ATOM 0 HB3 PRO A 37 96.172 13.415 0.098 1.00 0.00 H new ATOM 0 HG2 PRO A 37 97.764 15.679 1.272 1.00 0.00 H new ATOM 0 HG3 PRO A 37 98.330 14.264 0.407 1.00 0.00 H new ATOM 0 HD2 PRO A 37 98.121 16.726 -0.778 1.00 0.00 H new ATOM 0 HD3 PRO A 37 97.968 15.233 -1.683 1.00 0.00 H new ATOM 541 N VAL A 38 93.758 15.887 1.725 1.00 0.00 N ATOM 542 CA VAL A 38 93.129 16.803 2.722 1.00 0.00 C ATOM 543 C VAL A 38 93.590 16.451 4.139 1.00 0.00 C ATOM 544 O VAL A 38 93.582 17.280 5.026 1.00 0.00 O ATOM 545 CB VAL A 38 91.624 16.573 2.578 1.00 0.00 C ATOM 546 CG1 VAL A 38 91.159 17.071 1.209 1.00 0.00 C ATOM 547 CG2 VAL A 38 91.324 15.078 2.705 1.00 0.00 C ATOM 0 H VAL A 38 93.451 14.916 1.772 1.00 0.00 H new ATOM 0 HA VAL A 38 93.403 17.844 2.551 1.00 0.00 H new ATOM 0 HB VAL A 38 91.097 17.119 3.360 1.00 0.00 H new ATOM 0 HG11 VAL A 38 90.086 16.907 1.107 1.00 0.00 H new ATOM 0 HG12 VAL A 38 91.373 18.136 1.117 1.00 0.00 H new ATOM 0 HG13 VAL A 38 91.685 16.526 0.425 1.00 0.00 H new ATOM 0 HG21 VAL A 38 90.252 14.912 2.603 1.00 0.00 H new ATOM 0 HG22 VAL A 38 91.852 14.533 1.922 1.00 0.00 H new ATOM 0 HG23 VAL A 38 91.655 14.722 3.681 1.00 0.00 H new ATOM 557 N ASP A 39 93.987 15.227 4.362 1.00 0.00 N ATOM 558 CA ASP A 39 94.442 14.834 5.727 1.00 0.00 C ATOM 559 C ASP A 39 95.169 13.488 5.681 1.00 0.00 C ATOM 560 O ASP A 39 95.301 12.877 4.640 1.00 0.00 O ATOM 561 CB ASP A 39 93.159 14.719 6.549 1.00 0.00 C ATOM 562 CG ASP A 39 93.440 15.122 7.998 1.00 0.00 C ATOM 563 OD1 ASP A 39 93.398 16.308 8.280 1.00 0.00 O ATOM 564 OD2 ASP A 39 93.694 14.237 8.799 1.00 0.00 O ATOM 0 H ASP A 39 94.016 14.486 3.662 1.00 0.00 H new ATOM 0 HA ASP A 39 95.140 15.555 6.152 1.00 0.00 H new ATOM 0 HB2 ASP A 39 92.386 15.360 6.126 1.00 0.00 H new ATOM 0 HB3 ASP A 39 92.782 13.697 6.512 1.00 0.00 H new ATOM 569 N ASP A 40 95.643 13.025 6.805 1.00 0.00 N ATOM 570 CA ASP A 40 96.363 11.718 6.829 1.00 0.00 C ATOM 571 C ASP A 40 95.451 10.600 6.320 1.00 0.00 C ATOM 572 O ASP A 40 95.902 9.645 5.720 1.00 0.00 O ATOM 573 CB ASP A 40 96.720 11.488 8.297 1.00 0.00 C ATOM 574 CG ASP A 40 98.166 11.921 8.545 1.00 0.00 C ATOM 575 OD1 ASP A 40 98.530 12.994 8.092 1.00 0.00 O ATOM 576 OD2 ASP A 40 98.886 11.172 9.185 1.00 0.00 O ATOM 0 H ASP A 40 95.564 13.494 7.707 1.00 0.00 H new ATOM 0 HA ASP A 40 97.246 11.724 6.190 1.00 0.00 H new ATOM 0 HB2 ASP A 40 96.045 12.053 8.939 1.00 0.00 H new ATOM 0 HB3 ASP A 40 96.596 10.436 8.552 1.00 0.00 H new ATOM 581 N LEU A 41 94.170 10.706 6.552 1.00 0.00 N ATOM 582 CA LEU A 41 93.244 9.642 6.074 1.00 0.00 C ATOM 583 C LEU A 41 93.232 9.615 4.545 1.00 0.00 C ATOM 584 O LEU A 41 93.373 8.574 3.934 1.00 0.00 O ATOM 585 CB LEU A 41 91.867 10.022 6.623 1.00 0.00 C ATOM 586 CG LEU A 41 90.917 8.828 6.493 1.00 0.00 C ATOM 587 CD1 LEU A 41 91.596 7.571 7.035 1.00 0.00 C ATOM 588 CD2 LEU A 41 89.646 9.096 7.299 1.00 0.00 C ATOM 0 H LEU A 41 93.728 11.479 7.049 1.00 0.00 H new ATOM 0 HA LEU A 41 93.544 8.650 6.410 1.00 0.00 H new ATOM 0 HB2 LEU A 41 91.950 10.322 7.668 1.00 0.00 H new ATOM 0 HB3 LEU A 41 91.470 10.877 6.077 1.00 0.00 H new ATOM 0 HG LEU A 41 90.664 8.684 5.443 1.00 0.00 H new ATOM 0 HD11 LEU A 41 90.918 6.722 6.942 1.00 0.00 H new ATOM 0 HD12 LEU A 41 92.505 7.374 6.466 1.00 0.00 H new ATOM 0 HD13 LEU A 41 91.850 7.719 8.085 1.00 0.00 H new ATOM 0 HD21 LEU A 41 88.970 8.246 7.206 1.00 0.00 H new ATOM 0 HD22 LEU A 41 89.904 9.241 8.348 1.00 0.00 H new ATOM 0 HD23 LEU A 41 89.156 9.992 6.918 1.00 0.00 H new ATOM 600 N ASP A 42 93.084 10.752 3.919 1.00 0.00 N ATOM 601 CA ASP A 42 93.087 10.779 2.430 1.00 0.00 C ATOM 602 C ASP A 42 94.377 10.130 1.931 1.00 0.00 C ATOM 603 O ASP A 42 94.381 9.373 0.981 1.00 0.00 O ATOM 604 CB ASP A 42 93.046 12.261 2.055 1.00 0.00 C ATOM 605 CG ASP A 42 92.378 12.423 0.688 1.00 0.00 C ATOM 606 OD1 ASP A 42 91.421 11.712 0.430 1.00 0.00 O ATOM 607 OD2 ASP A 42 92.835 13.257 -0.077 1.00 0.00 O ATOM 0 H ASP A 42 92.962 11.658 4.372 1.00 0.00 H new ATOM 0 HA ASP A 42 92.249 10.238 1.990 1.00 0.00 H new ATOM 0 HB2 ASP A 42 92.496 12.823 2.810 1.00 0.00 H new ATOM 0 HB3 ASP A 42 94.057 12.668 2.028 1.00 0.00 H new ATOM 612 N ARG A 43 95.470 10.411 2.586 1.00 0.00 N ATOM 613 CA ARG A 43 96.763 9.804 2.180 1.00 0.00 C ATOM 614 C ARG A 43 96.626 8.287 2.150 1.00 0.00 C ATOM 615 O ARG A 43 97.195 7.613 1.315 1.00 0.00 O ATOM 616 CB ARG A 43 97.744 10.227 3.272 1.00 0.00 C ATOM 617 CG ARG A 43 98.312 11.602 2.934 1.00 0.00 C ATOM 618 CD ARG A 43 99.816 11.486 2.686 1.00 0.00 C ATOM 619 NE ARG A 43 99.978 10.301 1.811 1.00 0.00 N ATOM 620 CZ ARG A 43 101.166 9.938 1.416 1.00 0.00 C ATOM 621 NH1 ARG A 43 102.120 9.765 2.290 1.00 0.00 N ATOM 622 NH2 ARG A 43 101.400 9.745 0.146 1.00 0.00 N ATOM 0 H ARG A 43 95.520 11.038 3.389 1.00 0.00 H new ATOM 0 HA ARG A 43 97.089 10.121 1.189 1.00 0.00 H new ATOM 0 HB2 ARG A 43 97.240 10.256 4.238 1.00 0.00 H new ATOM 0 HB3 ARG A 43 98.550 9.498 3.355 1.00 0.00 H new ATOM 0 HG2 ARG A 43 97.817 12.004 2.050 1.00 0.00 H new ATOM 0 HG3 ARG A 43 98.120 12.297 3.751 1.00 0.00 H new ATOM 0 HD2 ARG A 43 100.206 12.384 2.208 1.00 0.00 H new ATOM 0 HD3 ARG A 43 100.360 11.361 3.622 1.00 0.00 H new ATOM 0 HE ARG A 43 99.159 9.769 1.517 1.00 0.00 H new ATOM 0 HH11 ARG A 43 101.936 9.914 3.282 1.00 0.00 H new ATOM 0 HH12 ARG A 43 103.050 9.481 1.981 1.00 0.00 H new ATOM 0 HH21 ARG A 43 100.653 9.878 -0.536 1.00 0.00 H new ATOM 0 HH22 ARG A 43 102.329 9.461 -0.164 1.00 0.00 H new ATOM 636 N CYS A 44 95.870 7.745 3.061 1.00 0.00 N ATOM 637 CA CYS A 44 95.685 6.275 3.096 1.00 0.00 C ATOM 638 C CYS A 44 95.026 5.809 1.800 1.00 0.00 C ATOM 639 O CYS A 44 95.448 4.853 1.180 1.00 0.00 O ATOM 640 CB CYS A 44 94.767 6.014 4.290 1.00 0.00 C ATOM 641 SG CYS A 44 95.418 6.851 5.756 1.00 0.00 S ATOM 0 H CYS A 44 95.371 8.262 3.785 1.00 0.00 H new ATOM 0 HA CYS A 44 96.629 5.738 3.191 1.00 0.00 H new ATOM 0 HB2 CYS A 44 93.761 6.372 4.072 1.00 0.00 H new ATOM 0 HB3 CYS A 44 94.691 4.943 4.475 1.00 0.00 H new ATOM 646 N CYS A 45 93.992 6.489 1.384 1.00 0.00 N ATOM 647 CA CYS A 45 93.303 6.098 0.124 1.00 0.00 C ATOM 648 C CYS A 45 94.247 6.316 -1.058 1.00 0.00 C ATOM 649 O CYS A 45 94.458 5.436 -1.869 1.00 0.00 O ATOM 650 CB CYS A 45 92.088 7.022 0.032 1.00 0.00 C ATOM 651 SG CYS A 45 91.155 6.932 1.582 1.00 0.00 S ATOM 0 H CYS A 45 93.596 7.298 1.863 1.00 0.00 H new ATOM 0 HA CYS A 45 93.006 5.049 0.110 1.00 0.00 H new ATOM 0 HB2 CYS A 45 92.409 8.047 -0.155 1.00 0.00 H new ATOM 0 HB3 CYS A 45 91.455 6.728 -0.805 1.00 0.00 H new ATOM 656 N GLN A 46 94.835 7.478 -1.149 1.00 0.00 N ATOM 657 CA GLN A 46 95.783 7.741 -2.266 1.00 0.00 C ATOM 658 C GLN A 46 96.816 6.615 -2.315 1.00 0.00 C ATOM 659 O GLN A 46 97.257 6.201 -3.368 1.00 0.00 O ATOM 660 CB GLN A 46 96.450 9.072 -1.915 1.00 0.00 C ATOM 661 CG GLN A 46 97.259 9.577 -3.111 1.00 0.00 C ATOM 662 CD GLN A 46 98.087 10.786 -2.691 1.00 0.00 C ATOM 663 OE1 GLN A 46 98.145 11.123 -1.524 1.00 0.00 O ATOM 664 NE2 GLN A 46 98.737 11.456 -3.598 1.00 0.00 N ATOM 0 H GLN A 46 94.700 8.253 -0.500 1.00 0.00 H new ATOM 0 HA GLN A 46 95.295 7.785 -3.240 1.00 0.00 H new ATOM 0 HB2 GLN A 46 95.694 9.807 -1.639 1.00 0.00 H new ATOM 0 HB3 GLN A 46 97.102 8.946 -1.050 1.00 0.00 H new ATOM 0 HG2 GLN A 46 97.912 8.787 -3.482 1.00 0.00 H new ATOM 0 HG3 GLN A 46 96.590 9.847 -3.928 1.00 0.00 H new ATOM 0 HE21 GLN A 46 98.687 11.171 -4.576 1.00 0.00 H new ATOM 0 HE22 GLN A 46 99.297 12.266 -3.331 1.00 0.00 H new ATOM 673 N THR A 47 97.196 6.118 -1.171 1.00 0.00 N ATOM 674 CA THR A 47 98.189 5.017 -1.120 1.00 0.00 C ATOM 675 C THR A 47 97.537 3.702 -1.553 1.00 0.00 C ATOM 676 O THR A 47 98.168 2.849 -2.143 1.00 0.00 O ATOM 677 CB THR A 47 98.623 4.941 0.345 1.00 0.00 C ATOM 678 OG1 THR A 47 99.078 6.219 0.768 1.00 0.00 O ATOM 679 CG2 THR A 47 99.750 3.919 0.494 1.00 0.00 C ATOM 0 H THR A 47 96.856 6.433 -0.262 1.00 0.00 H new ATOM 0 HA THR A 47 99.034 5.191 -1.786 1.00 0.00 H new ATOM 0 HB THR A 47 97.777 4.634 0.960 1.00 0.00 H new ATOM 0 HG1 THR A 47 98.417 6.618 1.371 1.00 0.00 H new ATOM 0 HG21 THR A 47 100.058 3.866 1.538 1.00 0.00 H new ATOM 0 HG22 THR A 47 99.398 2.940 0.170 1.00 0.00 H new ATOM 0 HG23 THR A 47 100.599 4.221 -0.120 1.00 0.00 H new ATOM 687 N HIS A 48 96.274 3.537 -1.265 1.00 0.00 N ATOM 688 CA HIS A 48 95.579 2.283 -1.663 1.00 0.00 C ATOM 689 C HIS A 48 95.487 2.214 -3.185 1.00 0.00 C ATOM 690 O HIS A 48 95.880 1.243 -3.801 1.00 0.00 O ATOM 691 CB HIS A 48 94.187 2.387 -1.040 1.00 0.00 C ATOM 692 CG HIS A 48 93.468 1.075 -1.185 1.00 0.00 C ATOM 693 ND1 HIS A 48 92.092 1.001 -1.330 1.00 0.00 N ATOM 694 CD2 HIS A 48 93.919 -0.222 -1.206 1.00 0.00 C ATOM 695 CE1 HIS A 48 91.765 -0.301 -1.433 1.00 0.00 C ATOM 696 NE2 HIS A 48 92.842 -1.089 -1.363 1.00 0.00 N ATOM 0 H HIS A 48 95.695 4.217 -0.772 1.00 0.00 H new ATOM 0 HA HIS A 48 96.101 1.386 -1.329 1.00 0.00 H new ATOM 0 HB2 HIS A 48 94.269 2.653 0.014 1.00 0.00 H new ATOM 0 HB3 HIS A 48 93.619 3.180 -1.526 1.00 0.00 H new ATOM 0 HD2 HIS A 48 94.952 -0.523 -1.115 1.00 0.00 H new ATOM 0 HE1 HIS A 48 90.756 -0.664 -1.557 1.00 0.00 H new ATOM 0 HE2 HIS A 48 92.869 -2.107 -1.414 1.00 0.00 H new ATOM 704 N ASP A 49 94.982 3.249 -3.799 1.00 0.00 N ATOM 705 CA ASP A 49 94.877 3.255 -5.279 1.00 0.00 C ATOM 706 C ASP A 49 96.270 3.081 -5.889 1.00 0.00 C ATOM 707 O ASP A 49 96.454 2.381 -6.865 1.00 0.00 O ATOM 708 CB ASP A 49 94.299 4.626 -5.629 1.00 0.00 C ATOM 709 CG ASP A 49 92.771 4.568 -5.568 1.00 0.00 C ATOM 710 OD1 ASP A 49 92.185 3.947 -6.439 1.00 0.00 O ATOM 711 OD2 ASP A 49 92.212 5.146 -4.650 1.00 0.00 O ATOM 0 H ASP A 49 94.638 4.090 -3.336 1.00 0.00 H new ATOM 0 HA ASP A 49 94.253 2.448 -5.662 1.00 0.00 H new ATOM 0 HB2 ASP A 49 94.673 5.378 -4.934 1.00 0.00 H new ATOM 0 HB3 ASP A 49 94.622 4.925 -6.626 1.00 0.00 H new ATOM 716 N ASN A 50 97.253 3.714 -5.309 1.00 0.00 N ATOM 717 CA ASN A 50 98.639 3.597 -5.833 1.00 0.00 C ATOM 718 C ASN A 50 99.101 2.139 -5.783 1.00 0.00 C ATOM 719 O ASN A 50 99.804 1.669 -6.655 1.00 0.00 O ATOM 720 CB ASN A 50 99.482 4.464 -4.895 1.00 0.00 C ATOM 721 CG ASN A 50 99.500 5.904 -5.410 1.00 0.00 C ATOM 722 OD1 ASN A 50 99.046 6.175 -6.504 1.00 0.00 O ATOM 723 ND2 ASN A 50 100.008 6.846 -4.665 1.00 0.00 N ATOM 0 H ASN A 50 97.152 4.311 -4.488 1.00 0.00 H new ATOM 0 HA ASN A 50 98.722 3.917 -6.872 1.00 0.00 H new ATOM 0 HB2 ASN A 50 99.071 4.433 -3.886 1.00 0.00 H new ATOM 0 HB3 ASN A 50 100.498 4.074 -4.838 1.00 0.00 H new ATOM 0 HD21 ASN A 50 100.024 7.809 -5.001 1.00 0.00 H new ATOM 0 HD22 ASN A 50 100.389 6.620 -3.746 1.00 0.00 H new ATOM 730 N CYS A 51 98.709 1.420 -4.766 1.00 0.00 N ATOM 731 CA CYS A 51 99.124 -0.006 -4.660 1.00 0.00 C ATOM 732 C CYS A 51 98.484 -0.821 -5.789 1.00 0.00 C ATOM 733 O CYS A 51 99.102 -1.694 -6.365 1.00 0.00 O ATOM 734 CB CYS A 51 98.602 -0.469 -3.300 1.00 0.00 C ATOM 735 SG CYS A 51 99.518 -1.937 -2.769 1.00 0.00 S ATOM 0 H CYS A 51 98.120 1.759 -4.005 1.00 0.00 H new ATOM 0 HA CYS A 51 100.203 -0.134 -4.745 1.00 0.00 H new ATOM 0 HB2 CYS A 51 98.714 0.328 -2.565 1.00 0.00 H new ATOM 0 HB3 CYS A 51 97.538 -0.695 -3.365 1.00 0.00 H new ATOM 740 N TYR A 52 97.250 -0.537 -6.113 1.00 0.00 N ATOM 741 CA TYR A 52 96.574 -1.292 -7.209 1.00 0.00 C ATOM 742 C TYR A 52 97.329 -1.090 -8.526 1.00 0.00 C ATOM 743 O TYR A 52 97.337 -1.946 -9.390 1.00 0.00 O ATOM 744 CB TYR A 52 95.172 -0.686 -7.301 1.00 0.00 C ATOM 745 CG TYR A 52 94.251 -1.386 -6.331 1.00 0.00 C ATOM 746 CD1 TYR A 52 94.708 -1.730 -5.053 1.00 0.00 C ATOM 747 CD2 TYR A 52 92.937 -1.689 -6.709 1.00 0.00 C ATOM 748 CE1 TYR A 52 93.851 -2.378 -4.154 1.00 0.00 C ATOM 749 CE2 TYR A 52 92.081 -2.336 -5.810 1.00 0.00 C ATOM 750 CZ TYR A 52 92.537 -2.681 -4.533 1.00 0.00 C ATOM 751 OH TYR A 52 91.693 -3.318 -3.647 1.00 0.00 O ATOM 0 H TYR A 52 96.682 0.183 -5.667 1.00 0.00 H new ATOM 0 HA TYR A 52 96.543 -2.364 -7.016 1.00 0.00 H new ATOM 0 HB2 TYR A 52 95.211 0.380 -7.076 1.00 0.00 H new ATOM 0 HB3 TYR A 52 94.789 -0.784 -8.317 1.00 0.00 H new ATOM 0 HD1 TYR A 52 95.721 -1.496 -4.760 1.00 0.00 H new ATOM 0 HD2 TYR A 52 92.584 -1.423 -7.694 1.00 0.00 H new ATOM 0 HE1 TYR A 52 94.204 -2.644 -3.168 1.00 0.00 H new ATOM 0 HE2 TYR A 52 91.068 -2.569 -6.102 1.00 0.00 H new ATOM 0 HH TYR A 52 92.022 -3.191 -2.733 1.00 0.00 H new ATOM 761 N LYS A 53 97.974 0.035 -8.678 1.00 0.00 N ATOM 762 CA LYS A 53 98.739 0.294 -9.934 1.00 0.00 C ATOM 763 C LYS A 53 99.992 -0.563 -9.922 1.00 0.00 C ATOM 764 O LYS A 53 100.270 -1.315 -10.834 1.00 0.00 O ATOM 765 CB LYS A 53 99.137 1.778 -9.893 1.00 0.00 C ATOM 766 CG LYS A 53 98.018 2.617 -9.286 1.00 0.00 C ATOM 767 CD LYS A 53 97.533 3.644 -10.310 1.00 0.00 C ATOM 768 CE LYS A 53 97.034 4.894 -9.582 1.00 0.00 C ATOM 769 NZ LYS A 53 98.261 5.693 -9.304 1.00 0.00 N ATOM 0 H LYS A 53 98.005 0.786 -7.988 1.00 0.00 H new ATOM 0 HA LYS A 53 98.157 0.062 -10.826 1.00 0.00 H new ATOM 0 HB2 LYS A 53 100.048 1.900 -9.308 1.00 0.00 H new ATOM 0 HB3 LYS A 53 99.356 2.129 -10.901 1.00 0.00 H new ATOM 0 HG2 LYS A 53 97.192 1.974 -8.982 1.00 0.00 H new ATOM 0 HG3 LYS A 53 98.375 3.123 -8.389 1.00 0.00 H new ATOM 0 HD2 LYS A 53 98.343 3.906 -10.990 1.00 0.00 H new ATOM 0 HD3 LYS A 53 96.733 3.219 -10.916 1.00 0.00 H new ATOM 0 HE2 LYS A 53 96.329 5.454 -10.197 1.00 0.00 H new ATOM 0 HE3 LYS A 53 96.515 4.633 -8.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 98.392 5.782 -8.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 99.087 5.216 -9.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 98.162 6.639 -9.724 1.00 0.00 H new ATOM 783 N GLN A 54 100.742 -0.443 -8.872 1.00 0.00 N ATOM 784 CA GLN A 54 101.993 -1.231 -8.741 1.00 0.00 C ATOM 785 C GLN A 54 101.689 -2.724 -8.882 1.00 0.00 C ATOM 786 O GLN A 54 102.490 -3.489 -9.383 1.00 0.00 O ATOM 787 CB GLN A 54 102.503 -0.923 -7.334 1.00 0.00 C ATOM 788 CG GLN A 54 103.046 0.505 -7.286 1.00 0.00 C ATOM 789 CD GLN A 54 104.568 0.479 -7.433 1.00 0.00 C ATOM 790 OE1 GLN A 54 105.285 0.658 -6.469 1.00 0.00 O ATOM 791 NE2 GLN A 54 105.093 0.261 -8.607 1.00 0.00 N ATOM 0 H GLN A 54 100.540 0.176 -8.087 1.00 0.00 H new ATOM 0 HA GLN A 54 102.726 -0.979 -9.508 1.00 0.00 H new ATOM 0 HB2 GLN A 54 101.697 -1.041 -6.610 1.00 0.00 H new ATOM 0 HB3 GLN A 54 103.285 -1.630 -7.057 1.00 0.00 H new ATOM 0 HG2 GLN A 54 102.603 1.100 -8.085 1.00 0.00 H new ATOM 0 HG3 GLN A 54 102.769 0.979 -6.344 1.00 0.00 H new ATOM 0 HE21 GLN A 54 104.490 0.111 -9.416 1.00 0.00 H new ATOM 0 HE22 GLN A 54 106.107 0.241 -8.716 1.00 0.00 H new ATOM 800 N ALA A 55 100.536 -3.140 -8.441 1.00 0.00 N ATOM 801 CA ALA A 55 100.170 -4.583 -8.540 1.00 0.00 C ATOM 802 C ALA A 55 100.090 -5.010 -10.007 1.00 0.00 C ATOM 803 O ALA A 55 100.558 -6.065 -10.383 1.00 0.00 O ATOM 804 CB ALA A 55 98.798 -4.691 -7.875 1.00 0.00 C ATOM 0 H ALA A 55 99.828 -2.542 -8.015 1.00 0.00 H new ATOM 0 HA ALA A 55 100.907 -5.229 -8.062 1.00 0.00 H new ATOM 0 HB1 ALA A 55 98.458 -5.726 -7.908 1.00 0.00 H new ATOM 0 HB2 ALA A 55 98.870 -4.365 -6.837 1.00 0.00 H new ATOM 0 HB3 ALA A 55 98.086 -4.059 -8.405 1.00 0.00 H new ATOM 810 N LYS A 56 99.498 -4.199 -10.840 1.00 0.00 N ATOM 811 CA LYS A 56 99.394 -4.569 -12.282 1.00 0.00 C ATOM 812 C LYS A 56 100.788 -4.637 -12.911 1.00 0.00 C ATOM 813 O LYS A 56 101.071 -5.495 -13.723 1.00 0.00 O ATOM 814 CB LYS A 56 98.565 -3.456 -12.923 1.00 0.00 C ATOM 815 CG LYS A 56 97.079 -3.731 -12.684 1.00 0.00 C ATOM 816 CD LYS A 56 96.254 -3.115 -13.816 1.00 0.00 C ATOM 817 CE LYS A 56 95.247 -2.121 -13.231 1.00 0.00 C ATOM 818 NZ LYS A 56 94.003 -2.320 -14.026 1.00 0.00 N ATOM 0 H LYS A 56 99.084 -3.302 -10.588 1.00 0.00 H new ATOM 0 HA LYS A 56 98.934 -5.547 -12.425 1.00 0.00 H new ATOM 0 HB2 LYS A 56 98.841 -2.491 -12.498 1.00 0.00 H new ATOM 0 HB3 LYS A 56 98.770 -3.404 -13.992 1.00 0.00 H new ATOM 0 HG2 LYS A 56 96.901 -4.805 -12.634 1.00 0.00 H new ATOM 0 HG3 LYS A 56 96.771 -3.312 -11.726 1.00 0.00 H new ATOM 0 HD2 LYS A 56 96.910 -2.610 -14.525 1.00 0.00 H new ATOM 0 HD3 LYS A 56 95.731 -3.897 -14.367 1.00 0.00 H new ATOM 0 HE2 LYS A 56 95.073 -2.312 -12.172 1.00 0.00 H new ATOM 0 HE3 LYS A 56 95.609 -1.096 -13.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 93.255 -1.697 -13.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 94.188 -2.092 -15.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 93.696 -3.311 -13.949 1.00 0.00 H new ATOM 832 N LYS A 57 101.662 -3.740 -12.544 1.00 0.00 N ATOM 833 CA LYS A 57 103.031 -3.754 -13.121 1.00 0.00 C ATOM 834 C LYS A 57 103.717 -5.090 -12.825 1.00 0.00 C ATOM 835 O LYS A 57 104.500 -5.583 -13.612 1.00 0.00 O ATOM 836 CB LYS A 57 103.768 -2.610 -12.424 1.00 0.00 C ATOM 837 CG LYS A 57 104.434 -1.717 -13.473 1.00 0.00 C ATOM 838 CD LYS A 57 105.913 -2.088 -13.596 1.00 0.00 C ATOM 839 CE LYS A 57 106.323 -2.071 -15.070 1.00 0.00 C ATOM 840 NZ LYS A 57 107.461 -1.111 -15.142 1.00 0.00 N ATOM 0 H LYS A 57 101.484 -2.997 -11.868 1.00 0.00 H new ATOM 0 HA LYS A 57 103.022 -3.634 -14.204 1.00 0.00 H new ATOM 0 HB2 LYS A 57 103.070 -2.026 -11.824 1.00 0.00 H new ATOM 0 HB3 LYS A 57 104.518 -3.009 -11.742 1.00 0.00 H new ATOM 0 HG2 LYS A 57 103.937 -1.837 -14.436 1.00 0.00 H new ATOM 0 HG3 LYS A 57 104.334 -0.669 -13.190 1.00 0.00 H new ATOM 0 HD2 LYS A 57 106.524 -1.385 -13.030 1.00 0.00 H new ATOM 0 HD3 LYS A 57 106.088 -3.076 -13.170 1.00 0.00 H new ATOM 0 HE2 LYS A 57 106.622 -3.063 -15.408 1.00 0.00 H new ATOM 0 HE3 LYS A 57 105.497 -1.753 -15.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 107.798 -1.045 -16.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 107.145 -0.174 -14.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 108.235 -1.444 -14.532 1.00 0.00 H new ATOM 854 N LEU A 58 103.432 -5.675 -11.694 1.00 0.00 N ATOM 855 CA LEU A 58 104.069 -6.977 -11.343 1.00 0.00 C ATOM 856 C LEU A 58 104.120 -7.897 -12.566 1.00 0.00 C ATOM 857 O LEU A 58 103.104 -8.318 -13.081 1.00 0.00 O ATOM 858 CB LEU A 58 103.173 -7.578 -10.261 1.00 0.00 C ATOM 859 CG LEU A 58 104.030 -8.013 -9.072 1.00 0.00 C ATOM 860 CD1 LEU A 58 104.686 -6.784 -8.440 1.00 0.00 C ATOM 861 CD2 LEU A 58 103.144 -8.707 -8.037 1.00 0.00 C ATOM 0 H LEU A 58 102.785 -5.307 -10.997 1.00 0.00 H new ATOM 0 HA LEU A 58 105.096 -6.850 -11.001 1.00 0.00 H new ATOM 0 HB2 LEU A 58 102.432 -6.846 -9.940 1.00 0.00 H new ATOM 0 HB3 LEU A 58 102.626 -8.432 -10.660 1.00 0.00 H new ATOM 0 HG LEU A 58 104.803 -8.702 -9.412 1.00 0.00 H new ATOM 0 HD11 LEU A 58 105.297 -7.093 -7.592 1.00 0.00 H new ATOM 0 HD12 LEU A 58 105.315 -6.287 -9.179 1.00 0.00 H new ATOM 0 HD13 LEU A 58 103.914 -6.095 -8.098 1.00 0.00 H new ATOM 0 HD21 LEU A 58 103.752 -9.018 -7.188 1.00 0.00 H new ATOM 0 HD22 LEU A 58 102.372 -8.016 -7.697 1.00 0.00 H new ATOM 0 HD23 LEU A 58 102.675 -9.582 -8.488 1.00 0.00 H new ATOM 873 N ASP A 59 105.297 -8.215 -13.032 1.00 0.00 N ATOM 874 CA ASP A 59 105.410 -9.111 -14.218 1.00 0.00 C ATOM 875 C ASP A 59 104.477 -10.314 -14.055 1.00 0.00 C ATOM 876 O ASP A 59 103.657 -10.597 -14.905 1.00 0.00 O ATOM 877 CB ASP A 59 106.872 -9.560 -14.236 1.00 0.00 C ATOM 878 CG ASP A 59 107.650 -8.728 -15.255 1.00 0.00 C ATOM 879 OD1 ASP A 59 107.122 -7.718 -15.692 1.00 0.00 O ATOM 880 OD2 ASP A 59 108.760 -9.113 -15.582 1.00 0.00 O ATOM 0 H ASP A 59 106.184 -7.894 -12.644 1.00 0.00 H new ATOM 0 HA ASP A 59 105.128 -8.613 -15.146 1.00 0.00 H new ATOM 0 HB2 ASP A 59 107.311 -9.444 -13.245 1.00 0.00 H new ATOM 0 HB3 ASP A 59 106.935 -10.618 -14.491 1.00 0.00 H new ATOM 885 N SER A 60 104.597 -11.024 -12.966 1.00 0.00 N ATOM 886 CA SER A 60 103.723 -12.206 -12.741 1.00 0.00 C ATOM 887 C SER A 60 102.250 -11.815 -12.893 1.00 0.00 C ATOM 888 O SER A 60 101.439 -12.584 -13.368 1.00 0.00 O ATOM 889 CB SER A 60 104.014 -12.650 -11.307 1.00 0.00 C ATOM 890 OG SER A 60 105.419 -12.676 -11.099 1.00 0.00 O ATOM 0 H SER A 60 105.266 -10.834 -12.220 1.00 0.00 H new ATOM 0 HA SER A 60 103.915 -13.002 -13.461 1.00 0.00 H new ATOM 0 HB2 SER A 60 103.543 -11.967 -10.600 1.00 0.00 H new ATOM 0 HB3 SER A 60 103.590 -13.638 -11.127 1.00 0.00 H new ATOM 0 HG SER A 60 105.693 -11.870 -10.614 1.00 0.00 H new ATOM 896 N CYS A 61 101.900 -10.624 -12.489 1.00 0.00 N ATOM 897 CA CYS A 61 100.479 -10.184 -12.606 1.00 0.00 C ATOM 898 C CYS A 61 100.182 -9.718 -14.035 1.00 0.00 C ATOM 899 O CYS A 61 99.088 -9.885 -14.537 1.00 0.00 O ATOM 900 CB CYS A 61 100.344 -9.022 -11.622 1.00 0.00 C ATOM 901 SG CYS A 61 100.416 -9.653 -9.928 1.00 0.00 S ATOM 0 H CYS A 61 102.535 -9.937 -12.083 1.00 0.00 H new ATOM 0 HA CYS A 61 99.778 -10.989 -12.386 1.00 0.00 H new ATOM 0 HB2 CYS A 61 101.142 -8.298 -11.786 1.00 0.00 H new ATOM 0 HB3 CYS A 61 99.402 -8.500 -11.787 1.00 0.00 H new ATOM 906 N LYS A 62 101.147 -9.136 -14.693 1.00 0.00 N ATOM 907 CA LYS A 62 100.915 -8.661 -16.088 1.00 0.00 C ATOM 908 C LYS A 62 100.436 -9.821 -16.967 1.00 0.00 C ATOM 909 O LYS A 62 99.567 -9.662 -17.801 1.00 0.00 O ATOM 910 CB LYS A 62 102.274 -8.149 -16.566 1.00 0.00 C ATOM 911 CG LYS A 62 102.117 -7.487 -17.937 1.00 0.00 C ATOM 912 CD LYS A 62 102.593 -6.035 -17.859 1.00 0.00 C ATOM 913 CE LYS A 62 104.010 -5.932 -18.427 1.00 0.00 C ATOM 914 NZ LYS A 62 103.823 -5.628 -19.873 1.00 0.00 N ATOM 0 H LYS A 62 102.084 -8.969 -14.327 1.00 0.00 H new ATOM 0 HA LYS A 62 100.150 -7.886 -16.139 1.00 0.00 H new ATOM 0 HB2 LYS A 62 102.678 -7.434 -15.849 1.00 0.00 H new ATOM 0 HB3 LYS A 62 102.984 -8.974 -16.628 1.00 0.00 H new ATOM 0 HG2 LYS A 62 102.695 -8.031 -18.684 1.00 0.00 H new ATOM 0 HG3 LYS A 62 101.074 -7.523 -18.253 1.00 0.00 H new ATOM 0 HD2 LYS A 62 101.917 -5.389 -18.419 1.00 0.00 H new ATOM 0 HD3 LYS A 62 102.578 -5.691 -16.825 1.00 0.00 H new ATOM 0 HE2 LYS A 62 104.579 -5.147 -17.929 1.00 0.00 H new ATOM 0 HE3 LYS A 62 104.560 -6.862 -18.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 104.752 -5.542 -20.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 103.284 -6.396 -20.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 103.302 -4.734 -19.975 1.00 0.00 H new ATOM 928 N VAL A 63 100.996 -10.985 -16.784 1.00 0.00 N ATOM 929 CA VAL A 63 100.570 -12.153 -17.609 1.00 0.00 C ATOM 930 C VAL A 63 99.242 -12.709 -17.082 1.00 0.00 C ATOM 931 O VAL A 63 98.520 -13.392 -17.783 1.00 0.00 O ATOM 932 CB VAL A 63 101.704 -13.177 -17.459 1.00 0.00 C ATOM 933 CG1 VAL A 63 101.503 -14.015 -16.193 1.00 0.00 C ATOM 934 CG2 VAL A 63 101.720 -14.098 -18.681 1.00 0.00 C ATOM 0 H VAL A 63 101.728 -11.179 -16.101 1.00 0.00 H new ATOM 0 HA VAL A 63 100.404 -11.893 -18.655 1.00 0.00 H new ATOM 0 HB VAL A 63 102.652 -12.645 -17.382 1.00 0.00 H new ATOM 0 HG11 VAL A 63 102.315 -14.736 -16.101 1.00 0.00 H new ATOM 0 HG12 VAL A 63 101.498 -13.361 -15.321 1.00 0.00 H new ATOM 0 HG13 VAL A 63 100.553 -14.545 -16.255 1.00 0.00 H new ATOM 0 HG21 VAL A 63 102.524 -14.826 -18.577 1.00 0.00 H new ATOM 0 HG22 VAL A 63 100.766 -14.619 -18.756 1.00 0.00 H new ATOM 0 HG23 VAL A 63 101.881 -13.505 -19.581 1.00 0.00 H new ATOM 944 N LEU A 64 98.916 -12.420 -15.852 1.00 0.00 N ATOM 945 CA LEU A 64 97.638 -12.926 -15.274 1.00 0.00 C ATOM 946 C LEU A 64 96.510 -11.920 -15.519 1.00 0.00 C ATOM 947 O LEU A 64 95.353 -12.200 -15.279 1.00 0.00 O ATOM 948 CB LEU A 64 97.909 -13.061 -13.775 1.00 0.00 C ATOM 949 CG LEU A 64 98.626 -14.383 -13.496 1.00 0.00 C ATOM 950 CD1 LEU A 64 99.246 -14.338 -12.099 1.00 0.00 C ATOM 951 CD2 LEU A 64 97.618 -15.532 -13.568 1.00 0.00 C ATOM 0 H LEU A 64 99.482 -11.853 -15.220 1.00 0.00 H new ATOM 0 HA LEU A 64 97.329 -13.870 -15.723 1.00 0.00 H new ATOM 0 HB2 LEU A 64 98.519 -12.226 -13.430 1.00 0.00 H new ATOM 0 HB3 LEU A 64 96.971 -13.021 -13.221 1.00 0.00 H new ATOM 0 HG LEU A 64 99.409 -14.538 -14.238 1.00 0.00 H new ATOM 0 HD11 LEU A 64 99.758 -15.279 -11.898 1.00 0.00 H new ATOM 0 HD12 LEU A 64 99.961 -13.517 -12.045 1.00 0.00 H new ATOM 0 HD13 LEU A 64 98.462 -14.186 -11.358 1.00 0.00 H new ATOM 0 HD21 LEU A 64 98.127 -16.475 -13.369 1.00 0.00 H new ATOM 0 HD22 LEU A 64 96.837 -15.378 -12.824 1.00 0.00 H new ATOM 0 HD23 LEU A 64 97.172 -15.563 -14.562 1.00 0.00 H new ATOM 963 N VAL A 65 96.837 -10.749 -16.001 1.00 0.00 N ATOM 964 CA VAL A 65 95.786 -9.729 -16.265 1.00 0.00 C ATOM 965 C VAL A 65 94.855 -9.634 -15.057 1.00 0.00 C ATOM 966 O VAL A 65 93.711 -9.233 -15.135 1.00 0.00 O ATOM 967 CB VAL A 65 95.106 -10.286 -17.502 1.00 0.00 C ATOM 968 CG1 VAL A 65 93.606 -9.973 -17.514 1.00 0.00 C ATOM 969 CG2 VAL A 65 95.759 -9.693 -18.752 1.00 0.00 C ATOM 0 H VAL A 65 97.789 -10.457 -16.223 1.00 0.00 H new ATOM 0 HA VAL A 65 96.146 -8.712 -16.422 1.00 0.00 H new ATOM 0 HB VAL A 65 95.223 -11.370 -17.491 1.00 0.00 H new ATOM 0 HG11 VAL A 65 93.155 -10.388 -18.415 1.00 0.00 H new ATOM 0 HG12 VAL A 65 93.135 -10.415 -16.636 1.00 0.00 H new ATOM 0 HG13 VAL A 65 93.460 -8.893 -17.499 1.00 0.00 H new ATOM 0 HG21 VAL A 65 95.272 -10.092 -19.641 1.00 0.00 H new ATOM 0 HG22 VAL A 65 95.655 -8.608 -18.737 1.00 0.00 H new ATOM 0 HG23 VAL A 65 96.817 -9.956 -18.769 1.00 0.00 H new ATOM 979 N ASP A 66 95.373 -9.997 -13.938 1.00 0.00 N ATOM 980 CA ASP A 66 94.586 -9.952 -12.677 1.00 0.00 C ATOM 981 C ASP A 66 94.003 -8.554 -12.458 1.00 0.00 C ATOM 982 O ASP A 66 94.630 -7.697 -11.869 1.00 0.00 O ATOM 983 CB ASP A 66 95.588 -10.294 -11.575 1.00 0.00 C ATOM 984 CG ASP A 66 94.849 -10.468 -10.248 1.00 0.00 C ATOM 985 OD1 ASP A 66 93.654 -10.222 -10.221 1.00 0.00 O ATOM 986 OD2 ASP A 66 95.491 -10.844 -9.280 1.00 0.00 O ATOM 0 H ASP A 66 96.330 -10.332 -13.831 1.00 0.00 H new ATOM 0 HA ASP A 66 93.743 -10.643 -12.694 1.00 0.00 H new ATOM 0 HB2 ASP A 66 96.124 -11.209 -11.827 1.00 0.00 H new ATOM 0 HB3 ASP A 66 96.332 -9.503 -11.488 1.00 0.00 H new ATOM 991 N ASN A 67 92.805 -8.319 -12.920 1.00 0.00 N ATOM 992 CA ASN A 67 92.186 -6.977 -12.728 1.00 0.00 C ATOM 993 C ASN A 67 91.974 -6.708 -11.236 1.00 0.00 C ATOM 994 O ASN A 67 91.607 -7.595 -10.491 1.00 0.00 O ATOM 995 CB ASN A 67 90.846 -7.050 -13.459 1.00 0.00 C ATOM 996 CG ASN A 67 90.891 -6.150 -14.695 1.00 0.00 C ATOM 997 OD1 ASN A 67 91.827 -6.204 -15.468 1.00 0.00 O ATOM 998 ND2 ASN A 67 89.910 -5.317 -14.917 1.00 0.00 N ATOM 0 H ASN A 67 92.230 -8.996 -13.421 1.00 0.00 H new ATOM 0 HA ASN A 67 92.812 -6.171 -13.111 1.00 0.00 H new ATOM 0 HB2 ASN A 67 90.635 -8.078 -13.752 1.00 0.00 H new ATOM 0 HB3 ASN A 67 90.040 -6.736 -12.796 1.00 0.00 H new ATOM 0 HD21 ASN A 67 89.930 -4.713 -15.738 1.00 0.00 H new ATOM 0 HD22 ASN A 67 89.124 -5.271 -14.269 1.00 0.00 H new ATOM 1005 N PRO A 68 92.221 -5.487 -10.847 1.00 0.00 N ATOM 1006 CA PRO A 68 92.063 -5.093 -9.426 1.00 0.00 C ATOM 1007 C PRO A 68 90.581 -4.962 -9.064 1.00 0.00 C ATOM 1008 O PRO A 68 90.227 -4.794 -7.913 1.00 0.00 O ATOM 1009 CB PRO A 68 92.763 -3.739 -9.352 1.00 0.00 C ATOM 1010 CG PRO A 68 92.707 -3.193 -10.745 1.00 0.00 C ATOM 1011 CD PRO A 68 92.666 -4.371 -11.687 1.00 0.00 C ATOM 0 HA PRO A 68 92.479 -5.823 -8.731 1.00 0.00 H new ATOM 0 HB2 PRO A 68 92.262 -3.074 -8.648 1.00 0.00 H new ATOM 0 HB3 PRO A 68 93.793 -3.846 -9.012 1.00 0.00 H new ATOM 0 HG2 PRO A 68 91.826 -2.565 -10.876 1.00 0.00 H new ATOM 0 HG3 PRO A 68 93.577 -2.568 -10.948 1.00 0.00 H new ATOM 0 HD2 PRO A 68 91.978 -4.196 -12.514 1.00 0.00 H new ATOM 0 HD3 PRO A 68 93.646 -4.567 -12.123 1.00 0.00 H new ATOM 1019 N TYR A 69 89.712 -5.037 -10.034 1.00 0.00 N ATOM 1020 CA TYR A 69 88.256 -4.914 -9.740 1.00 0.00 C ATOM 1021 C TYR A 69 87.562 -6.266 -9.926 1.00 0.00 C ATOM 1022 O TYR A 69 86.620 -6.391 -10.682 1.00 0.00 O ATOM 1023 CB TYR A 69 87.730 -3.896 -10.752 1.00 0.00 C ATOM 1024 CG TYR A 69 87.696 -2.510 -10.118 1.00 0.00 C ATOM 1025 CD1 TYR A 69 88.524 -2.217 -9.027 1.00 0.00 C ATOM 1026 CD2 TYR A 69 86.836 -1.529 -10.627 1.00 0.00 C ATOM 1027 CE1 TYR A 69 88.493 -0.942 -8.447 1.00 0.00 C ATOM 1028 CE2 TYR A 69 86.805 -0.255 -10.048 1.00 0.00 C ATOM 1029 CZ TYR A 69 87.633 0.038 -8.957 1.00 0.00 C ATOM 1030 OH TYR A 69 87.602 1.294 -8.385 1.00 0.00 O ATOM 0 H TYR A 69 89.947 -5.178 -11.017 1.00 0.00 H new ATOM 0 HA TYR A 69 88.068 -4.600 -8.713 1.00 0.00 H new ATOM 0 HB2 TYR A 69 88.367 -3.886 -11.637 1.00 0.00 H new ATOM 0 HB3 TYR A 69 86.731 -4.180 -11.082 1.00 0.00 H new ATOM 0 HD1 TYR A 69 89.186 -2.974 -8.633 1.00 0.00 H new ATOM 0 HD2 TYR A 69 86.196 -1.756 -11.467 1.00 0.00 H new ATOM 0 HE1 TYR A 69 89.132 -0.715 -7.607 1.00 0.00 H new ATOM 0 HE2 TYR A 69 86.143 0.502 -10.442 1.00 0.00 H new ATOM 0 HH TYR A 69 86.952 1.854 -8.860 1.00 0.00 H new ATOM 1040 N THR A 70 88.020 -7.277 -9.236 1.00 0.00 N ATOM 1041 CA THR A 70 87.395 -8.622 -9.361 1.00 0.00 C ATOM 1042 C THR A 70 88.210 -9.651 -8.575 1.00 0.00 C ATOM 1043 O THR A 70 87.686 -10.630 -8.083 1.00 0.00 O ATOM 1044 CB THR A 70 87.424 -8.948 -10.855 1.00 0.00 C ATOM 1045 OG1 THR A 70 87.108 -10.321 -11.044 1.00 0.00 O ATOM 1046 CG2 THR A 70 88.819 -8.663 -11.411 1.00 0.00 C ATOM 0 H THR A 70 88.806 -7.226 -8.587 1.00 0.00 H new ATOM 0 HA THR A 70 86.380 -8.641 -8.965 1.00 0.00 H new ATOM 0 HB THR A 70 86.693 -8.331 -11.378 1.00 0.00 H new ATOM 0 HG1 THR A 70 87.125 -10.532 -12.001 1.00 0.00 H new ATOM 0 HG21 THR A 70 88.841 -8.895 -12.476 1.00 0.00 H new ATOM 0 HG22 THR A 70 89.061 -7.610 -11.264 1.00 0.00 H new ATOM 0 HG23 THR A 70 89.551 -9.280 -10.890 1.00 0.00 H new ATOM 1054 N ASN A 71 89.491 -9.434 -8.453 1.00 0.00 N ATOM 1055 CA ASN A 71 90.341 -10.398 -7.696 1.00 0.00 C ATOM 1056 C ASN A 71 89.762 -10.620 -6.297 1.00 0.00 C ATOM 1057 O ASN A 71 89.691 -9.712 -5.492 1.00 0.00 O ATOM 1058 CB ASN A 71 91.715 -9.733 -7.612 1.00 0.00 C ATOM 1059 CG ASN A 71 92.550 -10.415 -6.526 1.00 0.00 C ATOM 1060 OD1 ASN A 71 93.181 -9.755 -5.725 1.00 0.00 O ATOM 1061 ND2 ASN A 71 92.578 -11.717 -6.465 1.00 0.00 N ATOM 0 H ASN A 71 89.986 -8.632 -8.844 1.00 0.00 H new ATOM 0 HA ASN A 71 90.393 -11.375 -8.178 1.00 0.00 H new ATOM 0 HB2 ASN A 71 92.224 -9.803 -8.574 1.00 0.00 H new ATOM 0 HB3 ASN A 71 91.604 -8.672 -7.387 1.00 0.00 H new ATOM 0 HD21 ASN A 71 93.130 -12.182 -5.744 1.00 0.00 H new ATOM 0 HD22 ASN A 71 92.048 -12.271 -7.138 1.00 0.00 H new ATOM 1068 N ASN A 72 89.346 -11.820 -6.001 1.00 0.00 N ATOM 1069 CA ASN A 72 88.771 -12.098 -4.654 1.00 0.00 C ATOM 1070 C ASN A 72 89.700 -13.023 -3.863 1.00 0.00 C ATOM 1071 O ASN A 72 89.515 -14.223 -3.830 1.00 0.00 O ATOM 1072 CB ASN A 72 87.432 -12.783 -4.932 1.00 0.00 C ATOM 1073 CG ASN A 72 86.507 -11.814 -5.669 1.00 0.00 C ATOM 1074 OD1 ASN A 72 86.277 -10.711 -5.213 1.00 0.00 O ATOM 1075 ND2 ASN A 72 85.963 -12.178 -6.797 1.00 0.00 N ATOM 0 H ASN A 72 89.379 -12.620 -6.633 1.00 0.00 H new ATOM 0 HA ASN A 72 88.649 -11.193 -4.059 1.00 0.00 H new ATOM 0 HB2 ASN A 72 87.588 -13.680 -5.531 1.00 0.00 H new ATOM 0 HB3 ASN A 72 86.972 -13.100 -3.996 1.00 0.00 H new ATOM 0 HD21 ASN A 72 85.345 -11.537 -7.295 1.00 0.00 H new ATOM 0 HD22 ASN A 72 86.155 -13.103 -7.181 1.00 0.00 H new ATOM 1082 N TYR A 73 90.702 -12.474 -3.227 1.00 0.00 N ATOM 1083 CA TYR A 73 91.641 -13.325 -2.442 1.00 0.00 C ATOM 1084 C TYR A 73 90.956 -13.852 -1.180 1.00 0.00 C ATOM 1085 O TYR A 73 89.957 -13.320 -0.735 1.00 0.00 O ATOM 1086 CB TYR A 73 92.807 -12.404 -2.074 1.00 0.00 C ATOM 1087 CG TYR A 73 92.278 -11.145 -1.427 1.00 0.00 C ATOM 1088 CD1 TYR A 73 91.701 -11.201 -0.152 1.00 0.00 C ATOM 1089 CD2 TYR A 73 92.369 -9.921 -2.101 1.00 0.00 C ATOM 1090 CE1 TYR A 73 91.215 -10.033 0.448 1.00 0.00 C ATOM 1091 CE2 TYR A 73 91.883 -8.753 -1.500 1.00 0.00 C ATOM 1092 CZ TYR A 73 91.306 -8.809 -0.225 1.00 0.00 C ATOM 1093 OH TYR A 73 90.827 -7.657 0.367 1.00 0.00 O ATOM 0 H TYR A 73 90.909 -11.475 -3.218 1.00 0.00 H new ATOM 0 HA TYR A 73 91.973 -14.195 -3.008 1.00 0.00 H new ATOM 0 HB2 TYR A 73 93.487 -12.916 -1.393 1.00 0.00 H new ATOM 0 HB3 TYR A 73 93.380 -12.152 -2.967 1.00 0.00 H new ATOM 0 HD1 TYR A 73 91.631 -12.145 0.368 1.00 0.00 H new ATOM 0 HD2 TYR A 73 92.814 -9.878 -3.084 1.00 0.00 H new ATOM 0 HE1 TYR A 73 90.770 -10.076 1.431 1.00 0.00 H new ATOM 0 HE2 TYR A 73 91.953 -7.809 -2.020 1.00 0.00 H new ATOM 0 HH TYR A 73 89.915 -7.811 0.691 1.00 0.00 H new ATOM 1103 N SER A 74 91.485 -14.894 -0.603 1.00 0.00 N ATOM 1104 CA SER A 74 90.868 -15.458 0.630 1.00 0.00 C ATOM 1105 C SER A 74 91.584 -14.919 1.871 1.00 0.00 C ATOM 1106 O SER A 74 92.743 -15.204 2.104 1.00 0.00 O ATOM 1107 CB SER A 74 91.061 -16.969 0.513 1.00 0.00 C ATOM 1108 OG SER A 74 90.397 -17.612 1.593 1.00 0.00 O ATOM 0 H SER A 74 92.319 -15.380 -0.932 1.00 0.00 H new ATOM 0 HA SER A 74 89.816 -15.189 0.728 1.00 0.00 H new ATOM 0 HB2 SER A 74 90.664 -17.326 -0.437 1.00 0.00 H new ATOM 0 HB3 SER A 74 92.123 -17.214 0.526 1.00 0.00 H new ATOM 0 HG SER A 74 90.517 -18.582 1.520 1.00 0.00 H new ATOM 1114 N TYR A 75 90.905 -14.143 2.668 1.00 0.00 N ATOM 1115 CA TYR A 75 91.548 -13.586 3.893 1.00 0.00 C ATOM 1116 C TYR A 75 90.741 -13.968 5.135 1.00 0.00 C ATOM 1117 O TYR A 75 89.848 -14.790 5.080 1.00 0.00 O ATOM 1118 CB TYR A 75 91.537 -12.070 3.694 1.00 0.00 C ATOM 1119 CG TYR A 75 90.115 -11.549 3.853 1.00 0.00 C ATOM 1120 CD1 TYR A 75 89.239 -11.560 2.760 1.00 0.00 C ATOM 1121 CD2 TYR A 75 89.683 -11.060 5.091 1.00 0.00 C ATOM 1122 CE1 TYR A 75 87.932 -11.084 2.907 1.00 0.00 C ATOM 1123 CE2 TYR A 75 88.375 -10.583 5.238 1.00 0.00 C ATOM 1124 CZ TYR A 75 87.499 -10.594 4.146 1.00 0.00 C ATOM 1125 OH TYR A 75 86.209 -10.125 4.290 1.00 0.00 O ATOM 0 H TYR A 75 89.933 -13.870 2.525 1.00 0.00 H new ATOM 0 HA TYR A 75 92.557 -13.971 4.039 1.00 0.00 H new ATOM 0 HB2 TYR A 75 92.194 -11.592 4.420 1.00 0.00 H new ATOM 0 HB3 TYR A 75 91.919 -11.819 2.705 1.00 0.00 H new ATOM 0 HD1 TYR A 75 89.573 -11.936 1.804 1.00 0.00 H new ATOM 0 HD2 TYR A 75 90.359 -11.051 5.933 1.00 0.00 H new ATOM 0 HE1 TYR A 75 87.256 -11.094 2.065 1.00 0.00 H new ATOM 0 HE2 TYR A 75 88.042 -10.207 6.194 1.00 0.00 H new ATOM 0 HH TYR A 75 86.072 -9.823 5.212 1.00 0.00 H new ATOM 1135 N SER A 76 91.050 -13.375 6.253 1.00 0.00 N ATOM 1136 CA SER A 76 90.304 -13.700 7.501 1.00 0.00 C ATOM 1137 C SER A 76 90.506 -12.592 8.536 1.00 0.00 C ATOM 1138 O SER A 76 91.394 -11.776 8.414 1.00 0.00 O ATOM 1139 CB SER A 76 90.913 -15.012 7.995 1.00 0.00 C ATOM 1140 OG SER A 76 89.869 -15.893 8.390 1.00 0.00 O ATOM 0 H SER A 76 91.788 -12.678 6.357 1.00 0.00 H new ATOM 0 HA SER A 76 89.231 -13.788 7.332 1.00 0.00 H new ATOM 0 HB2 SER A 76 91.511 -15.469 7.207 1.00 0.00 H new ATOM 0 HB3 SER A 76 91.582 -14.823 8.834 1.00 0.00 H new ATOM 0 HG SER A 76 90.255 -16.737 8.706 1.00 0.00 H new ATOM 1146 N CYS A 77 89.694 -12.558 9.554 1.00 0.00 N ATOM 1147 CA CYS A 77 89.855 -11.501 10.593 1.00 0.00 C ATOM 1148 C CYS A 77 90.047 -12.143 11.961 1.00 0.00 C ATOM 1149 O CYS A 77 89.809 -13.319 12.152 1.00 0.00 O ATOM 1150 CB CYS A 77 88.560 -10.692 10.553 1.00 0.00 C ATOM 1151 SG CYS A 77 88.476 -9.558 11.963 1.00 0.00 S ATOM 0 H CYS A 77 88.928 -13.213 9.713 1.00 0.00 H new ATOM 0 HA CYS A 77 90.725 -10.871 10.410 1.00 0.00 H new ATOM 0 HB2 CYS A 77 88.505 -10.128 9.622 1.00 0.00 H new ATOM 0 HB3 CYS A 77 87.703 -11.365 10.569 1.00 0.00 H new ATOM 1156 N SER A 78 90.478 -11.373 12.909 1.00 0.00 N ATOM 1157 CA SER A 78 90.697 -11.919 14.281 1.00 0.00 C ATOM 1158 C SER A 78 91.458 -10.910 15.144 1.00 0.00 C ATOM 1159 O SER A 78 92.299 -10.178 14.661 1.00 0.00 O ATOM 1160 CB SER A 78 91.535 -13.185 14.082 1.00 0.00 C ATOM 1161 OG SER A 78 92.465 -12.971 13.028 1.00 0.00 O ATOM 0 H SER A 78 90.691 -10.382 12.799 1.00 0.00 H new ATOM 0 HA SER A 78 89.756 -12.127 14.790 1.00 0.00 H new ATOM 0 HB2 SER A 78 92.062 -13.435 15.003 1.00 0.00 H new ATOM 0 HB3 SER A 78 90.888 -14.030 13.846 1.00 0.00 H new ATOM 0 HG SER A 78 93.004 -13.779 12.899 1.00 0.00 H new ATOM 1167 N ASN A 79 91.168 -10.870 16.417 1.00 0.00 N ATOM 1168 CA ASN A 79 91.871 -9.914 17.323 1.00 0.00 C ATOM 1169 C ASN A 79 92.071 -8.567 16.624 1.00 0.00 C ATOM 1170 O ASN A 79 93.165 -8.042 16.564 1.00 0.00 O ATOM 1171 CB ASN A 79 93.217 -10.569 17.627 1.00 0.00 C ATOM 1172 CG ASN A 79 92.984 -11.988 18.150 1.00 0.00 C ATOM 1173 OD1 ASN A 79 92.277 -12.182 19.118 1.00 0.00 O ATOM 1174 ND2 ASN A 79 93.551 -12.995 17.544 1.00 0.00 N ATOM 0 H ASN A 79 90.471 -11.461 16.871 1.00 0.00 H new ATOM 0 HA ASN A 79 91.302 -9.715 18.231 1.00 0.00 H new ATOM 0 HB2 ASN A 79 93.832 -10.597 16.727 1.00 0.00 H new ATOM 0 HB3 ASN A 79 93.761 -9.982 18.367 1.00 0.00 H new ATOM 0 HD21 ASN A 79 93.400 -13.945 17.883 1.00 0.00 H new ATOM 0 HD22 ASN A 79 94.145 -12.832 16.731 1.00 0.00 H new ATOM 1181 N ASN A 80 91.019 -8.007 16.098 1.00 0.00 N ATOM 1182 CA ASN A 80 91.128 -6.705 15.406 1.00 0.00 C ATOM 1183 C ASN A 80 92.331 -6.719 14.476 1.00 0.00 C ATOM 1184 O ASN A 80 93.058 -5.753 14.348 1.00 0.00 O ATOM 1185 CB ASN A 80 91.291 -5.672 16.513 1.00 0.00 C ATOM 1186 CG ASN A 80 90.367 -5.990 17.659 1.00 0.00 C ATOM 1187 OD1 ASN A 80 89.296 -6.656 17.419 1.00 0.00 O flip ATOM 1188 ND2 ASN A 80 90.622 -5.628 18.790 1.00 0.00 N flip ATOM 0 H ASN A 80 90.080 -8.405 16.121 1.00 0.00 H new ATOM 0 HA ASN A 80 90.257 -6.482 14.790 1.00 0.00 H new ATOM 0 HB2 ASN A 80 92.324 -5.661 16.861 1.00 0.00 H new ATOM 0 HB3 ASN A 80 91.074 -4.676 16.126 1.00 0.00 H new ATOM 0 HD21 ASN A 80 91.474 -5.099 18.976 1.00 0.00 H new ATOM 0 HD22 ASN A 80 89.984 -5.853 19.554 1.00 0.00 H new ATOM 1195 N GLU A 81 92.531 -7.820 13.823 1.00 0.00 N ATOM 1196 CA GLU A 81 93.668 -7.939 12.884 1.00 0.00 C ATOM 1197 C GLU A 81 93.229 -8.635 11.601 1.00 0.00 C ATOM 1198 O GLU A 81 92.358 -9.479 11.601 1.00 0.00 O ATOM 1199 CB GLU A 81 94.718 -8.765 13.616 1.00 0.00 C ATOM 1200 CG GLU A 81 95.389 -7.884 14.661 1.00 0.00 C ATOM 1201 CD GLU A 81 96.907 -8.031 14.564 1.00 0.00 C ATOM 1202 OE1 GLU A 81 97.484 -7.445 13.662 1.00 0.00 O ATOM 1203 OE2 GLU A 81 97.469 -8.725 15.396 1.00 0.00 O ATOM 0 H GLU A 81 91.948 -8.653 13.901 1.00 0.00 H new ATOM 0 HA GLU A 81 94.058 -6.964 12.594 1.00 0.00 H new ATOM 0 HB2 GLU A 81 94.255 -9.630 14.091 1.00 0.00 H new ATOM 0 HB3 GLU A 81 95.457 -9.146 12.912 1.00 0.00 H new ATOM 0 HG2 GLU A 81 95.105 -6.843 14.509 1.00 0.00 H new ATOM 0 HG3 GLU A 81 95.050 -8.165 15.658 1.00 0.00 H new ATOM 1210 N ILE A 82 93.831 -8.279 10.508 1.00 0.00 N ATOM 1211 CA ILE A 82 93.450 -8.906 9.210 1.00 0.00 C ATOM 1212 C ILE A 82 94.345 -10.110 8.909 1.00 0.00 C ATOM 1213 O ILE A 82 95.539 -10.088 9.139 1.00 0.00 O ATOM 1214 CB ILE A 82 93.648 -7.806 8.169 1.00 0.00 C ATOM 1215 CG1 ILE A 82 92.692 -6.648 8.469 1.00 0.00 C ATOM 1216 CG2 ILE A 82 93.352 -8.363 6.775 1.00 0.00 C ATOM 1217 CD1 ILE A 82 93.274 -5.347 7.913 1.00 0.00 C ATOM 0 H ILE A 82 94.572 -7.580 10.452 1.00 0.00 H new ATOM 0 HA ILE A 82 92.426 -9.279 9.218 1.00 0.00 H new ATOM 0 HB ILE A 82 94.677 -7.450 8.206 1.00 0.00 H new ATOM 0 HG12 ILE A 82 91.717 -6.843 8.022 1.00 0.00 H new ATOM 0 HG13 ILE A 82 92.538 -6.559 9.544 1.00 0.00 H new ATOM 0 HG21 ILE A 82 93.493 -7.578 6.032 1.00 0.00 H new ATOM 0 HG22 ILE A 82 94.029 -9.190 6.562 1.00 0.00 H new ATOM 0 HG23 ILE A 82 92.322 -8.718 6.736 1.00 0.00 H new ATOM 0 HD11 ILE A 82 92.593 -4.523 8.127 1.00 0.00 H new ATOM 0 HD12 ILE A 82 94.239 -5.151 8.381 1.00 0.00 H new ATOM 0 HD13 ILE A 82 93.405 -5.439 6.835 1.00 0.00 H new ATOM 1229 N THR A 83 93.768 -11.164 8.401 1.00 0.00 N ATOM 1230 CA THR A 83 94.565 -12.382 8.084 1.00 0.00 C ATOM 1231 C THR A 83 94.452 -12.709 6.590 1.00 0.00 C ATOM 1232 O THR A 83 93.451 -12.431 5.957 1.00 0.00 O ATOM 1233 CB THR A 83 93.933 -13.486 8.946 1.00 0.00 C ATOM 1234 OG1 THR A 83 94.573 -13.513 10.214 1.00 0.00 O ATOM 1235 CG2 THR A 83 94.089 -14.853 8.270 1.00 0.00 C ATOM 0 H THR A 83 92.772 -11.234 8.191 1.00 0.00 H new ATOM 0 HA THR A 83 95.628 -12.263 8.293 1.00 0.00 H new ATOM 0 HB THR A 83 92.871 -13.274 9.067 1.00 0.00 H new ATOM 0 HG1 THR A 83 94.172 -14.215 10.768 1.00 0.00 H new ATOM 0 HG21 THR A 83 93.635 -15.622 8.895 1.00 0.00 H new ATOM 0 HG22 THR A 83 93.595 -14.837 7.299 1.00 0.00 H new ATOM 0 HG23 THR A 83 95.148 -15.073 8.135 1.00 0.00 H new ATOM 1243 N CYS A 84 95.467 -13.303 6.026 1.00 0.00 N ATOM 1244 CA CYS A 84 95.418 -13.656 4.579 1.00 0.00 C ATOM 1245 C CYS A 84 95.971 -15.068 4.371 1.00 0.00 C ATOM 1246 O CYS A 84 96.962 -15.450 4.962 1.00 0.00 O ATOM 1247 CB CYS A 84 96.305 -12.622 3.882 1.00 0.00 C ATOM 1248 SG CYS A 84 95.404 -11.889 2.493 1.00 0.00 S ATOM 0 H CYS A 84 96.330 -13.560 6.506 1.00 0.00 H new ATOM 0 HA CYS A 84 94.402 -13.646 4.183 1.00 0.00 H new ATOM 0 HB2 CYS A 84 96.600 -11.846 4.588 1.00 0.00 H new ATOM 0 HB3 CYS A 84 97.221 -13.094 3.526 1.00 0.00 H new ATOM 1253 N SER A 85 95.337 -15.848 3.541 1.00 0.00 N ATOM 1254 CA SER A 85 95.828 -17.236 3.302 1.00 0.00 C ATOM 1255 C SER A 85 97.280 -17.209 2.819 1.00 0.00 C ATOM 1256 O SER A 85 97.798 -16.176 2.442 1.00 0.00 O ATOM 1257 CB SER A 85 94.914 -17.799 2.215 1.00 0.00 C ATOM 1258 OG SER A 85 93.674 -18.178 2.796 1.00 0.00 O ATOM 0 H SER A 85 94.501 -15.586 3.018 1.00 0.00 H new ATOM 0 HA SER A 85 95.806 -17.842 4.208 1.00 0.00 H new ATOM 0 HB2 SER A 85 94.752 -17.053 1.437 1.00 0.00 H new ATOM 0 HB3 SER A 85 95.384 -18.659 1.738 1.00 0.00 H new ATOM 0 HG SER A 85 93.057 -17.417 2.776 1.00 0.00 H new ATOM 1264 N SER A 86 97.940 -18.335 2.823 1.00 0.00 N ATOM 1265 CA SER A 86 99.358 -18.365 2.361 1.00 0.00 C ATOM 1266 C SER A 86 99.413 -18.566 0.845 1.00 0.00 C ATOM 1267 O SER A 86 100.387 -18.232 0.201 1.00 0.00 O ATOM 1268 CB SER A 86 99.988 -19.557 3.082 1.00 0.00 C ATOM 1269 OG SER A 86 99.180 -20.710 2.878 1.00 0.00 O ATOM 0 H SER A 86 97.561 -19.233 3.125 1.00 0.00 H new ATOM 0 HA SER A 86 99.883 -17.435 2.580 1.00 0.00 H new ATOM 0 HB2 SER A 86 100.996 -19.734 2.705 1.00 0.00 H new ATOM 0 HB3 SER A 86 100.078 -19.346 4.148 1.00 0.00 H new ATOM 0 HG SER A 86 99.582 -21.477 3.338 1.00 0.00 H new ATOM 1275 N GLU A 87 98.376 -19.108 0.270 1.00 0.00 N ATOM 1276 CA GLU A 87 98.373 -19.327 -1.206 1.00 0.00 C ATOM 1277 C GLU A 87 98.577 -17.998 -1.935 1.00 0.00 C ATOM 1278 O GLU A 87 99.010 -17.962 -3.070 1.00 0.00 O ATOM 1279 CB GLU A 87 96.992 -19.899 -1.520 1.00 0.00 C ATOM 1280 CG GLU A 87 97.029 -21.423 -1.400 1.00 0.00 C ATOM 1281 CD GLU A 87 95.605 -21.977 -1.494 1.00 0.00 C ATOM 1282 OE1 GLU A 87 94.744 -21.462 -0.800 1.00 0.00 O ATOM 1283 OE2 GLU A 87 95.402 -22.906 -2.257 1.00 0.00 O ATOM 0 H GLU A 87 97.531 -19.409 0.756 1.00 0.00 H new ATOM 0 HA GLU A 87 99.173 -19.994 -1.526 1.00 0.00 H new ATOM 0 HB2 GLU A 87 96.252 -19.488 -0.833 1.00 0.00 H new ATOM 0 HB3 GLU A 87 96.688 -19.611 -2.526 1.00 0.00 H new ATOM 0 HG2 GLU A 87 97.648 -21.846 -2.191 1.00 0.00 H new ATOM 0 HG3 GLU A 87 97.482 -21.713 -0.452 1.00 0.00 H new ATOM 1290 N ASN A 88 98.262 -16.909 -1.293 1.00 0.00 N ATOM 1291 CA ASN A 88 98.429 -15.582 -1.945 1.00 0.00 C ATOM 1292 C ASN A 88 99.787 -15.500 -2.649 1.00 0.00 C ATOM 1293 O ASN A 88 100.805 -15.267 -2.028 1.00 0.00 O ATOM 1294 CB ASN A 88 98.354 -14.569 -0.802 1.00 0.00 C ATOM 1295 CG ASN A 88 97.071 -14.796 -0.001 1.00 0.00 C ATOM 1296 OD1 ASN A 88 96.759 -15.913 0.367 1.00 0.00 O ATOM 1297 ND2 ASN A 88 96.308 -13.778 0.288 1.00 0.00 N ATOM 0 H ASN A 88 97.895 -16.881 -0.342 1.00 0.00 H new ATOM 0 HA ASN A 88 97.670 -15.398 -2.705 1.00 0.00 H new ATOM 0 HB2 ASN A 88 99.223 -14.672 -0.153 1.00 0.00 H new ATOM 0 HB3 ASN A 88 98.372 -13.554 -1.200 1.00 0.00 H new ATOM 0 HD21 ASN A 88 95.451 -13.919 0.822 1.00 0.00 H new ATOM 0 HD22 ASN A 88 96.569 -12.841 -0.020 1.00 0.00 H new ATOM 1304 N ASN A 89 99.808 -15.686 -3.940 1.00 0.00 N ATOM 1305 CA ASN A 89 101.100 -15.614 -4.681 1.00 0.00 C ATOM 1306 C ASN A 89 101.515 -14.153 -4.874 1.00 0.00 C ATOM 1307 O ASN A 89 100.929 -13.251 -4.309 1.00 0.00 O ATOM 1308 CB ASN A 89 100.823 -16.275 -6.032 1.00 0.00 C ATOM 1309 CG ASN A 89 99.662 -15.557 -6.723 1.00 0.00 C ATOM 1310 OD1 ASN A 89 98.894 -14.863 -6.086 1.00 0.00 O ATOM 1311 ND2 ASN A 89 99.502 -15.693 -8.011 1.00 0.00 N ATOM 0 H ASN A 89 98.988 -15.884 -4.514 1.00 0.00 H new ATOM 0 HA ASN A 89 101.911 -16.109 -4.146 1.00 0.00 H new ATOM 0 HB2 ASN A 89 101.714 -16.234 -6.658 1.00 0.00 H new ATOM 0 HB3 ASN A 89 100.581 -17.328 -5.891 1.00 0.00 H new ATOM 0 HD21 ASN A 89 98.733 -15.217 -8.482 1.00 0.00 H new ATOM 0 HD22 ASN A 89 100.146 -16.275 -8.546 1.00 0.00 H new ATOM 1318 N ALA A 90 102.523 -13.915 -5.667 1.00 0.00 N ATOM 1319 CA ALA A 90 102.982 -12.516 -5.897 1.00 0.00 C ATOM 1320 C ALA A 90 101.790 -11.596 -6.184 1.00 0.00 C ATOM 1321 O ALA A 90 101.770 -10.449 -5.782 1.00 0.00 O ATOM 1322 CB ALA A 90 103.896 -12.598 -7.118 1.00 0.00 C ATOM 0 H ALA A 90 103.050 -14.631 -6.167 1.00 0.00 H new ATOM 0 HA ALA A 90 103.492 -12.105 -5.026 1.00 0.00 H new ATOM 0 HB1 ALA A 90 104.277 -11.605 -7.354 1.00 0.00 H new ATOM 0 HB2 ALA A 90 104.730 -13.266 -6.904 1.00 0.00 H new ATOM 0 HB3 ALA A 90 103.333 -12.982 -7.969 1.00 0.00 H new ATOM 1328 N CYS A 91 100.802 -12.085 -6.884 1.00 0.00 N ATOM 1329 CA CYS A 91 99.620 -11.233 -7.204 1.00 0.00 C ATOM 1330 C CYS A 91 98.623 -11.231 -6.041 1.00 0.00 C ATOM 1331 O CYS A 91 98.328 -10.201 -5.468 1.00 0.00 O ATOM 1332 CB CYS A 91 98.995 -11.874 -8.443 1.00 0.00 C ATOM 1333 SG CYS A 91 98.645 -10.592 -9.674 1.00 0.00 S ATOM 0 H CYS A 91 100.762 -13.037 -7.248 1.00 0.00 H new ATOM 0 HA CYS A 91 99.901 -10.194 -7.375 1.00 0.00 H new ATOM 0 HB2 CYS A 91 99.672 -12.619 -8.861 1.00 0.00 H new ATOM 0 HB3 CYS A 91 98.076 -12.394 -8.172 1.00 0.00 H new ATOM 1338 N GLU A 92 98.098 -12.373 -5.689 1.00 0.00 N ATOM 1339 CA GLU A 92 97.120 -12.429 -4.565 1.00 0.00 C ATOM 1340 C GLU A 92 97.744 -11.834 -3.300 1.00 0.00 C ATOM 1341 O GLU A 92 97.065 -11.272 -2.465 1.00 0.00 O ATOM 1342 CB GLU A 92 96.822 -13.915 -4.365 1.00 0.00 C ATOM 1343 CG GLU A 92 95.934 -14.418 -5.503 1.00 0.00 C ATOM 1344 CD GLU A 92 94.530 -14.707 -4.969 1.00 0.00 C ATOM 1345 OE1 GLU A 92 94.271 -14.371 -3.824 1.00 0.00 O ATOM 1346 OE2 GLU A 92 93.736 -15.260 -5.713 1.00 0.00 O ATOM 0 H GLU A 92 98.304 -13.269 -6.131 1.00 0.00 H new ATOM 0 HA GLU A 92 96.215 -11.860 -4.777 1.00 0.00 H new ATOM 0 HB2 GLU A 92 97.752 -14.482 -4.338 1.00 0.00 H new ATOM 0 HB3 GLU A 92 96.326 -14.071 -3.407 1.00 0.00 H new ATOM 0 HG2 GLU A 92 95.886 -13.673 -6.297 1.00 0.00 H new ATOM 0 HG3 GLU A 92 96.361 -15.321 -5.939 1.00 0.00 H new ATOM 1353 N ALA A 93 99.034 -11.956 -3.155 1.00 0.00 N ATOM 1354 CA ALA A 93 99.704 -11.400 -1.946 1.00 0.00 C ATOM 1355 C ALA A 93 99.851 -9.881 -2.076 1.00 0.00 C ATOM 1356 O ALA A 93 99.602 -9.142 -1.145 1.00 0.00 O ATOM 1357 CB ALA A 93 101.077 -12.070 -1.907 1.00 0.00 C ATOM 0 H ALA A 93 99.654 -12.417 -3.821 1.00 0.00 H new ATOM 0 HA ALA A 93 99.135 -11.588 -1.036 1.00 0.00 H new ATOM 0 HB1 ALA A 93 101.633 -11.710 -1.041 1.00 0.00 H new ATOM 0 HB2 ALA A 93 100.953 -13.151 -1.835 1.00 0.00 H new ATOM 0 HB3 ALA A 93 101.626 -11.828 -2.817 1.00 0.00 H new ATOM 1363 N PHE A 94 100.251 -9.410 -3.226 1.00 0.00 N ATOM 1364 CA PHE A 94 100.410 -7.940 -3.413 1.00 0.00 C ATOM 1365 C PHE A 94 99.054 -7.246 -3.274 1.00 0.00 C ATOM 1366 O PHE A 94 98.962 -6.130 -2.799 1.00 0.00 O ATOM 1367 CB PHE A 94 100.954 -7.778 -4.833 1.00 0.00 C ATOM 1368 CG PHE A 94 101.459 -6.368 -5.024 1.00 0.00 C ATOM 1369 CD1 PHE A 94 100.570 -5.289 -4.948 1.00 0.00 C ATOM 1370 CD2 PHE A 94 102.817 -6.140 -5.278 1.00 0.00 C ATOM 1371 CE1 PHE A 94 101.040 -3.982 -5.128 1.00 0.00 C ATOM 1372 CE2 PHE A 94 103.286 -4.834 -5.457 1.00 0.00 C ATOM 1373 CZ PHE A 94 102.398 -3.754 -5.382 1.00 0.00 C ATOM 0 H PHE A 94 100.474 -9.979 -4.043 1.00 0.00 H new ATOM 0 HA PHE A 94 101.074 -7.496 -2.671 1.00 0.00 H new ATOM 0 HB2 PHE A 94 101.760 -8.491 -5.008 1.00 0.00 H new ATOM 0 HB3 PHE A 94 100.172 -7.997 -5.560 1.00 0.00 H new ATOM 0 HD1 PHE A 94 99.523 -5.464 -4.751 1.00 0.00 H new ATOM 0 HD2 PHE A 94 103.503 -6.972 -5.336 1.00 0.00 H new ATOM 0 HE1 PHE A 94 100.355 -3.149 -5.071 1.00 0.00 H new ATOM 0 HE2 PHE A 94 104.333 -4.659 -5.653 1.00 0.00 H new ATOM 0 HZ PHE A 94 102.760 -2.746 -5.520 1.00 0.00 H new ATOM 1383 N ILE A 95 97.999 -7.898 -3.678 1.00 0.00 N ATOM 1384 CA ILE A 95 96.650 -7.277 -3.563 1.00 0.00 C ATOM 1385 C ILE A 95 96.173 -7.339 -2.110 1.00 0.00 C ATOM 1386 O ILE A 95 95.539 -6.427 -1.615 1.00 0.00 O ATOM 1387 CB ILE A 95 95.747 -8.115 -4.466 1.00 0.00 C ATOM 1388 CG1 ILE A 95 96.290 -8.085 -5.897 1.00 0.00 C ATOM 1389 CG2 ILE A 95 94.329 -7.543 -4.445 1.00 0.00 C ATOM 1390 CD1 ILE A 95 96.038 -6.706 -6.513 1.00 0.00 C ATOM 0 H ILE A 95 98.013 -8.834 -4.083 1.00 0.00 H new ATOM 0 HA ILE A 95 96.647 -6.227 -3.856 1.00 0.00 H new ATOM 0 HB ILE A 95 95.727 -9.144 -4.106 1.00 0.00 H new ATOM 0 HG12 ILE A 95 97.358 -8.305 -5.896 1.00 0.00 H new ATOM 0 HG13 ILE A 95 95.806 -8.856 -6.497 1.00 0.00 H new ATOM 0 HG21 ILE A 95 93.686 -8.142 -5.090 1.00 0.00 H new ATOM 0 HG22 ILE A 95 93.943 -7.565 -3.426 1.00 0.00 H new ATOM 0 HG23 ILE A 95 94.346 -6.514 -4.804 1.00 0.00 H new ATOM 0 HD11 ILE A 95 96.425 -6.686 -7.532 1.00 0.00 H new ATOM 0 HD12 ILE A 95 94.967 -6.504 -6.528 1.00 0.00 H new ATOM 0 HD13 ILE A 95 96.542 -5.944 -5.918 1.00 0.00 H new ATOM 1402 N CYS A 96 96.480 -8.404 -1.420 1.00 0.00 N ATOM 1403 CA CYS A 96 96.052 -8.515 0.005 1.00 0.00 C ATOM 1404 C CYS A 96 96.796 -7.477 0.846 1.00 0.00 C ATOM 1405 O CYS A 96 96.385 -7.135 1.938 1.00 0.00 O ATOM 1406 CB CYS A 96 96.440 -9.933 0.429 1.00 0.00 C ATOM 1407 SG CYS A 96 96.283 -10.089 2.228 1.00 0.00 S ATOM 0 H CYS A 96 97.007 -9.200 -1.779 1.00 0.00 H new ATOM 0 HA CYS A 96 94.985 -8.335 0.138 1.00 0.00 H new ATOM 0 HB2 CYS A 96 95.798 -10.661 -0.067 1.00 0.00 H new ATOM 0 HB3 CYS A 96 97.463 -10.149 0.122 1.00 0.00 H new ATOM 1412 N ASN A 97 97.888 -6.967 0.341 1.00 0.00 N ATOM 1413 CA ASN A 97 98.658 -5.944 1.105 1.00 0.00 C ATOM 1414 C ASN A 97 98.081 -4.551 0.842 1.00 0.00 C ATOM 1415 O ASN A 97 98.019 -3.716 1.722 1.00 0.00 O ATOM 1416 CB ASN A 97 100.086 -6.042 0.568 1.00 0.00 C ATOM 1417 CG ASN A 97 100.690 -7.388 0.955 1.00 0.00 C ATOM 1418 OD1 ASN A 97 100.078 -8.168 1.658 1.00 0.00 O ATOM 1419 ND2 ASN A 97 101.880 -7.694 0.521 1.00 0.00 N ATOM 0 H ASN A 97 98.280 -7.215 -0.568 1.00 0.00 H new ATOM 0 HA ASN A 97 98.616 -6.110 2.181 1.00 0.00 H new ATOM 0 HB2 ASN A 97 100.085 -5.931 -0.516 1.00 0.00 H new ATOM 0 HB3 ASN A 97 100.693 -5.231 0.971 1.00 0.00 H new ATOM 0 HD21 ASN A 97 102.299 -8.589 0.771 1.00 0.00 H new ATOM 0 HD22 ASN A 97 102.392 -7.038 -0.069 1.00 0.00 H new ATOM 1426 N CYS A 98 97.653 -4.296 -0.365 1.00 0.00 N ATOM 1427 CA CYS A 98 97.077 -2.958 -0.686 1.00 0.00 C ATOM 1428 C CYS A 98 95.800 -2.730 0.126 1.00 0.00 C ATOM 1429 O CYS A 98 95.587 -1.671 0.682 1.00 0.00 O ATOM 1430 CB CYS A 98 96.754 -3.013 -2.180 1.00 0.00 C ATOM 1431 SG CYS A 98 98.243 -3.466 -3.104 1.00 0.00 S ATOM 0 H CYS A 98 97.677 -4.956 -1.142 1.00 0.00 H new ATOM 0 HA CYS A 98 97.761 -2.144 -0.446 1.00 0.00 H new ATOM 0 HB2 CYS A 98 95.963 -3.740 -2.365 1.00 0.00 H new ATOM 0 HB3 CYS A 98 96.383 -2.045 -2.519 1.00 0.00 H new ATOM 1436 N ASP A 99 94.954 -3.719 0.201 1.00 0.00 N ATOM 1437 CA ASP A 99 93.692 -3.563 0.978 1.00 0.00 C ATOM 1438 C ASP A 99 94.001 -3.485 2.476 1.00 0.00 C ATOM 1439 O ASP A 99 93.436 -2.686 3.196 1.00 0.00 O ATOM 1440 CB ASP A 99 92.876 -4.817 0.664 1.00 0.00 C ATOM 1441 CG ASP A 99 92.227 -4.674 -0.715 1.00 0.00 C ATOM 1442 OD1 ASP A 99 91.597 -3.657 -0.948 1.00 0.00 O ATOM 1443 OD2 ASP A 99 92.372 -5.586 -1.513 1.00 0.00 O ATOM 0 H ASP A 99 95.081 -4.629 -0.242 1.00 0.00 H new ATOM 0 HA ASP A 99 93.155 -2.651 0.716 1.00 0.00 H new ATOM 0 HB2 ASP A 99 93.519 -5.697 0.685 1.00 0.00 H new ATOM 0 HB3 ASP A 99 92.109 -4.964 1.425 1.00 0.00 H new ATOM 1448 N ARG A 100 94.897 -4.309 2.948 1.00 0.00 N ATOM 1449 CA ARG A 100 95.245 -4.282 4.398 1.00 0.00 C ATOM 1450 C ARG A 100 95.963 -2.975 4.742 1.00 0.00 C ATOM 1451 O ARG A 100 95.696 -2.355 5.752 1.00 0.00 O ATOM 1452 CB ARG A 100 96.175 -5.477 4.603 1.00 0.00 C ATOM 1453 CG ARG A 100 96.214 -5.845 6.088 1.00 0.00 C ATOM 1454 CD ARG A 100 97.524 -6.574 6.399 1.00 0.00 C ATOM 1455 NE ARG A 100 97.126 -7.972 6.675 1.00 0.00 N ATOM 1456 CZ ARG A 100 97.987 -8.810 7.185 1.00 0.00 C ATOM 1457 NH1 ARG A 100 98.724 -8.452 8.200 1.00 0.00 N ATOM 1458 NH2 ARG A 100 98.112 -10.006 6.679 1.00 0.00 N ATOM 0 H ARG A 100 95.403 -4.999 2.393 1.00 0.00 H new ATOM 0 HA ARG A 100 94.364 -4.338 5.038 1.00 0.00 H new ATOM 0 HB2 ARG A 100 95.827 -6.327 4.016 1.00 0.00 H new ATOM 0 HB3 ARG A 100 97.178 -5.235 4.251 1.00 0.00 H new ATOM 0 HG2 ARG A 100 96.132 -4.946 6.699 1.00 0.00 H new ATOM 0 HG3 ARG A 100 95.364 -6.479 6.339 1.00 0.00 H new ATOM 0 HD2 ARG A 100 98.216 -6.519 5.559 1.00 0.00 H new ATOM 0 HD3 ARG A 100 98.029 -6.130 7.257 1.00 0.00 H new ATOM 0 HE ARG A 100 96.177 -8.282 6.466 1.00 0.00 H new ATOM 0 HH11 ARG A 100 98.628 -7.517 8.596 1.00 0.00 H new ATOM 0 HH12 ARG A 100 99.397 -9.107 8.598 1.00 0.00 H new ATOM 0 HH21 ARG A 100 97.537 -10.286 5.885 1.00 0.00 H new ATOM 0 HH22 ARG A 100 98.785 -10.661 7.078 1.00 0.00 H new ATOM 1472 N ASN A 101 96.874 -2.555 3.908 1.00 0.00 N ATOM 1473 CA ASN A 101 97.611 -1.288 4.184 1.00 0.00 C ATOM 1474 C ASN A 101 96.634 -0.112 4.254 1.00 0.00 C ATOM 1475 O ASN A 101 96.845 0.839 4.980 1.00 0.00 O ATOM 1476 CB ASN A 101 98.566 -1.123 3.001 1.00 0.00 C ATOM 1477 CG ASN A 101 99.831 -1.936 3.250 1.00 0.00 C ATOM 1478 OD1 ASN A 101 99.974 -2.566 4.278 1.00 0.00 O ATOM 1479 ND2 ASN A 101 100.763 -1.947 2.340 1.00 0.00 N ATOM 0 H ASN A 101 97.140 -3.034 3.048 1.00 0.00 H new ATOM 0 HA ASN A 101 98.141 -1.316 5.136 1.00 0.00 H new ATOM 0 HB2 ASN A 101 98.083 -1.454 2.082 1.00 0.00 H new ATOM 0 HB3 ASN A 101 98.818 -0.071 2.867 1.00 0.00 H new ATOM 0 HD21 ASN A 101 101.616 -2.486 2.490 1.00 0.00 H new ATOM 0 HD22 ASN A 101 100.640 -1.417 1.477 1.00 0.00 H new ATOM 1486 N ALA A 102 95.568 -0.168 3.502 1.00 0.00 N ATOM 1487 CA ALA A 102 94.580 0.949 3.526 1.00 0.00 C ATOM 1488 C ALA A 102 93.739 0.884 4.805 1.00 0.00 C ATOM 1489 O ALA A 102 93.541 1.875 5.479 1.00 0.00 O ATOM 1490 CB ALA A 102 93.702 0.727 2.295 1.00 0.00 C ATOM 0 H ALA A 102 95.339 -0.938 2.873 1.00 0.00 H new ATOM 0 HA ALA A 102 95.061 1.927 3.512 1.00 0.00 H new ATOM 0 HB1 ALA A 102 92.946 1.511 2.241 1.00 0.00 H new ATOM 0 HB2 ALA A 102 94.320 0.756 1.397 1.00 0.00 H new ATOM 0 HB3 ALA A 102 93.213 -0.244 2.368 1.00 0.00 H new ATOM 1496 N ALA A 103 93.244 -0.275 5.142 1.00 0.00 N ATOM 1497 CA ALA A 103 92.416 -0.400 6.377 1.00 0.00 C ATOM 1498 C ALA A 103 93.265 -0.104 7.618 1.00 0.00 C ATOM 1499 O ALA A 103 92.794 0.459 8.585 1.00 0.00 O ATOM 1500 CB ALA A 103 91.934 -1.851 6.385 1.00 0.00 C ATOM 0 H ALA A 103 93.376 -1.140 4.618 1.00 0.00 H new ATOM 0 HA ALA A 103 91.584 0.304 6.390 1.00 0.00 H new ATOM 0 HB1 ALA A 103 91.316 -2.024 7.266 1.00 0.00 H new ATOM 0 HB2 ALA A 103 91.348 -2.045 5.487 1.00 0.00 H new ATOM 0 HB3 ALA A 103 92.794 -2.520 6.408 1.00 0.00 H new ATOM 1506 N ILE A 104 94.516 -0.479 7.597 1.00 0.00 N ATOM 1507 CA ILE A 104 95.390 -0.215 8.777 1.00 0.00 C ATOM 1508 C ILE A 104 95.609 1.292 8.942 1.00 0.00 C ATOM 1509 O ILE A 104 95.717 1.796 10.041 1.00 0.00 O ATOM 1510 CB ILE A 104 96.712 -0.915 8.462 1.00 0.00 C ATOM 1511 CG1 ILE A 104 96.499 -2.431 8.462 1.00 0.00 C ATOM 1512 CG2 ILE A 104 97.752 -0.549 9.523 1.00 0.00 C ATOM 1513 CD1 ILE A 104 97.749 -3.122 7.915 1.00 0.00 C ATOM 0 H ILE A 104 94.969 -0.955 6.817 1.00 0.00 H new ATOM 0 HA ILE A 104 94.950 -0.579 9.705 1.00 0.00 H new ATOM 0 HB ILE A 104 97.065 -0.595 7.482 1.00 0.00 H new ATOM 0 HG12 ILE A 104 96.291 -2.780 9.474 1.00 0.00 H new ATOM 0 HG13 ILE A 104 95.633 -2.687 7.852 1.00 0.00 H new ATOM 0 HG21 ILE A 104 98.694 -1.049 9.297 1.00 0.00 H new ATOM 0 HG22 ILE A 104 97.905 0.530 9.525 1.00 0.00 H new ATOM 0 HG23 ILE A 104 97.399 -0.867 10.504 1.00 0.00 H new ATOM 0 HD11 ILE A 104 97.597 -4.201 7.915 1.00 0.00 H new ATOM 0 HD12 ILE A 104 97.937 -2.782 6.897 1.00 0.00 H new ATOM 0 HD13 ILE A 104 98.605 -2.876 8.543 1.00 0.00 H new ATOM 1525 N CYS A 105 95.674 2.016 7.857 1.00 0.00 N ATOM 1526 CA CYS A 105 95.885 3.486 7.958 1.00 0.00 C ATOM 1527 C CYS A 105 94.695 4.126 8.677 1.00 0.00 C ATOM 1528 O CYS A 105 94.856 4.919 9.583 1.00 0.00 O ATOM 1529 CB CYS A 105 95.975 3.977 6.514 1.00 0.00 C ATOM 1530 SG CYS A 105 96.814 5.579 6.474 1.00 0.00 S ATOM 0 H CYS A 105 95.590 1.653 6.908 1.00 0.00 H new ATOM 0 HA CYS A 105 96.780 3.744 8.523 1.00 0.00 H new ATOM 0 HB2 CYS A 105 96.519 3.254 5.906 1.00 0.00 H new ATOM 0 HB3 CYS A 105 94.977 4.066 6.086 1.00 0.00 H new ATOM 1535 N PHE A 106 93.499 3.771 8.289 1.00 0.00 N ATOM 1536 CA PHE A 106 92.302 4.341 8.956 1.00 0.00 C ATOM 1537 C PHE A 106 92.430 4.156 10.466 1.00 0.00 C ATOM 1538 O PHE A 106 92.085 5.019 11.248 1.00 0.00 O ATOM 1539 CB PHE A 106 91.125 3.518 8.430 1.00 0.00 C ATOM 1540 CG PHE A 106 91.066 3.588 6.921 1.00 0.00 C ATOM 1541 CD1 PHE A 106 91.730 4.611 6.232 1.00 0.00 C ATOM 1542 CD2 PHE A 106 90.341 2.624 6.210 1.00 0.00 C ATOM 1543 CE1 PHE A 106 91.667 4.668 4.835 1.00 0.00 C ATOM 1544 CE2 PHE A 106 90.277 2.682 4.814 1.00 0.00 C ATOM 1545 CZ PHE A 106 90.940 3.704 4.126 1.00 0.00 C ATOM 0 H PHE A 106 93.303 3.110 7.537 1.00 0.00 H new ATOM 0 HA PHE A 106 92.179 5.405 8.756 1.00 0.00 H new ATOM 0 HB2 PHE A 106 91.227 2.481 8.749 1.00 0.00 H new ATOM 0 HB3 PHE A 106 90.193 3.892 8.855 1.00 0.00 H new ATOM 0 HD1 PHE A 106 92.290 5.355 6.778 1.00 0.00 H new ATOM 0 HD2 PHE A 106 89.830 1.834 6.741 1.00 0.00 H new ATOM 0 HE1 PHE A 106 92.180 5.456 4.303 1.00 0.00 H new ATOM 0 HE2 PHE A 106 89.716 1.938 4.267 1.00 0.00 H new ATOM 0 HZ PHE A 106 90.891 3.749 3.048 1.00 0.00 H new ATOM 1555 N SER A 107 92.923 3.020 10.872 1.00 0.00 N ATOM 1556 CA SER A 107 93.079 2.743 12.329 1.00 0.00 C ATOM 1557 C SER A 107 94.397 3.324 12.849 1.00 0.00 C ATOM 1558 O SER A 107 94.636 3.370 14.039 1.00 0.00 O ATOM 1559 CB SER A 107 93.088 1.219 12.434 1.00 0.00 C ATOM 1560 OG SER A 107 94.090 0.697 11.571 1.00 0.00 O ATOM 0 H SER A 107 93.227 2.267 10.255 1.00 0.00 H new ATOM 0 HA SER A 107 92.284 3.194 12.922 1.00 0.00 H new ATOM 0 HB2 SER A 107 93.282 0.915 13.462 1.00 0.00 H new ATOM 0 HB3 SER A 107 92.112 0.818 12.162 1.00 0.00 H new ATOM 0 HG SER A 107 94.696 1.418 11.300 1.00 0.00 H new ATOM 1566 N LYS A 108 95.257 3.766 11.972 1.00 0.00 N ATOM 1567 CA LYS A 108 96.556 4.340 12.428 1.00 0.00 C ATOM 1568 C LYS A 108 96.531 5.867 12.315 1.00 0.00 C ATOM 1569 O LYS A 108 97.326 6.556 12.920 1.00 0.00 O ATOM 1570 CB LYS A 108 97.605 3.751 11.485 1.00 0.00 C ATOM 1571 CG LYS A 108 98.063 2.390 12.015 1.00 0.00 C ATOM 1572 CD LYS A 108 98.654 2.556 13.416 1.00 0.00 C ATOM 1573 CE LYS A 108 100.133 2.161 13.399 1.00 0.00 C ATOM 1574 NZ LYS A 108 100.389 1.568 14.742 1.00 0.00 N ATOM 0 H LYS A 108 95.117 3.755 10.962 1.00 0.00 H new ATOM 0 HA LYS A 108 96.766 4.102 13.471 1.00 0.00 H new ATOM 0 HB2 LYS A 108 97.188 3.642 10.484 1.00 0.00 H new ATOM 0 HB3 LYS A 108 98.456 4.427 11.404 1.00 0.00 H new ATOM 0 HG2 LYS A 108 97.221 1.698 12.044 1.00 0.00 H new ATOM 0 HG3 LYS A 108 98.807 1.959 11.345 1.00 0.00 H new ATOM 0 HD2 LYS A 108 98.547 3.589 13.747 1.00 0.00 H new ATOM 0 HD3 LYS A 108 98.109 1.935 14.127 1.00 0.00 H new ATOM 0 HE2 LYS A 108 100.341 1.444 12.605 1.00 0.00 H new ATOM 0 HE3 LYS A 108 100.771 3.027 13.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 101.384 1.272 14.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 100.189 2.275 15.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 99.773 0.742 14.880 1.00 0.00 H new ATOM 1588 N VAL A 109 95.624 6.399 11.543 1.00 0.00 N ATOM 1589 CA VAL A 109 95.550 7.880 11.392 1.00 0.00 C ATOM 1590 C VAL A 109 94.205 8.397 11.912 1.00 0.00 C ATOM 1591 O VAL A 109 93.254 7.648 12.024 1.00 0.00 O ATOM 1592 CB VAL A 109 95.685 8.128 9.889 1.00 0.00 C ATOM 1593 CG1 VAL A 109 96.836 7.284 9.337 1.00 0.00 C ATOM 1594 CG2 VAL A 109 94.386 7.736 9.185 1.00 0.00 C ATOM 0 H VAL A 109 94.931 5.873 11.010 1.00 0.00 H new ATOM 0 HA VAL A 109 96.324 8.397 11.959 1.00 0.00 H new ATOM 0 HB VAL A 109 95.887 9.184 9.713 1.00 0.00 H new ATOM 0 HG11 VAL A 109 96.934 7.459 8.266 1.00 0.00 H new ATOM 0 HG12 VAL A 109 97.764 7.563 9.837 1.00 0.00 H new ATOM 0 HG13 VAL A 109 96.631 6.228 9.515 1.00 0.00 H new ATOM 0 HG21 VAL A 109 94.485 7.914 8.114 1.00 0.00 H new ATOM 0 HG22 VAL A 109 94.182 6.680 9.360 1.00 0.00 H new ATOM 0 HG23 VAL A 109 93.564 8.335 9.578 1.00 0.00 H new ATOM 1604 N PRO A 110 94.176 9.665 12.222 1.00 0.00 N ATOM 1605 CA PRO A 110 92.939 10.295 12.747 1.00 0.00 C ATOM 1606 C PRO A 110 91.898 10.456 11.635 1.00 0.00 C ATOM 1607 O PRO A 110 92.190 10.291 10.467 1.00 0.00 O ATOM 1608 CB PRO A 110 93.416 11.656 13.247 1.00 0.00 C ATOM 1609 CG PRO A 110 94.653 11.949 12.459 1.00 0.00 C ATOM 1610 CD PRO A 110 95.282 10.623 12.113 1.00 0.00 C ATOM 0 HA PRO A 110 92.457 9.703 13.525 1.00 0.00 H new ATOM 0 HB2 PRO A 110 92.657 12.422 13.089 1.00 0.00 H new ATOM 0 HB3 PRO A 110 93.626 11.632 14.316 1.00 0.00 H new ATOM 0 HG2 PRO A 110 94.411 12.508 11.555 1.00 0.00 H new ATOM 0 HG3 PRO A 110 95.342 12.563 13.038 1.00 0.00 H new ATOM 0 HD2 PRO A 110 95.704 10.632 11.108 1.00 0.00 H new ATOM 0 HD3 PRO A 110 96.093 10.375 12.798 1.00 0.00 H new ATOM 1618 N TYR A 111 90.685 10.780 11.992 1.00 0.00 N ATOM 1619 CA TYR A 111 89.621 10.956 10.962 1.00 0.00 C ATOM 1620 C TYR A 111 89.041 12.372 11.048 1.00 0.00 C ATOM 1621 O TYR A 111 88.951 12.952 12.113 1.00 0.00 O ATOM 1622 CB TYR A 111 88.557 9.909 11.307 1.00 0.00 C ATOM 1623 CG TYR A 111 87.240 10.283 10.667 1.00 0.00 C ATOM 1624 CD1 TYR A 111 86.933 9.834 9.377 1.00 0.00 C ATOM 1625 CD2 TYR A 111 86.325 11.082 11.365 1.00 0.00 C ATOM 1626 CE1 TYR A 111 85.713 10.183 8.786 1.00 0.00 C ATOM 1627 CE2 TYR A 111 85.104 11.429 10.774 1.00 0.00 C ATOM 1628 CZ TYR A 111 84.798 10.979 9.485 1.00 0.00 C ATOM 1629 OH TYR A 111 83.596 11.323 8.903 1.00 0.00 O ATOM 0 H TYR A 111 90.384 10.931 12.955 1.00 0.00 H new ATOM 0 HA TYR A 111 89.996 10.828 9.947 1.00 0.00 H new ATOM 0 HB2 TYR A 111 88.875 8.926 10.958 1.00 0.00 H new ATOM 0 HB3 TYR A 111 88.439 9.840 12.388 1.00 0.00 H new ATOM 0 HD1 TYR A 111 87.638 9.218 8.838 1.00 0.00 H new ATOM 0 HD2 TYR A 111 86.562 11.430 12.359 1.00 0.00 H new ATOM 0 HE1 TYR A 111 85.478 9.838 7.790 1.00 0.00 H new ATOM 0 HE2 TYR A 111 84.399 12.044 11.313 1.00 0.00 H new ATOM 0 HH TYR A 111 82.927 10.635 9.102 1.00 0.00 H new ATOM 1639 N ASN A 112 88.647 12.932 9.938 1.00 0.00 N ATOM 1640 CA ASN A 112 88.072 14.309 9.957 1.00 0.00 C ATOM 1641 C ASN A 112 86.718 14.324 9.243 1.00 0.00 C ATOM 1642 O ASN A 112 86.604 13.933 8.099 1.00 0.00 O ATOM 1643 CB ASN A 112 89.085 15.168 9.200 1.00 0.00 C ATOM 1644 CG ASN A 112 90.210 15.588 10.148 1.00 0.00 C ATOM 1645 OD1 ASN A 112 90.126 16.615 10.793 1.00 0.00 O ATOM 1646 ND2 ASN A 112 91.267 14.831 10.261 1.00 0.00 N ATOM 0 H ASN A 112 88.698 12.496 9.017 1.00 0.00 H new ATOM 0 HA ASN A 112 87.902 14.674 10.970 1.00 0.00 H new ATOM 0 HB2 ASN A 112 89.494 14.609 8.358 1.00 0.00 H new ATOM 0 HB3 ASN A 112 88.594 16.050 8.788 1.00 0.00 H new ATOM 0 HD21 ASN A 112 92.023 15.101 10.891 1.00 0.00 H new ATOM 0 HD22 ASN A 112 91.337 13.969 9.720 1.00 0.00 H new ATOM 1653 N LYS A 113 85.693 14.774 9.911 1.00 0.00 N ATOM 1654 CA LYS A 113 84.348 14.818 9.272 1.00 0.00 C ATOM 1655 C LYS A 113 84.163 16.144 8.534 1.00 0.00 C ATOM 1656 O LYS A 113 83.342 16.265 7.646 1.00 0.00 O ATOM 1657 CB LYS A 113 83.357 14.709 10.430 1.00 0.00 C ATOM 1658 CG LYS A 113 83.388 16.001 11.247 1.00 0.00 C ATOM 1659 CD LYS A 113 83.514 15.664 12.734 1.00 0.00 C ATOM 1660 CE LYS A 113 84.100 16.865 13.481 1.00 0.00 C ATOM 1661 NZ LYS A 113 83.820 16.598 14.918 1.00 0.00 N ATOM 0 H LYS A 113 85.728 15.113 10.872 1.00 0.00 H new ATOM 0 HA LYS A 113 84.210 14.022 8.541 1.00 0.00 H new ATOM 0 HB2 LYS A 113 82.352 14.531 10.048 1.00 0.00 H new ATOM 0 HB3 LYS A 113 83.612 13.859 11.063 1.00 0.00 H new ATOM 0 HG2 LYS A 113 84.226 16.622 10.932 1.00 0.00 H new ATOM 0 HG3 LYS A 113 82.480 16.577 11.070 1.00 0.00 H new ATOM 0 HD2 LYS A 113 82.537 15.408 13.144 1.00 0.00 H new ATOM 0 HD3 LYS A 113 84.154 14.792 12.867 1.00 0.00 H new ATOM 0 HE2 LYS A 113 85.170 16.960 13.298 1.00 0.00 H new ATOM 0 HE3 LYS A 113 83.637 17.797 13.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 84.192 17.379 15.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 82.793 16.520 15.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 84.278 15.709 15.202 1.00 0.00 H new ATOM 1675 N GLU A 114 84.921 17.144 8.895 1.00 0.00 N ATOM 1676 CA GLU A 114 84.790 18.458 8.219 1.00 0.00 C ATOM 1677 C GLU A 114 85.311 18.366 6.787 1.00 0.00 C ATOM 1678 O GLU A 114 84.899 19.103 5.914 1.00 0.00 O ATOM 1679 CB GLU A 114 85.646 19.420 9.044 1.00 0.00 C ATOM 1680 CG GLU A 114 85.056 20.828 8.955 1.00 0.00 C ATOM 1681 CD GLU A 114 86.103 21.850 9.405 1.00 0.00 C ATOM 1682 OE1 GLU A 114 86.260 22.019 10.602 1.00 0.00 O ATOM 1683 OE2 GLU A 114 86.727 22.446 8.544 1.00 0.00 O ATOM 0 H GLU A 114 85.626 17.103 9.631 1.00 0.00 H new ATOM 0 HA GLU A 114 83.754 18.790 8.159 1.00 0.00 H new ATOM 0 HB2 GLU A 114 85.681 19.093 10.083 1.00 0.00 H new ATOM 0 HB3 GLU A 114 86.672 19.419 8.675 1.00 0.00 H new ATOM 0 HG2 GLU A 114 84.743 21.039 7.932 1.00 0.00 H new ATOM 0 HG3 GLU A 114 84.167 20.902 9.582 1.00 0.00 H new ATOM 1690 N HIS A 115 86.213 17.459 6.539 1.00 0.00 N ATOM 1691 CA HIS A 115 86.762 17.312 5.164 1.00 0.00 C ATOM 1692 C HIS A 115 85.922 16.305 4.374 1.00 0.00 C ATOM 1693 O HIS A 115 86.257 15.935 3.266 1.00 0.00 O ATOM 1694 CB HIS A 115 88.184 16.788 5.366 1.00 0.00 C ATOM 1695 CG HIS A 115 89.058 17.898 5.883 1.00 0.00 C ATOM 1696 ND1 HIS A 115 89.485 18.216 7.150 1.00 0.00 N flip ATOM 1697 CD2 HIS A 115 89.611 18.855 5.047 1.00 0.00 C flip ATOM 1698 CE1 HIS A 115 90.290 19.351 7.101 1.00 0.00 C flip ATOM 1699 NE2 HIS A 115 90.332 19.695 5.811 1.00 0.00 N flip ATOM 0 H HIS A 115 86.594 16.813 7.230 1.00 0.00 H new ATOM 0 HA HIS A 115 86.749 18.247 4.604 1.00 0.00 H new ATOM 0 HB2 HIS A 115 88.180 15.956 6.070 1.00 0.00 H new ATOM 0 HB3 HIS A 115 88.580 16.407 4.425 1.00 0.00 H new ATOM 0 HD2 HIS A 115 89.486 18.915 3.976 1.00 0.00 H new ATOM 0 HE1 HIS A 115 90.776 19.847 7.928 1.00 0.00 H new ATOM 0 HE2 HIS A 115 90.848 20.497 5.449 1.00 0.00 H new ATOM 1707 N LYS A 116 84.833 15.857 4.939 1.00 0.00 N ATOM 1708 CA LYS A 116 83.970 14.880 4.233 1.00 0.00 C ATOM 1709 C LYS A 116 83.468 15.471 2.913 1.00 0.00 C ATOM 1710 O LYS A 116 83.093 16.624 2.841 1.00 0.00 O ATOM 1711 CB LYS A 116 82.815 14.647 5.198 1.00 0.00 C ATOM 1712 CG LYS A 116 82.240 13.254 4.976 1.00 0.00 C ATOM 1713 CD LYS A 116 81.488 12.804 6.230 1.00 0.00 C ATOM 1714 CE LYS A 116 81.203 11.303 6.144 1.00 0.00 C ATOM 1715 NZ LYS A 116 79.967 11.193 5.320 1.00 0.00 N ATOM 0 H LYS A 116 84.506 16.131 5.866 1.00 0.00 H new ATOM 0 HA LYS A 116 84.491 13.958 3.977 1.00 0.00 H new ATOM 0 HB2 LYS A 116 83.160 14.750 6.227 1.00 0.00 H new ATOM 0 HB3 LYS A 116 82.042 15.400 5.045 1.00 0.00 H new ATOM 0 HG2 LYS A 116 81.567 13.260 4.118 1.00 0.00 H new ATOM 0 HG3 LYS A 116 83.041 12.551 4.748 1.00 0.00 H new ATOM 0 HD2 LYS A 116 82.079 13.022 7.119 1.00 0.00 H new ATOM 0 HD3 LYS A 116 80.554 13.357 6.325 1.00 0.00 H new ATOM 0 HE2 LYS A 116 82.034 10.769 5.683 1.00 0.00 H new ATOM 0 HE3 LYS A 116 81.057 10.871 7.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 79.707 10.191 5.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 79.192 11.705 5.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 80.138 11.606 4.381 1.00 0.00 H new ATOM 1729 N ASN A 117 83.459 14.690 1.866 1.00 0.00 N ATOM 1730 CA ASN A 117 82.983 15.213 0.555 1.00 0.00 C ATOM 1731 C ASN A 117 83.686 16.533 0.231 1.00 0.00 C ATOM 1732 O ASN A 117 83.092 17.591 0.280 1.00 0.00 O ATOM 1733 CB ASN A 117 81.482 15.436 0.739 1.00 0.00 C ATOM 1734 CG ASN A 117 80.831 14.145 1.238 1.00 0.00 C ATOM 1735 OD1 ASN A 117 81.170 13.068 0.792 1.00 0.00 O ATOM 1736 ND2 ASN A 117 79.903 14.210 2.155 1.00 0.00 N ATOM 0 H ASN A 117 83.760 13.715 1.863 1.00 0.00 H new ATOM 0 HA ASN A 117 83.194 14.528 -0.266 1.00 0.00 H new ATOM 0 HB2 ASN A 117 81.308 16.242 1.452 1.00 0.00 H new ATOM 0 HB3 ASN A 117 81.031 15.742 -0.205 1.00 0.00 H new ATOM 0 HD21 ASN A 117 79.463 13.356 2.497 1.00 0.00 H new ATOM 0 HD22 ASN A 117 79.619 15.115 2.529 1.00 0.00 H new ATOM 1743 N LEU A 118 84.948 16.481 -0.097 1.00 0.00 N ATOM 1744 CA LEU A 118 85.690 17.705 -0.416 1.00 0.00 C ATOM 1745 C LEU A 118 85.207 18.261 -1.758 1.00 0.00 C ATOM 1746 O LEU A 118 84.443 17.636 -2.468 1.00 0.00 O ATOM 1747 CB LEU A 118 87.139 17.214 -0.469 1.00 0.00 C ATOM 1748 CG LEU A 118 87.971 18.025 -1.449 1.00 0.00 C ATOM 1749 CD1 LEU A 118 88.348 19.371 -0.828 1.00 0.00 C ATOM 1750 CD2 LEU A 118 89.248 17.253 -1.788 1.00 0.00 C ATOM 0 H LEU A 118 85.494 15.621 -0.155 1.00 0.00 H new ATOM 0 HA LEU A 118 85.561 18.519 0.297 1.00 0.00 H new ATOM 0 HB2 LEU A 118 87.582 17.278 0.525 1.00 0.00 H new ATOM 0 HB3 LEU A 118 87.157 16.163 -0.759 1.00 0.00 H new ATOM 0 HG LEU A 118 87.389 18.198 -2.354 1.00 0.00 H new ATOM 0 HD11 LEU A 118 88.944 19.945 -1.538 1.00 0.00 H new ATOM 0 HD12 LEU A 118 87.442 19.925 -0.583 1.00 0.00 H new ATOM 0 HD13 LEU A 118 88.927 19.203 0.080 1.00 0.00 H new ATOM 0 HD21 LEU A 118 89.847 17.832 -2.491 1.00 0.00 H new ATOM 0 HD22 LEU A 118 89.822 17.081 -0.877 1.00 0.00 H new ATOM 0 HD23 LEU A 118 88.986 16.295 -2.238 1.00 0.00 H new ATOM 1762 N ASP A 119 85.648 19.430 -2.100 1.00 0.00 N ATOM 1763 CA ASP A 119 85.230 20.053 -3.389 1.00 0.00 C ATOM 1764 C ASP A 119 86.267 19.771 -4.479 1.00 0.00 C ATOM 1765 O ASP A 119 87.433 20.080 -4.334 1.00 0.00 O ATOM 1766 CB ASP A 119 85.159 21.552 -3.093 1.00 0.00 C ATOM 1767 CG ASP A 119 84.442 22.269 -4.239 1.00 0.00 C ATOM 1768 OD1 ASP A 119 84.385 21.706 -5.319 1.00 0.00 O ATOM 1769 OD2 ASP A 119 83.963 23.369 -4.016 1.00 0.00 O ATOM 0 H ASP A 119 86.288 19.992 -1.539 1.00 0.00 H new ATOM 0 HA ASP A 119 84.280 19.659 -3.749 1.00 0.00 H new ATOM 0 HB2 ASP A 119 84.629 21.723 -2.156 1.00 0.00 H new ATOM 0 HB3 ASP A 119 86.164 21.956 -2.970 1.00 0.00 H new ATOM 1774 N LYS A 120 85.852 19.188 -5.571 1.00 0.00 N ATOM 1775 CA LYS A 120 86.813 18.891 -6.666 1.00 0.00 C ATOM 1776 C LYS A 120 87.506 20.178 -7.124 1.00 0.00 C ATOM 1777 O LYS A 120 88.531 20.145 -7.776 1.00 0.00 O ATOM 1778 CB LYS A 120 85.963 18.305 -7.794 1.00 0.00 C ATOM 1779 CG LYS A 120 85.884 16.785 -7.636 1.00 0.00 C ATOM 1780 CD LYS A 120 84.419 16.354 -7.548 1.00 0.00 C ATOM 1781 CE LYS A 120 83.698 16.726 -8.846 1.00 0.00 C ATOM 1782 NZ LYS A 120 82.375 16.048 -8.758 1.00 0.00 N ATOM 0 H LYS A 120 84.888 18.905 -5.750 1.00 0.00 H new ATOM 0 HA LYS A 120 87.598 18.203 -6.352 1.00 0.00 H new ATOM 0 HB2 LYS A 120 84.962 18.736 -7.771 1.00 0.00 H new ATOM 0 HB3 LYS A 120 86.398 18.559 -8.761 1.00 0.00 H new ATOM 0 HG2 LYS A 120 86.367 16.296 -8.482 1.00 0.00 H new ATOM 0 HG3 LYS A 120 86.420 16.474 -6.739 1.00 0.00 H new ATOM 0 HD2 LYS A 120 84.355 15.279 -7.379 1.00 0.00 H new ATOM 0 HD3 LYS A 120 83.936 16.839 -6.700 1.00 0.00 H new ATOM 0 HE2 LYS A 120 83.583 17.806 -8.938 1.00 0.00 H new ATOM 0 HE3 LYS A 120 84.257 16.389 -9.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 81.821 16.256 -9.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 82.516 15.021 -8.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 81.863 16.394 -7.921 1.00 0.00 H new ATOM 1796 N LYS A 121 86.953 21.312 -6.786 1.00 0.00 N ATOM 1797 CA LYS A 121 87.579 22.602 -7.198 1.00 0.00 C ATOM 1798 C LYS A 121 88.920 22.785 -6.505 1.00 0.00 C ATOM 1799 O LYS A 121 89.731 23.606 -6.885 1.00 0.00 O ATOM 1800 CB LYS A 121 86.600 23.675 -6.744 1.00 0.00 C ATOM 1801 CG LYS A 121 85.955 24.310 -7.967 1.00 0.00 C ATOM 1802 CD LYS A 121 86.456 25.746 -8.121 1.00 0.00 C ATOM 1803 CE LYS A 121 85.991 26.307 -9.467 1.00 0.00 C ATOM 1804 NZ LYS A 121 84.505 26.346 -9.374 1.00 0.00 N ATOM 0 H LYS A 121 86.095 21.401 -6.242 1.00 0.00 H new ATOM 0 HA LYS A 121 87.767 22.643 -8.271 1.00 0.00 H new ATOM 0 HB2 LYS A 121 85.836 23.239 -6.100 1.00 0.00 H new ATOM 0 HB3 LYS A 121 87.118 24.433 -6.156 1.00 0.00 H new ATOM 0 HG2 LYS A 121 86.196 23.732 -8.859 1.00 0.00 H new ATOM 0 HG3 LYS A 121 84.870 24.301 -7.865 1.00 0.00 H new ATOM 0 HD2 LYS A 121 86.077 26.364 -7.307 1.00 0.00 H new ATOM 0 HD3 LYS A 121 87.544 25.771 -8.061 1.00 0.00 H new ATOM 0 HE2 LYS A 121 86.402 27.301 -9.644 1.00 0.00 H new ATOM 0 HE3 LYS A 121 86.319 25.675 -10.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 84.131 27.022 -10.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 84.120 25.400 -9.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 84.225 26.644 -8.418 1.00 0.00 H new ATOM 1818 N ASN A 122 89.167 21.997 -5.513 1.00 0.00 N ATOM 1819 CA ASN A 122 90.462 22.074 -4.797 1.00 0.00 C ATOM 1820 C ASN A 122 91.386 21.016 -5.380 1.00 0.00 C ATOM 1821 O ASN A 122 92.565 20.955 -5.094 1.00 0.00 O ATOM 1822 CB ASN A 122 90.129 21.737 -3.350 1.00 0.00 C ATOM 1823 CG ASN A 122 89.815 23.019 -2.576 1.00 0.00 C ATOM 1824 OD1 ASN A 122 90.672 23.865 -2.406 1.00 0.00 O ATOM 1825 ND2 ASN A 122 88.615 23.200 -2.097 1.00 0.00 N ATOM 0 H ASN A 122 88.521 21.292 -5.160 1.00 0.00 H new ATOM 0 HA ASN A 122 90.949 23.046 -4.881 1.00 0.00 H new ATOM 0 HB2 ASN A 122 89.275 21.061 -3.312 1.00 0.00 H new ATOM 0 HB3 ASN A 122 90.968 21.218 -2.886 1.00 0.00 H new ATOM 0 HD21 ASN A 122 88.395 24.051 -1.580 1.00 0.00 H new ATOM 0 HD22 ASN A 122 87.896 22.490 -2.240 1.00 0.00 H new ATOM 1832 N CYS A 123 90.825 20.171 -6.189 1.00 0.00 N ATOM 1833 CA CYS A 123 91.603 19.077 -6.811 1.00 0.00 C ATOM 1834 C CYS A 123 91.722 19.294 -8.323 1.00 0.00 C ATOM 1835 O CYS A 123 92.525 18.613 -8.938 1.00 0.00 O ATOM 1836 CB CYS A 123 90.771 17.838 -6.502 1.00 0.00 C ATOM 1837 SG CYS A 123 91.330 17.107 -4.945 1.00 0.00 S ATOM 1838 OXT CYS A 123 91.007 20.137 -8.838 1.00 0.00 O ATOM 0 H CYS A 123 89.839 20.194 -6.450 1.00 0.00 H new ATOM 0 HA CYS A 123 92.625 19.007 -6.437 1.00 0.00 H new ATOM 0 HB2 CYS A 123 89.716 18.104 -6.433 1.00 0.00 H new ATOM 0 HB3 CYS A 123 90.865 17.113 -7.311 1.00 0.00 H new TER 1843 CYS A 123